643	727	952	0:SP2_SP2_SP3	C[6a]	C[5,6a]	S	3:3:4:	3:3:2:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:N-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(SNOO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]S)(O[5]C[5,6])	S(C[6a]C[5,6a]C[6a])(NCH)(O)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(SNOO){1|Br<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]S)(O[5]C[5,6]){1|C<3>,3|C<4>,3|H<1>}	S(C[6a]C[5,6a]C[6a])(NCH)(O)2	121.8420	0.000	1	122.5290	0.944	2	122.5290	0.944	2	122.5290	0.944	2	122.4360	2.830	9	122.6723	3.236	11
643	727	952	0:SP2_SP2_SP3	C[6a]	C[5,6a]	S	3:3:4:	3:3:2:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S-4:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:N-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(SNOO)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]S)(O[5]C[5,6])	S(C[6a]C[5,6a]C[6a])(NCH)(O)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(SNOO){1|Br<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]S)(O[5]C[5,6]){1|C<4>,3|C<3>,3|H<1>}	S(C[6a]C[5,6a]C[6a])(NCH)(O)2	123.2160	0.000	1	122.5290	0.944	2	122.5290	0.944	2	122.5290	0.944	2	122.4360	2.830	9	122.6723	3.236	11
643	727	952	0:SP2_SP2_SP3	C[6a]	C[5,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S-4:	C[5,6a]-3:C[6a]-3:Ge[5]-3:	C[6a]-3:C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]S)(Ge[5]O[5]Cl)	S(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O)2	C[6a](C[5,6a]C[5,6a]Ge[5])(C[6a]C[6a]H)(SC[6a]OO){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>,1|S<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]S)(Ge[5]O[5]Cl){2|C<3>,2|H<1>}	S(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O)2	119.1600	0.000	1	119.1600	0.000	1	119.1600	0.000	1	122.7523	9.984	3	122.4360	2.830	9	122.6723	3.236	11
643	727	952	0:SP2_SP2_SP3	C[6a]	C[5,6a]	S	3:3:4:	3:3:3:	3:3:1:1:	C[5,6a]-3:C[6a]-3:S-4:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(SC[6a]OO)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]S)	S(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(SC[6a]OO){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]S){1|C<3>,2|N<2>,6|H<1>}	S(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O)2	124.5485	0.781	2	124.5485	0.611	2	124.5485	0.611	2	122.7523	9.984	3	122.4360	2.830	9	122.6723	3.236	11
643	727	952	0:SP2_SP2_SP3	C[6a]	C[5,6a]	S	3:3:4:	3:3:4:	3:1:1:1:	C[5,6a]-3:C[5,6a]-3:S-4:	C[5,6a]-3:C[6a]-3:S[5]-4:	C[6a]-3:O-1:O-1:O-1:	C[6a](C[5,6a]C[5,6a]S[5])2(SO3)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]S)(S[5]O[5]OO)	S(C[6a]C[5,6a]2)(O)3	C[6a](C[5,6a]C[5,6a]S[5])2(SO3){1|C<3>,2|O<2>,2|S<4>,4|O<1>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5,6a]S)(S[5]O[5]OO){1|C<3>,2|O<1>,2|S<4>}	S(C[6a]C[5,6a]2)(O)3	122.1522	0.602	4	122.1522	0.363	4	122.1522	0.363	4	122.1522	0.363	4	122.4360	2.830	9	122.6723	3.236	11
643	727	952	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	S	3:3:4:	3:3:3:	3:4:1:1:	C[5a,6a]-3:C[6a]-3:S-4:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-4:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(SCOO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]S)(N[5a]C[5a]H)	S(C[6a]C[5a,6a]C[6a])(CH3)(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(SCOO){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]S)(N[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	S(C[6a]C[5a,6a]C[6a])(CH3)(O)2	121.8710	0.000	1	121.8710	0.000	1	121.8710	0.000	1	123.7355	6.953	2	123.7355	6.953	2	122.6723	3.236	11
643	727	952	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	S	3:3:4:	3:3:3:	3:4:1:1:	C[5a,6a]-3:C[6a]-3:S-4:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C-4:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(SCOO)	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]S)	S(C[6a]C[5a,6a]C[6a])(CH3)(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(SCOO){1|C<4>,1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(C[6a]C[6a]S){1|C<4>,2|C<3>,2|H<1>}	S(C[6a]C[5a,6a]C[6a])(CH3)(O)2	125.6000	0.000	1	125.6000	0.000	1	125.6000	0.000	1	123.7355	6.953	2	123.7355	6.953	2	122.6723	3.236	11
643	727	953	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	I	3:3:2:	3:4:3:	3:3:	C[5,6,6a]-3:C[5,6,6a]-3:I-2:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(IC[6a])	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I)	I(C[6a]C[5,6,6a]2)(C[6a]C[6a]2)	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(IC[6a]){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I){1|C<3>,2|C<4>,6|H<1>}	I(C[6a]C[5,6,6a]2)(C[6a]C[6a]2)	119.7125	0.345	4	119.7125	0.119	4	119.7125	0.119	4	119.7125	0.119	4	119.7125	0.119	4	119.7125	0.119	4
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(NHH)	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]N[6a]N)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(NHH){1|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5,6a]O)(C[6a]N[6a]N){4|C<3>}	N(C[6a]C[5,6a]N[6a])(H)2	120.0230	0.000	1	120.0230	0.000	1	120.0230	0.000	1	124.1376	2.811	14	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O){1|H<1>,1|O<1>,2|C<3>}	N(C[6a]C[5,6a]N[6a])(H)2	122.7110	0.000	1	122.7110	0.000	1	122.7110	0.000	1	124.1376	2.811	14	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]C)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]C){1|Zn<4>,1|C<3>,1|H<1>}	N(C[6a]C[5,6a]N[6a])(H)2	125.2510	0.000	1	125.2510	0.000	1	124.5994	1.366	12	124.1376	2.811	14	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Co)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|Co<6>,1|C<3>,1|N<2>,2|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Co){1|C<3>,2|H<1>}	N(C[6a]C[5,6a]N[6a])(H)2	125.7620	0.000	1	125.7620	0.000	1	124.5994	1.366	12	124.1376	2.811	14	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|Co<6>,1|C<3>,1|H<1>}	N(C[6a]C[5,6a]N[6a])(H)2	123.3563	0.179	4	123.6320	0.404	5	124.5994	1.366	12	124.1376	2.811	14	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|Ir<8>,1|C<3>,1|C<4>}	N(C[6a]C[5,6a]N[6a])(H)2	124.7350	0.000	1	123.6320	0.404	5	124.5994	1.366	12	124.1376	2.811	14	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Ir)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|Ir<8>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Ir){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5,6a]N[6a])(H)2	123.3820	0.000	1	123.3820	0.000	1	124.5994	1.366	12	124.1376	2.811	14	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Os)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|Os<9>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Os){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5,6a]N[6a])(H)2	124.8220	0.000	1	124.8220	0.000	1	124.5994	1.366	12	124.1376	2.811	14	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Pt)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Pt){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5,6a]N[6a])(H)2	125.8615	0.008	2	125.8615	0.000	2	124.5994	1.366	12	124.1376	2.811	14	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Ru)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NHH){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Ru){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5,6a]N[6a])(H)2	126.0930	0.000	1	126.0930	0.000	1	124.5994	1.366	12	124.1376	2.811	14	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:2:3:	3:3:3:	3:3:1:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	N(C[6a]C[5,6a]N[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|C<3>,2|H<1>}	N(C[6a]C[5,6a]N[6a])(CC[6a]O)(H)	126.8640	0.000	1	126.8640	0.000	1	126.8640	0.000	1	126.8640	0.000	1	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:2:3:	3:3:3:	3:4:1:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6]-4:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NC[6]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O)	N(C[6a]C[5,6a]N[6a])(C[6]C[6]O[6]H)(H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NC[6]H){1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O){1|C<4>,1|O<1>,2|C<3>}	N(C[6a]C[5,6a]N[6a])(C[6]C[6]O[6]H)(H)	123.1430	0.000	1	123.1430	0.000	1	123.1430	0.000	1	122.9889	0.134	7	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:2:3:	3:3:3:	3:4:1:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	N(C[6a]C[5,6a]N[6a])(CC[5]HH)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|C<3>,2|H<1>}	N(C[6a]C[5,6a]N[6a])(CC[5]HH)(H)	122.8800	0.000	1	122.8800	0.000	1	122.9632	0.156	6	122.9889	0.134	7	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:2:3:	3:3:3:	3:4:1:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|C<3>,2|H<1>}	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	122.9960	0.000	1	122.9960	0.000	1	122.9632	0.156	6	122.9889	0.134	7	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:2:3:	3:3:3:	3:4:1:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Pt)	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH){1|Cl<1>,1|Pt<4>,1|C<3>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Pt){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	122.9990	0.320	2	122.9990	0.102	2	122.9632	0.156	6	122.9889	0.134	7	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:2:3:	3:3:3:	3:4:1:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-4:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Rh)	N(C[6a]C[5,6a]N[6a])(CH3)(H)	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a])(NCH){1|Rh<8>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]Rh){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5,6a]N[6a])(CH3)(H)	122.9525	0.815	2	122.9525	0.665	2	122.9632	0.156	6	122.9889	0.134	7	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:2:3:	3:3:4:	3:1:1:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]N)(C[5]C[5]HH)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]N[6a]N)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	N(C[6a]C[5,6a]N[6a])(H)2	119.8480	0.000	1	119.8480	0.000	1	119.8480	0.000	1	119.8480	0.000	1	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:2:3:	3:4:3:	3:1:1:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]N[6a]N)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH){1|C<4>,1|N<2>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a]N[6a]N[5])(C[5]C[6a]C[5]C)(C[6a]N[6a]N){1|H<1>,1|O<1>,3|C<3>}	N(C[6a]C[5,6a]N[6a])(H)2	122.9590	0.000	1	122.9590	0.000	1	122.9590	0.000	1	122.9590	0.000	1	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:2:3:	3:4:3:	3:4:1:	C[5,6a]-3:N[6a]-2:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(NCH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]C[6a]N[5]O)(C[6a]N[6a]N)	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a,6a])(NCH){1|N<3>,1|O<2>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[5]C[6a]N[5]O)(C[6a]N[6a]N){1|C<4>,1|O<1>,4|C<3>}	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	119.8415	0.521	2	119.8415	0.272	2	119.8415	0.272	2	119.8415	0.272	2	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:2:3:	4:3:3:	3:1:1:	C[5,6a]-3:N[6a]-2:N-3:	C[5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH)	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]N[6a]O[5])(C[6a]N[6a]N)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[5,6a](C[5]C[5,5]C[6a]H)(C[5,6a]N[6a]O[5])(C[6a]N[6a]N){5|C<3>}	N(C[6a]C[5,6a]N[6a])(H)2	123.1650	0.000	1	123.1650	0.000	1	123.1650	0.000	1	123.1650	0.000	1	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]N)(O[5]C[5,6])	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(NOO){1|Cl<1>,1|C<3>,2|C<4>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]N)(O[5]C[5,6]){2|C<3>,2|H<1>,3|C<4>}	N(C[6a]C[5,6a]C[6a])(O)2	122.1730	0.000	1	122.1730	0.000	1	122.1730	0.000	1	120.8451	1.345	10	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]O[5])	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NOO){1|C<2>,1|C<3>,1|N<3>,1|O<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]O[5]){1|C<3>,1|O<1>,2|H<1>}	N(C[6a]C[5,6a]C[6a])(O)2	120.7040	0.755	3	120.8060	0.421	4	120.8060	0.421	4	120.8451	1.345	10	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]O[5])	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|O<2>,2|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]O[5]){1|H<1>,1|O<1>,2|C<3>}	N(C[6a]C[5,6a]C[6a])(O)2	121.1120	0.000	1	120.8060	0.421	4	120.8060	0.421	4	120.8451	1.345	10	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(O[5]C[5])	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(O[5]C[5]){1|C<3>,1|C<4>,5|H<1>}	N(C[6a]C[5,6a]C[6a])(O)2	122.3350	0.000	1	122.3350	0.000	1	121.7970	0.579	2	120.8451	1.345	10	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(O[5]C[5])	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(NOO){1|C<4>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(O[5]C[5]){1|Ru<6>,2|C<3>,2|H<1>}	N(C[6a]C[5,6a]C[6a])(O)2	121.2590	0.000	1	121.2590	0.000	1	121.7970	0.579	2	120.8451	1.345	10	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(NHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(S[5]C[5])	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(NHH){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(S[5]C[5]){1|Zn<4>,1|C<3>,3|H<1>}	N(C[6a]C[5,6a]C[6a])(H)2	120.8650	0.000	1	120.8650	0.000	1	120.8650	0.000	1	120.8451	1.345	10	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(Se[5]N[5])	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,2|C<3>}	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>}	N(C[6a]C[5,6a]C[6a])(O)2	118.3250	0.000	1	118.3250	0.000	1	118.3250	0.000	1	120.8451	1.345	10	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5a,6a]-3:C[5,6a]-3:N-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]S[5])(NOO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]N)(S[5]S[5])	N(C[6a]C[5a,6a]C[5,6a])(O)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]S[5])(NOO){1|C<3>,2|N<2>,2|S<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[5a,6a]N)(S[5]S[5]){1|C<3>,1|O<1>,1|S<2>}	N(C[6a]C[5a,6a]C[5,6a])(O)2	120.2700	0.000	1	120.2700	0.000	1	120.2700	0.000	1	120.8451	1.345	10	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(NCH)	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]N)(O[5]C[5,6])	N(C[6a]C[5,6a]C[6a])(CCO)(H)	C[6a](C[5,6a]C[5,6,6a]O[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,2|C<4>}	C[5,6a](C[5,6,6a]C[5,3x6]C[6,6a])(C[6a]C[6a]N)(O[5]C[5,6]){1|C<3>,2|H<1>,4|C<4>}	N(C[6a]C[5,6a]C[6a])(CCO)(H)	119.5000	0.000	1	119.5000	0.000	1	119.5000	0.000	1	119.5000	0.000	1	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:2:	3:4:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:C-4:H-1:	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(NCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(Se[5]N[5])	N(C[6a]C[5,6a]C[6a])(CH3)(H)	C[6a](C[5,6a]C[5,6a]Se[5])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,2|C<3>}	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>}	N(C[6a]C[5,6a]C[6a])(CH3)(H)	121.7465	1.484	2	121.7465	2.203	2	121.7465	2.203	2	121.7465	2.203	2	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]Cl)(NOO)	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]N)(N[5]C[5]C)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a,6a]N[5])(C[6a]C[6a]Cl)(NOO){1|C<4>,1|N<3>,3|C<3>}	C[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]N)(N[5]C[5]C){1|Cl<1>,1|N<2>,1|O<1>,2|C<3>}	N(C[6a]C[5,6a]C[6a])(O)2	121.7340	0.000	1	121.7340	0.000	1	121.7340	0.000	1	122.0259	1.419	50	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NHH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NHH){1|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){3|H<1>,4|C<3>}	N(C[6a]C[5,6a]C[6a])(H)2	121.6000	0.000	1	121.6000	0.000	1	121.6000	0.000	1	122.0259	1.419	50	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){1|Br<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|O<1>,3|C<3>,3|H<1>}	N(C[6a]C[5,6a]C[6a])(O)2	122.6450	0.000	1	122.1696	0.428	26	122.1162	0.437	28	122.0259	1.419	50	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){1|C<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N(C[6a]C[5,6a]C[6a])(O)2	121.7710	0.409	2	122.1696	0.428	26	122.1162	0.437	28	122.0259	1.419	50	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){1|C<2>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,2|H<1>,4|C<3>}	N(C[6a]C[5,6a]C[6a])(O)2	121.7420	0.503	2	122.1696	0.428	26	122.1162	0.437	28	122.0259	1.419	50	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|Br<1>,1|C<2>,2|H<1>,3|C<3>}	N(C[6a]C[5,6a]C[6a])(O)2	120.9830	0.136	2	122.1696	0.428	26	122.1162	0.437	28	122.0259	1.419	50	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N(C[6a]C[5,6a]C[6a])(O)2	122.4024	0.775	8	122.1696	0.428	26	122.1162	0.437	28	122.0259	1.419	50	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,2|H<1>,4|C<3>}	N(C[6a]C[5,6a]C[6a])(O)2	122.3700	0.569	5	122.1696	0.428	26	122.1162	0.437	28	122.0259	1.419	50	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){1|S<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,2|H<1>,4|C<3>}	N(C[6a]C[5,6a]C[6a])(O)2	122.4430	0.301	2	122.1696	0.428	26	122.1162	0.437	28	122.0259	1.419	50	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	N(C[6a]C[5,6a]C[6a])(O)2	122.3105	0.342	2	122.1696	0.428	26	122.1162	0.437	28	122.0259	1.419	50	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){5|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){1|N<3>,2|H<1>,4|C<3>}	N(C[6a]C[5,6a]C[6a])(O)2	122.0980	0.059	2	122.1696	0.428	26	122.1162	0.437	28	122.0259	1.419	50	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]N)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NOO){1|C<2>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]N){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	N(C[6a]C[5,6a]C[6a])(O)2	121.4220	0.235	2	121.4220	0.055	2	122.1162	0.437	28	122.0259	1.419	50	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]N)(C[5]N[5]O)	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]N)(C[5]N[5]O){1|C<4>,2|H<1>,3|C<3>}	N(C[6a]C[5,6a]C[6a])(H)2	121.4237	0.363	4	121.4237	0.132	4	121.7307	0.333	6	122.0259	1.419	50	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]N)(C[5]O[5]O)	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]N)(C[5]O[5]O){2|H<1>,3|C<3>}	N(C[6a]C[5,6a]C[6a])(H)2	122.0800	0.000	1	122.0800	0.000	1	121.7307	0.333	6	122.0259	1.419	50	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O)	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	N(C[6a]C[5,6a]C[6a])(H)2	122.6090	0.000	1	122.6090	0.000	1	121.7307	0.333	6	122.0259	1.419	50	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N(C[6a]C[5,6a]C[6a])(O)2	121.6840	0.000	1	121.9100	0.087	5	121.6199	0.876	7	122.0259	1.419	50	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O){1|C<3>,1|O<1>,3|H<1>}	N(C[6a]C[5,6a]C[6a])(O)2	122.1180	0.000	1	121.9100	0.087	5	121.6199	0.876	7	122.0259	1.419	50	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	N(C[6a]C[5,6a]C[6a])(O)2	121.9160	0.356	3	121.9100	0.087	5	121.6199	0.876	7	122.0259	1.419	50	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(C[5]C[5]C)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(C[5]C[5]C){1|C<3>,3|H<1>}	N(C[6a]C[5,6a]C[6a])(O)2	122.2050	0.000	1	122.2050	0.000	1	121.6199	0.876	7	122.0259	1.419	50	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(C[5]N[5]H)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,3|N<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(C[5]N[5]H){2|C<3>,3|H<1>}	N(C[6a]C[5,6a]C[6a])(O)2	119.5840	0.000	1	119.5840	0.000	1	121.6199	0.876	7	122.0259	1.419	50	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(N[5]C[5]C)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NOO){2|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(N[5]C[5]C){1|C<3>,6|H<1>}	N(C[6a]C[5,6a]C[6a])(O)2	122.4910	0.000	1	122.4910	0.000	1	122.4910	0.000	1	122.0259	1.419	50	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:S[5]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(S[5]N[5]O)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(NOO){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(S[5]N[5]O){1|O<1>,2|C<3>,2|H<1>}	N(C[6a]C[5,6a]C[6a])(O)2	120.1653	0.436	3	120.1653	0.190	3	120.1653	0.190	3	122.0259	1.419	50	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)(NOO)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]N)(N[5]C[5]C)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]C)(NOO){1|C<3>,1|H<1>,3|C<4>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]N)(N[5]C[5]C){1|O<1>,2|C<3>,4|H<1>}	N(C[6a]C[5,6a]C[6a])(O)2	121.3360	0.000	1	121.3360	0.000	1	121.3360	0.000	1	122.0259	1.419	50	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:N[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(NHH)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H)	N(C[6a]C[5,6a]N[6a])(H)2	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]N)(N[5]C[5]H){1|C<3>,3|H<1>}	N(C[6a]C[5,6a]N[6a])(H)2	126.3305	0.368	2	126.3305	0.136	2	126.3305	0.136	2	122.0259	1.419	50	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O)	N(C[6a]C[5,6a]C[6a])(CCO)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N(C[6a]C[5,6a]C[6a])(CCO)(H)	118.1335	0.489	4	118.1335	0.240	4	118.1335	0.240	4	119.5743	2.537	8	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NC[6a]H)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O)	N(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NC[6a]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)(H)	121.0150	0.381	4	121.0150	0.146	4	121.0150	0.146	4	119.5743	2.537	8	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]O[5]O)	N(C[6a]C[5,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]O[5]O){1|C<3>,1|O<1>,2|H<1>}	N(C[6a]C[5,6a]C[6a])(CC[6a]HH)(H)	120.5360	0.096	2	120.5360	0.009	2	120.5360	0.009	2	119.8588	0.362	6	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:S-4:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NHS)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H)	N(C[6a]C[5,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NHS){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H){1|Co<5>,1|C<3>,3|H<1>}	N(C[6a]C[5,6a]C[6a])(SC[6a]OO)(H)	119.8270	0.000	1	119.4375	0.303	2	119.5203	0.141	4	119.8588	0.362	6	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:S-4:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NHS)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H)	N(C[6a]C[5,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NHS){1|N<3>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(N[5]C[5]H){2|C<3>,3|H<1>}	N(C[6a]C[5,6a]C[6a])(SC[6a]OO)(H)	119.0480	0.000	1	119.4375	0.303	2	119.5203	0.141	4	119.8588	0.362	6	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:S-4:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NHS)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]N)(N[5]C[5]Co)	N(C[6a]C[5,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NHS){1|Co<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]N)(N[5]C[5]Co){1|C<3>,3|H<1>}	N(C[6a]C[5,6a]C[6a])(SC[6a]OO)(H)	119.3880	0.000	1	119.3880	0.000	1	119.5203	0.141	4	119.8588	0.362	6	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:S-4:H-1:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NHS)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]N)(N[5]C[5]Ni)	N(C[6a]C[5,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(NHS){1|Ni<6>,1|H<1>,1|O<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]N)(N[5]C[5]Ni){1|C<3>,3|H<1>}	N(C[6a]C[5,6a]C[6a])(SC[6a]OO)(H)	119.8180	0.000	1	119.8180	0.000	1	119.5203	0.141	4	119.8588	0.362	6	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:4:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(NHH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH)	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]H)(NHH){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH){2|C<3>,5|H<1>}	N(C[6a]C[5,6a]C[6a])(H)2	120.1370	0.000	1	120.1370	0.000	1	120.7750	0.450	3	120.3994	1.079	8	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:4:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]HH)	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N(C[6a]C[5,6a]C[6a])(H)2	121.0940	0.539	2	121.0940	0.290	2	120.7750	0.450	3	120.3994	1.079	8	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:4:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HH){1|C<3>,1|O<2>,5|H<1>}	N(C[6a]C[5,6a]C[6a])(O)2	120.9570	0.000	2	120.9570	0.000	2	120.1740	1.493	5	120.3994	1.079	8	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:4:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]HH)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]HH){1|O<1>,2|C<3>,2|H<1>}	N(C[6a]C[5,6a]C[6a])(O)2	119.4780	1.936	2	119.4780	3.748	2	120.1740	1.493	5	120.3994	1.079	8	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:4:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:O-1:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO)	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]N)(C[5]C[5]HH)	N(C[6a]C[5,6a]C[6a])(O)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NOO){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]N)(C[5]C[5]HH){1|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[5,6a]C[6a])(O)2	120.0000	0.000	1	120.0000	0.000	1	120.1740	1.493	5	120.3994	1.079	8	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(NCH)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]N)(C[5]O[5]HH)	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C)(NCH){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]N)(C[5]O[5]HH){1|C<4>,1|O<1>,2|C<3>}	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	120.2740	0.399	2	120.2740	0.159	2	119.1587	2.566	4	119.7822	3.868	5	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C)(NCH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N)(C[5]O[5]HH)	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C)(NCH){1|O<2>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N)(C[5]O[5]HH){1|C<4>,1|O<1>,2|C<3>}	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	119.1760	0.000	1	119.1760	0.000	1	119.1587	2.566	4	119.7822	3.868	5	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]CH)	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,2|H<1>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]CH){1|C<3>,6|H<1>}	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	116.9110	0.000	1	116.9110	0.000	1	119.1587	2.566	4	119.7822	3.868	5	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:4:	3:3:1:	N[5a,6a]-3:C[5,6a]-3:N-3:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-3:H-1:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NCH)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[5a,6a]N)(C[5]C[5]HH)	N(C[6a]N[5a,6a]C[5,6a])(CNO)(H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NCH){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[5a,6a]N)(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	N(C[6a]N[5a,6a]C[5,6a])(CNO)(H)	122.2760	0.000	1	122.2760	0.000	1	122.2760	0.000	1	119.7822	3.868	5	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[6,6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-3:C-3:	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(NCC)	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6,6a]N)(C[5]C[5]HH)	N(C[6a]C[5,6a]C[6,6a])(CNO)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6,6a]C[6,6a]C[6])(NCC){1|N<2>,4|C<4>,4|H<1>}	C[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6,6a]N)(C[5]C[5]HH){1|C<3>,1|C<4>,4|H<1>}	N(C[6a]C[5,6a]C[6,6a])(CNO)2	118.9080	0.000	1	118.9080	0.000	1	118.9080	0.000	1	121.9493	7.074	3	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:4:	3:3:3:	N[5a,6a]-3:C[5,6a]-3:N-3:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-3:N-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NCN)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[5a,6a]N)(C[5]C[5]HH)	N(C[6a]N[5a,6a]C[5,6a])(COO)(NCH)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NCN){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[5a,6a]N)(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	N(C[6a]N[5a,6a]C[5,6a])(COO)(NCH)	123.4700	0.523	2	123.4700	0.274	2	123.4700	0.274	2	121.9493	7.074	3	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:3:4:	3:4:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-4:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HN)	N(C[6a]C[5,6a]C[6a])(CH3)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]HN){1|C<3>,6|H<1>}	N(C[6a]C[5,6a]C[6a])(CH3)(H)	121.3070	0.000	1	121.3070	0.000	1	121.3070	0.000	1	121.3070	0.000	1	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5,6a]	N	3:3:3:	3:4:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]N)	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH){3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	117.6925	0.356	2	117.6925	0.127	2	117.6925	0.127	2	117.6925	0.127	2	121.6626	3.705	123	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:2:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(N[5a]C[5a,6])(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a,6]N[6a])(N[5a]C[5a,6])(C[6a]N[6a]N){1|C<4>,2|C<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	123.6350	0.264	2	123.6350	0.070	2	123.6350	0.070	2	123.6350	0.070	2	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHH)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHH){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	120.1210	0.000	1	120.1210	0.000	1	123.4858	1.745	119	123.4858	1.745	119	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(N[5a]S[5a])	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(N[5a]S[5a]){1|C<3>,1|C<4>}	N(C[6a]C[5a,6a]N[6a])(H)2	122.6610	0.000	1	120.1053	2.136	6	123.4858	1.745	119	123.4858	1.745	119	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(N[5a]S[5a])	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<3>,1|O<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(N[5a]S[5a]){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(H)2	119.5942	0.843	5	120.1053	2.136	6	123.4858	1.745	119	123.4858	1.745	119	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	122.8370	0.000	1	122.8370	0.000	1	123.4858	1.745	119	123.4858	1.745	119	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|D<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|D<1>}	N(C[6a]C[5a,6a]N[6a])(H)2	124.4700	0.000	1	123.6931	0.990	110	123.4858	1.745	119	123.4858	1.745	119	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(H)2	123.9610	0.738	56	123.6931	0.990	110	123.4858	1.745	119	123.4858	1.745	119	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|S<2>}	N(C[6a]C[5a,6a]N[6a])(H)2	123.2365	0.414	2	123.6931	0.990	110	123.4858	1.745	119	123.4858	1.745	119	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]N[6a])(H)2	123.8426	0.741	11	123.6931	0.990	110	123.4858	1.745	119	123.4858	1.745	119	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,2|C<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	123.4675	1.583	20	123.6931	0.990	110	123.4858	1.745	119	123.4858	1.745	119	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|Co<6>,1|C<3>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(H)2	124.1705	0.088	2	123.6931	0.990	110	123.4858	1.745	119	123.4858	1.745	119	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|H<1>,2|C<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	124.2710	0.000	1	123.6931	0.990	110	123.4858	1.745	119	123.4858	1.745	119	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|Pt<4>,1|C<3>,1|C<4>}	N(C[6a]C[5a,6a]N[6a])(H)2	123.0370	0.000	1	123.6931	0.990	110	123.4858	1.745	119	123.4858	1.745	119	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){3|C<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	123.4480	0.000	1	123.6931	0.990	110	123.4858	1.745	119	123.4858	1.745	119	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(H)2	123.8570	0.000	1	123.6931	0.990	110	123.4858	1.745	119	123.4858	1.745	119	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<2>,1|C<3>,1|C<4>}	N(C[6a]C[5a,6a]N[6a])(H)2	121.8230	0.000	1	123.6931	0.990	110	123.4858	1.745	119	123.4858	1.745	119	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(H)2	122.9437	0.505	3	123.6931	0.990	110	123.4858	1.745	119	123.4858	1.745	119	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]N[6a])(H)2	122.9160	0.656	8	123.6931	0.990	110	123.4858	1.745	119	123.4858	1.745	119	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,2|C<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	122.4645	0.730	2	123.6931	0.990	110	123.4858	1.745	119	123.4858	1.745	119	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>}	N(C[6a]C[5a,6a]N[6a])(H)2	124.9760	0.000	1	124.9760	0.000	1	123.4858	1.745	119	123.4858	1.745	119	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:2:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N-2:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHN)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(NC)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHN){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N(C[6a]C[5a,6a]N[6a])(NC)(H)	118.6390	0.000	1	118.6390	0.000	1	118.6390	0.000	1	118.6390	0.000	1	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:3:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(CNO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N(C[6a]C[5a,6a]N[6a])(CNO)(H)	119.2200	0.000	1	119.2200	0.000	1	119.9267	0.981	3	119.5688	0.880	9	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:3:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(CC[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(CC[6a]O)(H)	120.2800	1.102	2	120.2800	1.214	2	119.9267	0.981	3	119.5688	0.880	9	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:3:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NC[6a]H)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NC[6a]H){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	119.1020	0.000	1	119.1020	0.000	1	119.6880	0.459	5	119.5688	0.880	9	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:3:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	119.5995	0.975	2	119.8345	0.468	4	119.6880	0.459	5	119.5688	0.880	9	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:3:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]H){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	120.0695	0.483	2	119.8345	0.468	4	119.6880	0.459	5	119.5688	0.880	9	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:3:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHN)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(NHH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NHN){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N(C[6a]C[5a,6a]N[6a])(NHH)(H)	117.8990	0.000	1	117.8990	0.000	1	117.8990	0.000	1	119.5688	0.880	9	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-3:C-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(COO)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(COO)2	122.2970	0.000	1	123.0920	1.264	2	123.0920	1.264	2	122.7903	1.655	4	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-3:C-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(COO)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|H<1>,2|C<3>}	N(C[6a]C[5a,6a]N[6a])(COO)2	123.8870	0.000	1	123.0920	1.264	2	123.0920	1.264	2	122.7903	1.655	4	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]2)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[6a]2){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){3|C<3>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)2	123.7800	0.000	1	123.7800	0.000	1	123.7800	0.000	1	122.7903	1.655	4	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:3:3:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(NC[6a]2)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]N)(S[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(NC[6a]2){4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[6a]N)(S[5a]C[5a]){2|C<3>,2|H<1>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)2	121.1970	0.000	1	121.1970	0.000	1	121.1970	0.000	1	122.7903	1.655	4	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:4:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(CCHH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]N[6a])(CCHH)(H)	122.4853	0.388	4	122.6282	0.215	5	122.6829	0.315	23	122.4448	0.510	31	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:4:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(CCHH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(CCHH)(H)	123.2000	0.000	1	122.6282	0.215	5	122.6829	0.315	23	122.4448	0.510	31	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:4:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(CC[6]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]N[6a])(CC[6]HH)(H)	122.3335	0.606	2	122.3335	0.367	2	122.6829	0.315	23	122.4448	0.510	31	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:4:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(CC[6a]CH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]N[6a])(CC[6a]CH)(H)	123.5330	0.000	1	123.5330	0.000	1	122.6829	0.315	23	122.4448	0.510	31	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:4:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	122.5932	0.389	4	122.6396	0.323	12	122.6829	0.315	23	122.4448	0.510	31	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:4:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	122.6855	0.244	2	122.6396	0.323	12	122.6829	0.315	23	122.4448	0.510	31	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:4:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	121.7120	0.000	1	122.6396	0.323	12	122.6829	0.315	23	122.4448	0.510	31	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:4:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	122.8438	0.700	5	122.6396	0.323	12	122.6829	0.315	23	122.4448	0.510	31	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:4:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(CH3)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(CH3)(H)	122.6350	0.774	2	122.8970	0.505	3	122.6829	0.315	23	122.4448	0.510	31	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:4:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(CH3)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(CH3)(H)	123.4210	0.000	1	122.8970	0.505	3	122.6829	0.315	23	122.4448	0.510	31	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:4:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[3]-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[3]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(C[3]C[3]2H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[3]H){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(C[3]C[3]2H)(H)	122.0910	0.669	2	122.0888	0.151	4	122.0888	0.151	4	122.4448	0.510	31	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:4:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[3]-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[3]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(C[3]C[3]2H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NC[3]H){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(C[3]C[3]2H)(H)	122.0865	0.076	2	122.0888	0.151	4	122.0888	0.151	4	122.4448	0.510	31	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:4:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:S-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHS)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHS){1|Cl<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N(C[6a]C[5a,6a]N[6a])(SC[6a]OO)(H)	120.8455	0.756	2	120.8455	0.571	2	120.8455	0.571	2	122.4448	0.510	31	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:4:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(NCH)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(S[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[6a]C[6a])(NCH){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]N[6a]N)(S[5a]C[5a]){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	122.0180	0.239	2	122.0180	0.057	2	122.0180	0.057	2	122.4448	0.510	31	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:4:4:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NCC)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(CH3)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a])(NCC){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	N(C[6a]C[5a,6a]N[6a])(CH3)2	122.9380	0.000	1	122.9380	0.000	1	125.1059	1.336	7	125.1059	1.336	7	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:4:4:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(CH3)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(CH3)2	126.2980	0.000	1	125.4672	0.506	6	125.1059	1.336	7	125.1059	1.336	7	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:4:4:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(CH3)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]N[6a])(CH3)2	124.6230	0.000	1	125.4672	0.506	6	125.1059	1.336	7	125.1059	1.336	7	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:4:4:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(CH3)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(CH3)2	125.4030	0.000	1	125.4672	0.506	6	125.1059	1.336	7	125.1059	1.336	7	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:4:4:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(CH3)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,2|C<3>}	N(C[6a]C[5a,6a]N[6a])(CH3)2	124.6340	0.000	1	125.4672	0.506	6	125.1059	1.336	7	125.1059	1.336	7	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:4:4:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(CH3)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCC){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(CH3)2	125.9225	0.127	2	125.4672	0.506	6	125.1059	1.336	7	125.1059	1.336	7	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|S<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(H)2	120.5560	0.000	1	120.7760	0.097	2	122.9141	1.326	28	123.1064	1.497	35	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]S[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N(C[6a]C[5a,6a]N[6a])(H)2	120.9960	0.000	1	120.7760	0.097	2	122.9141	1.326	28	123.1064	1.497	35	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|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>}	N(C[6a]C[5a,6a]N[6a])(H)2	123.9640	1.857	2	123.9640	3.448	2	122.9141	1.326	28	123.1064	1.497	35	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[3])(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[3])(C[6a]N[6a]N){1|C<3>,2|H<1>,3|C<4>}	N(C[6a]C[5a,6a]N[6a])(H)2	123.5150	0.000	1	123.5150	0.000	1	122.9141	1.326	28	123.1064	1.497	35	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(H)2	124.2010	0.000	1	122.3625	6.760	2	122.9141	1.326	28	123.1064	1.497	35	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|Cl<1>,1|C<3>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(H)2	120.5240	0.000	1	122.3625	6.760	2	122.9141	1.326	28	123.1064	1.497	35	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]F)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|F<1>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]F)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(H)2	122.8453	0.426	3	122.8453	0.181	3	122.9141	1.326	28	123.1064	1.497	35	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|F<1>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(H)2	123.3770	0.000	1	122.8025	0.660	2	122.9141	1.326	28	123.1064	1.497	35	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(H)2	122.2280	0.000	1	122.8025	0.660	2	122.9141	1.326	28	123.1064	1.497	35	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]I)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|I<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]I)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(H)2	123.2227	0.378	3	123.2227	0.143	3	122.9141	1.326	28	123.1064	1.497	35	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|Br<1>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N(C[6a]C[5a,6a]N[6a])(H)2	122.9960	0.000	1	122.1355	1.481	2	122.9141	1.326	28	123.1064	1.497	35	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|Br<1>,2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]Br)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N(C[6a]C[5a,6a]N[6a])(H)2	121.2750	0.000	1	122.1355	1.481	2	122.9141	1.326	28	123.1064	1.497	35	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<2>,1|H<1>,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>}	N(C[6a]C[5a,6a]N[6a])(H)2	122.5180	0.000	1	123.1205	0.726	2	122.9141	1.326	28	123.1064	1.497	35	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]C)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,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>}	N(C[6a]C[5a,6a]N[6a])(H)2	123.7230	0.000	1	123.1205	0.726	2	122.9141	1.326	28	123.1064	1.497	35	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|H<1>,1|N<3>,1|S<2>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N(C[6a]C[5a,6a]N[6a])(H)2	123.2880	0.000	1	122.8890	0.572	6	122.9141	1.326	28	123.1064	1.497	35	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|N<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N(C[6a]C[5a,6a]N[6a])(H)2	122.8092	0.817	5	122.8890	0.572	6	122.9141	1.326	28	123.1064	1.497	35	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]I)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|H<1>,1|I<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]I)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N(C[6a]C[5a,6a]N[6a])(H)2	123.2020	0.000	1	123.2020	0.000	1	122.9141	1.326	28	123.1064	1.497	35	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a])(NHH){1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<4>,1|N<2>}	N(C[6a]C[5a,6a]N[6a])(H)2	124.5095	0.081	2	124.5095	0.007	2	122.9141	1.326	28	123.1064	1.497	35	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]C)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]C){1|C<3>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(H)2	125.0760	0.000	1	125.0760	0.000	1	124.4617	0.425	3	123.1064	1.497	35	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]H)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]H){1|C<3>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(H)2	124.1545	0.532	2	124.1545	0.284	2	124.4617	0.425	3	123.1064	1.497	35	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|H<1>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[6a]N[5a])(C[6a]N[6a]N){1|C<2>,3|C<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	124.9000	0.000	1	124.9000	0.000	1	124.1143	0.866	3	123.1064	1.497	35	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Rh)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|Rh<5>,1|C<3>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]C[5a]Rh)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(H)2	123.0870	0.000	1	123.0870	0.000	1	124.1143	0.866	3	123.1064	1.497	35	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]N[5a]C[5])(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<4>,1|H<1>,3|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(N[5a]N[5a]C[5])(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	N(C[6a]C[5a,6a]N[6a])(H)2	124.3560	0.000	1	124.3560	0.000	1	124.1143	0.866	3	123.1064	1.497	35	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(NHH)	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a])(NHH){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](N[5a,6a]C[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(H)2	121.3990	0.000	1	121.3990	0.000	1	121.3990	0.000	1	123.1064	1.497	35	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(NC[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(NC[6a]H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]O[5a])(C[6a]N[6a]N){1|H<1>,3|C<3>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	125.4090	0.000	1	125.4090	0.000	1	125.4090	0.000	1	124.5262	19.468	9	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]H){1|H<1>,2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	120.5280	0.000	1	120.5280	0.000	1	120.5280	0.000	1	124.5262	19.468	9	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:N-3:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHN)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(NHH)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NHN){1|N<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>}	N(C[6a]C[5a,6a]N[6a])(NHH)(H)	124.6815	0.025	2	124.6815	0.001	2	124.6815	0.001	2	124.5262	19.468	9	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]H)	N(C[6a]C[5a,6a]N[6a])(CC[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]H){1|C<3>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(CC[6a]O)(H)	127.6633	1.243	4	127.6633	1.546	4	127.6633	1.546	4	124.5262	19.468	9	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:3:1:	C[5a,6a]-3:N[6a]-2:N-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(NC[6a]H)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]O[5a]O)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[6a]C[6a,6a])(NC[6a]H){1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[5a]O[5a]O)(C[6a]N[6a]N){2|C<3>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(H)	114.7830	0.000	1	114.7830	0.000	1	114.7830	0.000	1	124.5262	19.468	9	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CCHH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]C){1|H<1>,2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CCHH)	121.8960	0.000	1	121.8960	0.000	1	122.3865	0.115	4	122.3865	0.115	4	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:3:4:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6a]C){1|H<1>,2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(C[6a]C[6a]2)(CH3)	122.5500	0.108	3	122.5500	0.012	3	122.3865	0.115	4	122.3865	0.115	4	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:4:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]H)	N(C[6a]C[5a,6a]N[6a])(CCHH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]H){1|C<3>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(CCHH)(H)	122.8345	0.527	2	122.8345	0.278	2	122.9883	0.210	3	122.9883	0.210	3	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:4:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]H)	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NCH){1|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]H){1|C<3>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(CC[6a]HH)(H)	123.2960	0.000	1	123.2960	0.000	1	122.9883	0.210	3	122.9883	0.210	3	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:4:4:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NCC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(CCHH)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NCC){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]N){1|C<4>,2|C<3>}	N(C[6a]C[5a,6a]N[6a])(CCHH)2	122.8210	0.000	1	122.8210	0.000	1	124.4910	5.578	2	124.0832	2.084	4	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:4:4:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NCC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(CCHH)(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NCC){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]N[6a])(CCHH)(CH3)	126.1610	0.000	1	126.1610	0.000	1	124.4910	5.578	2	124.0832	2.084	4	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:4:4:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[4]-4:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[4]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(C[4]C[4]2H)(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[4]C){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]N[6a])(C[4]C[4]2H)(CH3)	123.6110	0.000	1	123.6110	0.000	1	123.6110	0.000	1	124.0832	2.084	4	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:4:4:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6]C)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(CH3)	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(NC[6]C){1|H<1>,2|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]N){1|C<3>,1|H<1>}	N(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(CH3)	123.7400	0.000	1	123.7400	0.000	1	123.7400	0.000	1	124.0832	2.084	4	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:2:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]N[5a,5a])(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,3|N<3>}	C[5a,6a](C[5a,6a]N[5a,5a]C[6a])(N[5a]N[5a,5a])(C[6a]C[6a]N){1|N<2>,2|C<3>,2|H<1>}	N(C[6a]C[5a,6a]C[6a])(O)2	121.5710	0.000	1	121.5710	0.000	1	121.5710	0.000	1	121.6969	0.046	7	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:2:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NOO){1|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[5a,6a]C[6a])(O)2	121.6340	0.000	1	121.7178	0.052	6	121.7178	0.052	6	121.6969	0.046	7	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:2:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NOO){1|Cl<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[5a,6a]C[6a])(O)2	122.0100	0.000	1	121.7178	0.052	6	121.7178	0.052	6	121.6969	0.046	7	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:2:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NOO){1|F<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[5a,6a]C[6a])(O)2	121.7410	0.255	2	121.7178	0.052	6	121.7178	0.052	6	121.6969	0.046	7	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:2:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NOO){1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[5a,6a]C[6a])(O)2	121.5905	0.261	2	121.7178	0.052	6	121.7178	0.052	6	121.6969	0.046	7	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:2:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(NCH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]2)(NCH){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N){1|H<1>,4|C<3>}	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	123.0880	0.000	1	123.0880	0.000	1	123.0880	0.000	1	123.0880	0.000	1	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:2:3:	3:4:4:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NCC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(CCHH)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NCC){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[5a,6a]C[6a])(CCHH)2	123.6860	0.000	1	123.6860	0.000	1	124.0680	0.292	2	124.0680	0.292	2	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:2:3:	3:4:4:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NCC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(CC[6a]HH)2	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(NCC){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[5a,6a]C[6a])(CC[6a]HH)2	124.4500	0.000	1	124.4500	0.000	1	124.0680	0.292	2	124.0680	0.292	2	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5a,6a]-3:C[5,6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]S[5])(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]N)(S[5a]S[5a])	N(C[6a]C[5a,6a]C[5,6a])(O)2	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]S[5])(NOO){1|C<3>,2|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]N)(S[5a]S[5a]){1|C<3>,1|O<1>,1|S<2>}	N(C[6a]C[5a,6a]C[5,6a])(O)2	119.4390	0.000	1	119.4390	0.000	1	119.4390	0.000	1	120.4959	3.473	42	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]N)(O[5a]N[5a])	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6,6a]O[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6,6a]C[5a,6]C[6,6a])(C[6a]C[6a]N)(O[5a]N[5a]){1|C<3>,1|H<1>,2|C<4>}	N(C[6a]C[5a,6a]C[6a])(O)2	121.0230	0.000	1	121.0230	0.000	1	121.0230	0.000	1	120.4959	3.473	42	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]N)(S[5a]S[5a])	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]N)(S[5a]S[5a]){1|H<1>,3|C<3>}	N(C[6a]C[5a,6a]C[6a])(O)2	119.0630	0.000	1	119.3850	0.207	2	119.3850	0.207	2	120.4959	3.473	42	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]N)(S[5a]S[5a])	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a,6a]S[5a])(C[6a]C[6a]H)(NOO){1|N<3>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]N)(S[5a]S[5a]){1|H<1>,3|C<3>}	N(C[6a]C[5a,6a]C[6a])(O)2	119.7070	0.000	1	119.3850	0.207	2	119.3850	0.207	2	120.4959	3.473	42	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]C[6a])(H)2	119.0470	0.304	2	119.0470	0.092	2	119.0470	0.092	2	120.4959	3.473	42	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(NOO)	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[5a,6a]H)(NOO){1|C<3>,1|S<2>,2|N<2>}	C[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[5a,6a]C[6a])(O)2	119.7460	0.000	1	119.7460	0.000	1	121.3921	0.379	26	120.4959	3.473	42	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a])	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a]){1|C<3>,1|C<4>,3|H<1>}	N(C[6a]C[5a,6a]C[6a])(O)2	121.2275	0.087	2	121.2275	0.008	2	121.3921	0.379	26	120.4959	3.473	42	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N(C[6a]C[5a,6a]C[6a])(O)2	121.6915	0.251	2	121.6915	0.063	2	121.3921	0.379	26	120.4959	3.473	42	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<2>}	N(C[6a]C[5a,6a]C[6a])(O)2	121.8290	0.000	1	121.4947	0.435	15	121.3921	0.379	26	120.4959	3.473	42	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(O)2	121.7499	0.467	10	121.4947	0.435	15	121.3921	0.379	26	120.4959	3.473	42	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|C<3>,1|H<1>,1|S<2>}	N(C[6a]C[5a,6a]C[6a])(O)2	120.4790	0.945	2	121.4947	0.435	15	121.3921	0.379	26	120.4959	3.473	42	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|H<1>,2|C<3>}	N(C[6a]C[5a,6a]C[6a])(O)2	121.0675	0.206	2	121.4947	0.435	15	121.3921	0.379	26	120.4959	3.473	42	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[5a,6a]C[6a])(O)2	121.3840	0.417	2	121.3512	0.060	4	121.3921	0.379	26	120.4959	3.473	42	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]C[6a])(O)2	121.3185	0.030	2	121.3512	0.060	4	121.3921	0.379	26	120.4959	3.473	42	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	N(C[6a]C[5a,6a]C[6a])(O)2	121.2890	0.000	1	121.2890	0.000	1	121.3921	0.379	26	120.4959	3.473	42	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	N(C[6a]C[5a,6a]C[6a])(O)2	121.4960	0.000	1	121.4960	0.000	1	121.3921	0.379	26	120.4959	3.473	42	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(NHH)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N)(N[5a]N[5a])	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]C[6a])(NHH){1|N<2>,5|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N)(N[5a]N[5a]){1|C<4>,3|C<3>}	N(C[6a]C[5a,6a]C[6a])(H)2	114.8180	0.000	1	114.8180	0.000	1	117.3761	1.552	7	120.4959	3.473	42	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(NHH)	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a])	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]C)(NHH){4|N<2>}	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a]){1|C<3>,1|C<4>}	N(C[6a]C[5a,6a]C[6a])(H)2	117.7280	0.000	1	117.7280	0.000	1	117.3761	1.552	7	120.4959	3.473	42	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|Br<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,4|H<1>}	N(C[6a]C[5a,6a]C[6a])(H)2	118.2600	0.000	1	117.9945	0.141	2	117.3761	1.552	7	120.4959	3.473	42	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|Br<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]){2|C<3>,3|H<1>}	N(C[6a]C[5a,6a]C[6a])(H)2	117.7290	0.000	1	117.9945	0.141	2	117.3761	1.552	7	120.4959	3.473	42	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N)(NHH)	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a])	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N)(NHH){1|N<3>,3|N<2>}	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a]){1|C<3>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(H)2	117.6993	0.844	3	117.6993	0.712	3	117.3761	1.552	7	120.4959	3.473	42	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N)(NOO)	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a])	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]N)(NOO){1|N<3>,3|N<2>}	C[5a,6a](N[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a]){1|C<3>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(O)2	118.2620	0.000	1	118.2620	0.000	1	118.2620	0.000	1	120.4959	3.473	42	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5a,6a]-3:N[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C)(NHH){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<3>,1|H<1>,2|C<4>}	N(C[6a]C[5a,6a]N[6a])(H)2	123.7060	0.788	2	123.7060	0.620	2	123.7060	0.620	2	120.4959	3.473	42	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	117.5685	1.702	2	118.1722	1.475	4	116.8336	2.745	8	116.8398	1.907	18	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,4|H<1>}	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	118.7760	0.266	2	118.1722	1.475	4	116.8336	2.745	8	116.8398	1.907	18	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	N(C[6a]C[5a,6a]C[6a])(CCC)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]C[6a])(CCC)(H)	115.3083	0.129	3	115.3083	0.017	3	116.8336	2.745	8	116.8398	1.907	18	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	N(C[6a]C[5a,6a]C[6a])(CC[4]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]C[6a])(CC[4]O)(H)	116.0550	0.000	1	116.0550	0.000	1	116.8336	2.745	8	116.8398	1.907	18	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[5]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(NC[5]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	N(C[6a]C[5a,6a]C[6a])(C[5]N[5]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(NC[5]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|Cl<1>,1|C<3>,1|H<1>}	N(C[6a]C[5a,6a]C[6a])(C[5]N[5]2)(H)	118.3025	0.967	2	118.3025	0.934	2	118.3025	0.934	2	116.8398	1.907	18	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	117.1160	1.803	2	116.4804	0.995	8	116.4804	0.995	8	116.8398	1.907	18	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|H<1>,2|C<3>}	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	116.2685	0.727	6	116.4804	0.995	8	116.4804	0.995	8	116.8398	1.907	18	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:3:3:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]2)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]2){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|H<1>,2|C<3>}	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2	122.1310	0.000	1	122.1310	0.000	1	122.1310	0.000	1	122.1310	0.000	1	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:4:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	N(C[6a]C[5a,6a]C[6a])(CCHH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(CCHH)(H)	118.6740	0.000	1	118.6740	0.000	1	118.7680	0.339	4	118.8753	2.739	6	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:4:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	N(C[6a]C[5a,6a]C[6a])(CC[6a]2H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(CC[6a]2H)(H)	118.0180	0.000	1	118.0180	0.000	1	118.7680	0.339	4	118.8753	2.739	6	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:4:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	N(C[6a]C[5a,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(CC[6a]HH)(H)	119.4020	0.000	1	119.4020	0.000	1	118.7680	0.339	4	118.8753	2.739	6	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:4:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	N(C[6a]C[5a,6a]C[6a])(CCHH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|H<1>,2|C<3>}	N(C[6a]C[5a,6a]C[6a])(CCHH)(H)	118.9780	0.000	1	118.9780	0.000	1	118.7680	0.339	4	118.8753	2.739	6	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:4:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[3x6]-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[3x6]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	N(C[6a]C[5a,6a]C[6a])(C[3x6]C[6,6]3)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[3x6]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|H<1>,2|C<3>}	N(C[6a]C[5a,6a]C[6a])(C[3x6]C[6,6]3)(H)	116.5860	0.000	1	116.5860	0.000	1	116.5860	0.000	1	118.8753	2.739	6	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:4:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:S-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,3|H<1>}	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	121.5940	0.000	1	121.5940	0.000	1	121.5940	0.000	1	118.8753	2.739	6	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:4:4:	C[5a,6a]-3:C[5a,6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(NCC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]N)(S[5a]C[5a])	N(C[6a]C[5a,6a]2)(CCHH)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(NCC){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]N)(S[5a]C[5a]){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	N(C[6a]C[5a,6a]2)(CCHH)2	118.7240	0.000	1	118.7240	0.000	1	118.7240	0.000	1	121.7888	3.009	5	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:4:4:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	N(C[6a]C[5a,6a]C[6a])(CCHH)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(CCHH)2	122.4457	0.274	3	122.4457	0.075	3	122.5550	0.098	4	121.7888	3.009	5	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:4:4:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a])	N(C[6a]C[5a,6a]C[6a])(CH3)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]O[5a]){1|H<1>,2|C<3>}	N(C[6a]C[5a,6a]C[6a])(CH3)2	122.8830	0.000	1	122.8830	0.000	1	122.5550	0.098	4	121.7888	3.009	5	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(NHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(NHH){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N){1|S<4>,2|H<1>,4|C<3>}	N(C[6a]C[5a,6a]C[6a])(H)2	119.7940	0.000	1	119.7940	0.000	1	121.5936	1.186	5	121.2664	3.774	39	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(NHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(NHH){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N){1|C<2>,1|S<4>,2|H<1>,3|C<3>}	N(C[6a]C[5a,6a]C[6a])(H)2	121.5600	0.000	1	121.5600	0.000	1	121.5936	1.186	5	121.2664	3.774	39	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(NHH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(NHH){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]N){1|C<4>,2|H<1>,4|C<3>}	N(C[6a]C[5a,6a]C[6a])(H)2	122.7120	0.000	1	122.7120	0.000	1	121.5936	1.186	5	121.2664	3.774	39	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(NHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(NHH){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N(C[6a]C[5a,6a]C[6a])(H)2	121.9510	0.000	2	121.9510	0.000	2	121.5936	1.186	5	121.2664	3.774	39	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(NOO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(NOO){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N){1|C<4>,2|H<1>,4|C<3>}	N(C[6a]C[5a,6a]C[6a])(O)2	117.6960	0.000	1	117.6960	0.000	1	117.6960	0.000	1	121.2664	3.774	39	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(NHH)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(NHH){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N){1|S<4>,2|C<3>,2|H<1>}	N(C[6a]C[5a,6a]C[6a])(H)2	120.6610	0.119	2	120.6610	0.014	2	120.7565	0.959	4	121.2664	3.774	39	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(NHH){1|C<4>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]N[5a]H)(C[6a]C[6a]N){1|C<4>,2|C<3>}	N(C[6a]C[5a,6a]C[6a])(H)2	119.6630	0.000	1	119.6630	0.000	1	120.7565	0.959	4	121.2664	3.774	39	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NHH)	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NHH){1|C<3>,1|N<2>,1|S<2>,2|N<3>}	C[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]N)(C[6a]C[6a]N){1|H<1>,2|C<3>}	N(C[6a]C[5a,6a]C[6a])(H)2	122.0410	0.000	1	122.0410	0.000	1	120.7565	0.959	4	121.2664	3.774	39	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5,5]C[5a])(C[6a]C[6a]N){1|C<3>,3|C<4>,4|H<1>}	N(C[6a]C[5a,6a]C[6a])(O)2	121.5000	0.000	1	121.5000	0.000	1	120.5256	0.808	16	121.2664	3.774	39	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|C<4>,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]N){1|C<3>,4|H<1>}	N(C[6a]C[5a,6a]C[6a])(O)2	121.7885	0.220	2	121.7885	0.048	2	120.5256	0.808	16	121.2664	3.774	39	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N){2|C<3>,2|H<1>}	N(C[6a]C[5a,6a]C[6a])(O)2	120.1317	0.252	3	119.7467	0.160	8	120.5256	0.808	16	121.2664	3.774	39	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,2|H<1>}	N(C[6a]C[5a,6a]C[6a])(O)2	119.5158	0.264	5	119.7467	0.160	8	120.5256	0.808	16	121.2664	3.774	39	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]N)(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]N)(C[6a]C[6a]N){1|C<2>,1|C<3>,1|H<1>}	N(C[6a]C[5a,6a]C[6a])(O)2	121.0180	0.622	2	121.0957	0.151	4	120.5256	0.808	16	121.2664	3.774	39	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]N)(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]O[5a]N)(C[6a]C[6a]N){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]C[6a])(O)2	121.1735	0.207	2	121.0957	0.151	4	120.5256	0.808	16	121.2664	3.774	39	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NOO){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]N){1|C<3>,1|C<4>,2|H<1>}	N(C[6a]C[5a,6a]C[6a])(O)2	120.9760	0.000	1	120.9760	0.000	1	120.5256	0.808	16	121.2664	3.774	39	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a]O)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]Cl)(NHH){1|O<1>,3|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]N[5a]O){1|Cl<1>,1|N<2>}	N(C[6a]C[5a,6a]C[6a])(H)2	125.3060	0.475	2	125.3060	0.226	2	125.3060	0.226	2	121.2664	3.774	39	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){2|C<3>,3|H<1>}	N(C[6a]C[5a,6a]C[6a])(O)2	120.3420	0.000	1	120.6615	0.204	2	120.4702	0.085	5	121.2664	3.774	39	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){1|S<2>,2|C<3>,2|H<1>}	N(C[6a]C[5a,6a]C[6a])(O)2	120.9810	0.000	1	120.6615	0.204	2	120.4702	0.085	5	121.2664	3.774	39	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a]H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|N<2>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a]H){1|C<3>,3|H<1>}	N(C[6a]C[5a,6a]C[6a])(O)2	120.3280	0.116	2	120.3280	0.013	2	120.4702	0.085	5	121.2664	3.774	39	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){1|C<3>,2|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]C[6a])(O)2	120.3720	0.000	1	120.3720	0.000	1	120.4702	0.085	5	121.2664	3.774	39	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(NOO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(NOO){1|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]N){1|H<1>,4|C<3>}	N(C[6a]C[5a,6a]C[6a])(O)2	121.2940	0.000	1	121.2940	0.000	1	122.0110	7.725	4	121.2664	3.774	39	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NOO){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[5a,6a]C[6a])(O)2	120.3150	0.158	2	120.3150	0.025	2	122.0110	7.725	4	121.2664	3.774	39	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(NOO)	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(O)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(NOO){1|C<4>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(N[5a]C[5a]C[5])(C[6a]C[6a]N){1|C<4>,1|N<2>,1|N<3>,1|O<2>,3|H<1>}	N(C[6a]C[5a,6a]C[6a])(O)2	126.1200	0.000	1	126.1200	0.000	1	122.0110	7.725	4	121.2664	3.774	39	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:N[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Br)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(NHH){1|Br<1>,1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]Br)(C[6a]N[6a]N){1|C<3>,1|C<4>,2|H<1>}	N(C[6a]C[5a,6a]N[6a])(H)2	126.1480	0.000	1	126.1480	0.000	1	125.6410	0.514	2	121.2664	3.774	39	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:N[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]N){1|C<3>,1|C<4>,2|H<1>}	N(C[6a]C[5a,6a]N[6a])(H)2	125.1340	0.000	1	125.1340	0.000	1	125.6410	0.514	2	121.2664	3.774	39	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(NCH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]O)(NCH){1|C<4>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	119.1110	0.000	2	119.1110	0.000	2	119.1110	0.000	2	119.4964	6.981	46	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]N){2|C<3>,3|H<1>}	N(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)	119.0890	0.000	1	119.0890	0.000	1	119.0890	0.000	1	119.4964	6.981	46	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){2|C<3>,3|H<1>}	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	118.5360	0.216	2	118.5360	0.047	2	120.0072	10.186	23	119.4964	6.981	46	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	N(C[6a]C[5a,6a]C[6a])(CC[5a]H)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){1|C<3>,4|H<1>}	N(C[6a]C[5a,6a]C[6a])(CC[5a]H)(H)	118.7420	0.412	3	118.7420	0.170	3	120.0072	10.186	23	119.4964	6.981	46	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	N(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){1|C<3>,2|C<4>,2|H<1>}	N(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)	119.2048	0.702	6	119.2723	0.443	7	120.0072	10.186	23	119.4964	6.981	46	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	N(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){2|C<3>,3|H<1>}	N(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)	119.6770	0.000	1	119.2723	0.443	7	120.0072	10.186	23	119.4964	6.981	46	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){1|C<3>,4|H<1>}	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	123.1057	5.198	6	121.5038	22.697	9	120.0072	10.186	23	119.4964	6.981	46	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){2|C<3>,3|H<1>}	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	118.3000	0.366	3	121.5038	22.697	9	120.0072	10.186	23	119.4964	6.981	46	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	N(C[6a]C[5a,6a]C[6a])(CNS)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){1|C<3>,4|H<1>}	N(C[6a]C[5a,6a]C[6a])(CNS)(H)	120.8180	0.000	1	119.2135	5.149	2	120.0072	10.186	23	119.4964	6.981	46	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	N(C[6a]C[5a,6a]C[6a])(CNS)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){2|C<3>,3|H<1>}	N(C[6a]C[5a,6a]C[6a])(CNS)(H)	117.6090	0.000	1	119.2135	5.149	2	120.0072	10.186	23	119.4964	6.981	46	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C[4a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[4a]H)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	N(C[6a]C[5a,6a]C[6a])(C[4a]C[4a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[4a]H){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){1|C<3>,4|H<1>}	N(C[6a]C[5a,6a]C[6a])(C[4a]C[4a]2)(H)	118.6004	0.422	8	118.6004	0.178	8	118.6004	0.178	8	119.4964	6.981	46	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(CCS)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[5a,6a]C[6a])(CCS)(H)	117.5555	0.596	2	117.5555	0.355	2	119.2128	6.815	12	119.4964	6.981	46	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[5a,6a]C[6a])(CC[6a]O)(H)	119.5945	0.900	2	119.5945	0.810	2	119.2128	6.815	12	119.4964	6.981	46	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|Cl<1>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	124.4705	0.145	2	119.5318	9.600	8	119.2128	6.815	12	119.4964	6.981	46	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	117.8855	0.653	6	119.5318	9.600	8	119.2128	6.815	12	119.4964	6.981	46	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(NCH)	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(CC[6a]HH)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]N[6a]O[5a])(C[5a]C[5a]H)(C[6a]C[6a]N){1|C<4>,1|H<1>,1|N<2>}	N(C[6a]C[5a,6a]C[6a])(CC[6a]HH)(H)	123.1530	1.957	2	123.1530	3.831	2	123.1530	3.831	2	122.3513	5.891	8	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6]-4:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(NC[6]H)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(C[6]C[6]2H)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(NC[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]N){1|C<3>,1|H<1>,1|N<3>,1|S<4>}	N(C[6a]C[5a,6a]C[6a])(C[6]C[6]2H)(H)	124.1675	0.885	2	124.1675	0.783	2	124.1675	0.783	2	122.3513	5.891	8	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NHS)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NHS){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N){1|Br<1>,1|C<3>,2|H<1>}	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	119.9290	0.000	1	119.7135	0.093	2	119.7135	0.093	2	122.3513	5.891	8	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NHS)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(NHS){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]N){1|C<3>,1|O<2>,2|H<1>}	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	119.4980	0.000	1	119.7135	0.093	2	119.7135	0.093	2	122.3513	5.891	8	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]C)	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]C){1|C<3>,4|H<1>}	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	125.0850	0.000	1	125.0850	0.000	1	122.3710	14.732	2	122.3513	5.891	8	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){2|C<3>,3|H<1>}	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	119.6570	0.000	1	119.6570	0.000	1	122.3710	14.732	2	122.3513	5.891	8	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:4:3:	C[5a,6a]-3:C[6a,6a]-3:N-3:	N[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-4:C-3:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(NCC)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N)(N[5a]C[5a,6a]H)	N(C[6a]C[5a,6a]C[6a,6a])(CC[6a]HH)(CC[6a]O)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a,6a]C[6a,6a]C[6a])(NCC){2|H<1>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]N)(N[5a]C[5a,6a]H){1|O<1>,4|C<3>}	N(C[6a]C[5a,6a]C[6a,6a])(CC[6a]HH)(CC[6a]O)	118.5200	0.000	1	118.5200	0.000	1	118.5200	0.000	1	118.5200	0.000	1	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[5a,6a]-3:C[5a,6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(NCC)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]N)(C[5a]C[5a]H)	N(C[6a]C[5a,6a]2)(CCHH)2	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]S[5a])(NCC){1|H<1>,1|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]N)(C[5a]C[5a]H){1|C<2>,1|C<3>,1|N<3>,1|S<2>}	N(C[6a]C[5a,6a]2)(CCHH)2	125.2130	0.000	1	125.2130	0.000	1	125.2130	0.000	1	120.8985	37.230	2	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP2	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[5a,6a]-3:C[6a]-3:N-3:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:S-4:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(NCS)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(CC[6a]HH)(SC[6a]OO)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a,6a]H)(NCS){1|H<1>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]N){2|C<3>,3|H<1>}	N(C[6a]C[5a,6a]C[6a])(CC[6a]HH)(SC[6a]OO)	116.5840	0.000	1	116.5840	0.000	1	116.5840	0.000	1	120.8985	37.230	2	121.8733	6.627	406	121.8243	5.947	529
643	727	956	0:SP2_SP2_SP3	C[6a]	C[5,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(NHH)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(S[5]C[5])	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(NHH){1|H<1>,1|N<3>,2|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]N)(S[5]C[5]){1|Zn<4>,1|C<3>,3|H<1>}	N(C[6a]C[5,6a]C[6a])(H)2	122.2070	0.000	1	122.2070	0.000	1	122.2070	0.000	1	122.2070	0.000	1	121.8870	5.907	14	121.0912	6.608	30
643	727	956	0:SP2_SP2_SP3	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]O)	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]C[5]O){2|C<3>,4|H<1>}	N(C[6a]C[5,6a]C[6a])(H)2	120.7730	0.000	1	120.7730	0.000	1	120.7730	0.000	1	120.7730	0.000	1	121.8870	5.907	14	121.0912	6.608	30
643	727	956	0:SP2_SP2_SP3	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O)	N(C[6a]C[5,6a]C[6a])(CCO)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N(C[6a]C[5,6a]C[6a])(CCO)(H)	118.1850	0.000	1	118.1850	0.000	1	118.1850	0.000	1	118.1850	0.000	1	121.8870	5.907	14	121.0912	6.608	30
643	727	956	0:SP2_SP2_SP3	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:H-1:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCH)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]N)	N(C[6a]C[5,6a]C[6a])(CCCN)(H)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCH){1|C<2>,1|S<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]S[5])(C[6a]C[6a]N){1|N<3>,2|H<1>,2|O<1>,3|C<3>}	N(C[6a]C[5,6a]C[6a])(CCCN)(H)	123.4800	0.577	2	123.4800	0.333	2	123.4800	0.333	2	124.7827	5.257	3	121.8870	5.907	14	121.0912	6.608	30
643	727	956	0:SP2_SP2_SP3	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[5,6a]-3:N[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-4:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(NCH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O)	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	C[6a](C[5,6a]C[5,6a]C[5])(N[6a]C[6a]2)(NCH){1|N<3>,2|O<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]N[6a]N)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	N(C[6a]C[5,6a]N[6a])(CC[6a]HH)(H)	127.3880	0.000	1	127.3880	0.000	1	127.3880	0.000	1	124.7827	5.257	3	121.8870	5.907	14	121.0912	6.608	30
643	727	956	0:SP2_SP2_SP3	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	N(C[6a]C[5,6a]C[6a])(CCHH)(CH3)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){2|H<1>,3|C<3>,3|C<4>}	N(C[6a]C[5,6a]C[6a])(CCHH)(CH3)	121.0460	0.000	1	121.0460	0.000	1	120.7715	2.889	4	120.7715	2.889	4	121.8870	5.907	14	121.0912	6.608	30
643	727	956	0:SP2_SP2_SP3	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	N(C[6a]C[5,6a]C[6a])(CC[6]HH)(CH3)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){2|H<1>,3|C<3>,3|C<4>}	N(C[6a]C[5,6a]C[6a])(CC[6]HH)(CH3)	122.9690	0.000	1	122.9690	0.000	1	120.7715	2.889	4	120.7715	2.889	4	121.8870	5.907	14	121.0912	6.608	30
643	727	956	0:SP2_SP2_SP3	C[6a]	C[5,6a]	N	3:3:3:	3:3:3:	3:4:4:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:C-4:C-4:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCC)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N)	N(C[6a]C[5,6a]C[6a])(CH3)2	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(NCC){1|C<4>,1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]N){2|C<4>,2|H<1>,4|C<3>}	N(C[6a]C[5,6a]C[6a])(CH3)2	119.5355	0.841	2	119.5355	0.707	2	120.7715	2.889	4	120.7715	2.889	4	121.8870	5.907	14	121.0912	6.608	30
643	727	956	0:SP2_SP2_SP3	C[6a]	C[5,6a]	N	3:3:3:	3:3:4:	3:1:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:H-1:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]HH)	N(C[6a]C[5,6a]C[6a])(H)2	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(NHH){1|N<3>,2|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]N)(C[5]N[5]HH){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N(C[6a]C[5,6a]C[6a])(H)2	121.6260	0.308	2	121.6260	0.095	2	121.6260	0.095	2	121.6260	0.095	2	121.8870	5.907	14	121.0912	6.608	30
643	727	956	0:SP2_SP2_SP3	C[6a]	C[5,6a]	N	3:3:3:	3:3:4:	3:3:1:	C[5,6a]-3:C[6a]-3:N-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-3:H-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C)(NCH)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N)(C[5]O[5]HH)	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C)(NCH){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]N)(C[5]O[5]HH){1|C<4>,1|O<1>,2|C<3>}	N(C[6a]C[5,6a]C[6a])(CC[6a]O)(H)	119.8460	0.000	1	119.8460	0.000	1	119.8460	0.000	1	119.8460	0.000	1	121.8870	5.907	14	121.0912	6.608	30
643	727	956	0:SP2_SP2_SP3	C[6a]	C[5,6a]	N	3:3:3:	3:3:4:	3:4:1:	N[5a,6a]-3:C[5,6a]-3:N-3:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:S-4:H-1:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NHS)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[5a,6a]N)(C[5]C[5]HH)	N(C[6a]N[5a,6a]C[5,6a])(SC[6a]OO)(H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[5,6a]N[5,6a]C[5])(NHS){1|Br<1>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]N[5a,6a]N)(C[5]C[5]HH){1|O<1>,2|C<3>,4|H<1>}	N(C[6a]N[5a,6a]C[5,6a])(SC[6a]OO)(H)	124.7210	0.000	1	124.7210	0.000	1	124.7210	0.000	1	124.7210	0.000	1	121.8870	5.907	14	121.0912	6.608	30
643	727	956	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	N	3:2:3:	3:3:2:	3:1:1:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]N[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)(N[5a]C[5a]){1|C<4>,2|C<3>}	N(C[6a]C[5a,6a]N[6a])(H)2	122.5120	1.353	2	122.5120	1.832	2	122.5120	1.832	2	122.5120	1.832	2	120.3949	6.548	16	121.0912	6.608	30
643	727	956	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	N	3:2:3:	3:3:3:	3:4:4:	C[5a,6a]-3:N[6a]-2:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6]-4:C-4:	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(NC[6]C)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N)	N(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(CH3)	C[6a](C[5a,6a]C[5a,6a]2)(N[6a]C[6a])(NC[6]C){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]N[6a]N){2|H<1>,3|C<3>}	N(C[6a]C[5a,6a]N[6a])(C[6]C[6]2H)(CH3)	124.4840	0.000	1	124.4840	0.000	1	124.4840	0.000	1	124.4840	0.000	1	120.3949	6.548	16	121.0912	6.608	30
643	727	956	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|Br<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,4|H<1>}	N(C[6a]C[5a,6a]C[6a])(H)2	117.7785	0.269	2	117.6357	0.097	3	117.6357	0.097	3	117.6357	0.097	3	120.3949	6.548	16	121.0912	6.608	30
643	727	956	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(NHH)	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(NHH){1|Br<1>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]){2|C<3>,3|H<1>}	N(C[6a]C[5a,6a]C[6a])(H)2	117.3500	0.000	1	117.6357	0.097	3	117.6357	0.097	3	117.6357	0.097	3	120.3949	6.548	16	121.0912	6.608	30
643	727	956	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[6a]-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]H)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a])	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>}	N(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(H)	117.3390	0.000	1	117.3390	0.000	1	117.3390	0.000	1	117.3390	0.000	1	120.3949	6.548	16	121.0912	6.608	30
643	727	956	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:4:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]C[6a])(CCHH)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){1|H<1>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,1|C<4>,3|H<1>}	N(C[6a]C[5a,6a]C[6a])(CCHH)(H)	119.9625	0.619	2	119.9625	0.383	2	119.9625	0.383	2	120.2600	0.457	3	120.3949	6.548	16	121.0912	6.608	30
643	727	956	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	N	3:3:3:	3:3:2:	3:4:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:S-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]N)(N[5a]C[5a])	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[6a]N)(N[5a]C[5a]){1|C<3>,3|H<1>}	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	120.8550	0.000	1	120.8550	0.000	1	120.8550	0.000	1	120.2600	0.457	3	120.3949	6.548	16	121.0912	6.608	30
643	727	956	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:H-1:H-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(NHH)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N)	N(C[6a]C[5a,6a]C[6a])(H)2	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(NHH){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]N){1|S<4>,2|H<1>,4|C<3>}	N(C[6a]C[5a,6a]C[6a])(H)2	121.1870	0.000	1	121.1870	0.000	1	121.1870	0.000	1	121.1870	0.000	1	120.3949	6.548	16	121.0912	6.608	30
643	727	956	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:3:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-3:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NCH){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){2|C<3>,3|H<1>}	N(C[6a]C[5a,6a]C[6a])(CNO)(H)	117.9490	0.000	1	117.9490	0.000	1	117.9490	0.000	1	117.9490	0.000	1	120.3949	6.548	16	121.0912	6.608	30
643	727	956	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]C)	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS){1|H<1>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]C){1|C<3>,4|H<1>}	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	125.6860	0.000	1	125.6860	0.000	1	121.6620	8.111	4	121.6620	8.111	4	120.3949	6.548	16	121.0912	6.608	30
643	727	956	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H)	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS){2|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]C[5a]H){2|C<3>,3|H<1>}	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	118.9710	0.000	1	118.9710	0.000	1	121.6620	8.111	4	121.6620	8.111	4	120.3949	6.548	16	121.0912	6.608	30
643	727	956	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	N	3:3:3:	3:3:3:	3:4:1:	C[5a,6a]-3:C[6a]-3:N-3:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:S-4:H-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a]C)	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(NHS){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]N)(N[5a]N[5a]C){1|C<3>,3|H<1>}	N(C[6a]C[5a,6a]C[6a])(SC[6a]OO)(H)	120.9955	0.108	2	120.9955	0.012	2	121.6620	8.111	4	121.6620	8.111	4	120.3949	6.548	16	121.0912	6.608	30
643	727	971	0:SP2_SP-NON_SP2	C[6a]	C[5,6,6a]	I	3:3:3:	3:4:3:	3:1:1:	C[5,6,6a]-3:C[5,6,6a]-3:I-3:	C[5,6,6a]-3:C[5,5,6]-4:C[6a]-3:	C[6a]-3:O-1:O-1:	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(IOO)	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I)	I(C[6a]C[5,6,6a]2)(O)2	C[6a](C[5,6,6a]C[5,6,6a]C[5,5,6])2(IOO){1|C<3>,2|H<1>,6|C<4>}	C[5,6,6a](C[5,6,6a]C[5,5,6]C[6a])(C[5,5,6]C[5,5]C[5,6]H)(C[6a]C[5,6,6a]I){1|C<3>,2|C<4>,6|H<1>}	I(C[6a]C[5,6,6a]2)(O)2	119.6870	0.345	2	119.6870	0.119	2	119.6870	0.119	2	119.6870	0.119	2	119.6870	0.119	2	119.6870	0.119	2
643	727	975	0:SP2_SP2_SP3	C[6,6a]	C[5a,6a]	Se[6]	3:3:2:	3:3:3:	3:3:	C[6,6a,6a]-3:C[5a,6a]-3:Se[6]-2:	C[5a,6a,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(Se[6]C[6,6a])	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a,6a]Se[6])(C[5a]C[5a,6a]O)	Se[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6,6a])	C[6,6a](C[6,6a,6a]C[5a,6a,6a]C[6,6a,6a])(C[5a,6a]C[5a,6a,6a]C[5a])(Se[6]C[6,6a]){1|O<1>,7|C<3>}	C[5a,6a](C[5a,6a,6a]C[5a,6a,6a]2)(C[6,6a]C[6,6a,6a]Se[6])(C[5a]C[5a,6a]O){6|C<3>}	Se[6](C[6,6a]C[6,6a,6a]C[5a,6a])(C[6,6a]C[6,6a,6a]C[6,6a]){7|C<3>}	119.5140	0.000	1	119.5140	0.000	1	119.5140	0.000	1	119.5140	0.000	1	119.5140	0.000	1	119.5140	0.000	1
643	727	977	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	S	3:3:1:	3:3:3:	3:	C[5,6a]-3:N[6a]-3:S-1:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(S)	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]H)	S(C[6a]C[5,6a]N[6a])	C[6a](C[5,6a]C[5,6a]N[5])(N[6a]C[6a]H)(S){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]S)(N[5]C[5]H){1|C<3>,3|H<1>}	S(C[6a]C[5,6a]N[6a])	128.2890	0.000	1	128.2890	0.000	1	128.2890	0.000	1	128.2890	0.000	1	126.6625	5.291	2	126.9310	2.565	4
643	727	977	0:SP2_SP-NON_SP2	C[6a]	C[5,6a]	S	3:3:1:	3:4:3:	3:	C[5,6a]-3:C[6a]-3:S-1:	C[5,6a,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]S)(S)	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]S)	S(C[6a]C[5,6a]C[6a])	C[6a](C[5,6a]C[5,6a,6a]C[5])(C[6a]C[5,6a]S)(S){1|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a,6a]C[5,6a,6a]2)(C[5]C[5,6a]HH)(C[6a]C[6a]S){1|S<2>,4|C<3>}	S(C[6a]C[5,6a]C[6a])	125.0360	0.000	1	125.0360	0.000	1	125.0360	0.000	1	125.0360	0.000	1	126.6625	5.291	2	126.9310	2.565	4
643	727	977	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	S	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[6a]-3:S-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(S)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a])	S(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(S){1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]S)(N[5a]C[5a]){1|C<3>,2|H<1>}	S(C[6a]C[5a,6a]N[6a])	128.2280	0.000	1	128.2280	0.000	1	128.2280	0.000	1	128.2280	0.000	1	127.1995	2.116	2	126.9310	2.565	4
643	727	977	0:SP2_SP-NON_SP2	C[6a]	C[5a,6a]	S	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[6a]-3:S-1:	C[5a,6a]-3:N[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(N[6a]C[6a,6a]H)(S)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]N[6a]S)	S(C[6a]C[5a,6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(N[6a]C[6a,6a]H)(S){1|N<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(N[5a,6]C[5a,6]C[6])(C[6a]N[6a]S){2|H<1>,4|C<3>}	S(C[6a]C[5a,6a]N[6a])	126.1710	0.000	1	126.1710	0.000	1	126.1710	0.000	1	126.1710	0.000	1	127.1995	2.116	2	126.9310	2.565	4
643	727	979	0:SP2_SP2_SP2	C[6a]	C[5,6a]	Si	3:3:3:	3:3:4:	3:3:2:	C[5,6a]-3:C[5,6a]-3:Si-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:P-2:	C[6a](C[5,6a]C[5,6a]C[5])2(SiC[6a]P)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC)	Si(C[6a]C[5,6a]2)(C[6a]C[6a]2)(PC[6a])	C[6a](C[5,6a]C[5,6a]C[5])2(SiC[6a]P){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	Si(C[6a]C[5,6a]2)(C[6a]C[6a]2)(PC[6a])	121.5895	0.534	2	121.5895	0.285	2	121.5895	0.285	2	121.5895	0.285	2	121.4183	0.343	4	121.4183	0.343	4
643	727	979	0:SP2_SP2_SP2	C[6a]	C[5,6a]	Si	3:3:3:	3:3:4:	3:3:3:	C[5,6a]-3:C[5,6a]-3:Si-3:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:Si-3:	C[6a](C[5,6a]C[5,6a]C[5])2(SiC[6a]Si)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC)	Si(C[6a]C[5,6a]2)(C[6a]C[6a]2)(SiC[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])2(SiC[6a]Si){1|C<3>,8|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]Si)(C[5]C[5]CC){1|C<3>,3|C<4>,3|H<1>}	Si(C[6a]C[5,6a]2)(C[6a]C[6a]2)(SiC[6a]2)	121.2470	0.792	2	121.2470	0.627	2	121.2470	0.627	2	121.2470	0.627	2	121.4183	0.343	4	121.4183	0.343	4
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5,6a]	C	3:3:2:	3:3:2:	3:1:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:N-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C(C[6a]C[5,6a]C[6a])(N)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]N)(CN){1|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|N<3>,1|O<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(N)	122.5600	0.000	1	122.5600	0.000	1	122.3970	0.053	2	120.0662	1.829	13	120.5125	4.412	53	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5,6a]	C	3:3:2:	3:3:2:	3:1:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:N-1:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[5,6a]N)(CN)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C(C[6a]C[5,6a]C[6a])(N)	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]N[5,6a]N)(CN){1|C<4>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(N)	122.2340	0.000	1	122.2340	0.000	1	122.3970	0.053	2	120.0662	1.829	13	120.5125	4.412	53	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5,6a]	C	3:3:2:	3:3:2:	3:1:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:N-1:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CN)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(S[5]C[5])	C(C[6a]C[5,6a]C[6a])(N)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CN){1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(S[5]C[5]){1|C<3>,1|S<1>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(N)	119.9865	0.692	2	119.5774	1.279	7	119.6048	1.083	9	120.0662	1.829	13	120.5125	4.412	53	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5,6a]	C	3:3:2:	3:3:2:	3:1:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:N-1:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CN)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(S[5]C[5])	C(C[6a]C[5,6a]C[6a])(N)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CN){1|H<1>,1|S<2>,2|C<3>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(S[5]C[5]){2|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(N)	119.4138	1.297	5	119.5774	1.279	7	119.6048	1.083	9	120.0662	1.829	13	120.5125	4.412	53	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5,6a]	C	3:3:2:	3:3:2:	3:1:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:N-1:	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CN)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(S[5]N[5])	C(C[6a]C[5,6a]C[6a])(N)	C[6a](C[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]C)(S[5]N[5]){1|C<3>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(N)	119.7005	0.981	2	119.7005	0.962	2	119.6048	1.083	9	120.0662	1.829	13	120.5125	4.412	53	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5,6a]	C	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(CN)	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]C)(S[5]C[5])	C(C[6a]C[5a,6a]C[5,6a])(N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(CN){1|N<2>,2|C<3>,2|S<2>}	C[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[5a,6a]C)(S[5]C[5]){1|C<2>,1|N<2>,2|C<3>}	C(C[6a]C[5a,6a]C[5,6a])(N)	119.8115	0.573	2	119.8115	0.329	2	119.8115	0.329	2	120.0662	1.829	13	120.5125	4.412	53	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5,6a]	C	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:C-2:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]Se[5])	C(C[6a]C[5,6a]C[6a])(CSi)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC){1|Se<2>,1|C<3>,1|H<1>,1|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]Se[5]){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[5,6a]C[6a])(CSi)	118.6935	0.383	2	118.6935	0.146	2	118.6935	0.146	2	119.8329	2.538	7	120.5125	4.412	53	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5,6a]	C	3:3:2:	3:3:2:	3:2:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:C-2:	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5])	C(C[6a]C[5,6a]C[6a])(CC[3])	C[6a](C[5,6a]C[5,6a]O[5])(C[6a]C[6a]H)(CC){1|C<3>,1|O<2>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(O[5]C[5]){1|C<4>,2|C<3>,4|H<1>}	C(C[6a]C[5,6a]C[6a])(CC[3])	122.1830	0.000	1	122.1830	0.000	1	122.1830	0.000	1	119.8329	2.538	7	120.5125	4.412	53	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5,6a]	C	3:3:2:	3:3:2:	3:2:	C[6a,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]C)(N[5]Se[5])	C(C[6a]C[6a,6a]C[5,6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[5,6a]C[5,6a]N[5])(CC){1|Se<2>,1|H<1>,1|N<2>,3|C<3>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]C)(N[5]Se[5]){1|C<2>,2|C<3>}	C(C[6a]C[6a,6a]C[5,6a])(CSi)	118.5455	0.514	2	118.5455	0.264	2	119.8150	2.320	4	119.8329	2.538	7	120.5125	4.412	53	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5,6a]	C	3:3:2:	3:3:2:	3:2:	C[6a,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]C)(N[5]Se[5])	C(C[6a]C[6a,6a]C[5,6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[5,6a]C[5,6a]N[5])(CC){1|Se<2>,2|C<3>,2|N<2>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a,6a]C)(N[5]Se[5]){1|C<2>,1|C<3>,1|N<2>}	C(C[6a]C[6a,6a]C[5,6a])(CSi)	121.0845	0.499	2	121.0845	0.249	2	119.8150	2.320	4	119.8329	2.538	7	120.5125	4.412	53	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5,6a]	C	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a,6a]-3:C-2:	C[5,6,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(CN)	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]C[5,6a])(N)	C[6a](C[5,6a]C[5,6,6a]C[5,6a])(C[6a,6a]C[6a,6a]C[6a])(CN){1|C<4>,1|H<1>,5|C<3>}	C[5,6a](C[5,6,6a]C[6,6a]C[5,6])(C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]C){1|C<4>,1|H<1>,6|C<3>}	C(C[6a]C[6a,6a]C[5,6a])(N)	120.8950	0.000	1	120.8950	0.000	1	120.8950	0.000	1	123.2070	4.694	6	120.5125	4.412	53	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5,6a]	C	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(N)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CN){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){4|C<3>,4|H<1>}	C(C[6a]C[5,6a]C[6a])(N)	121.1300	0.000	1	124.2150	7.335	3	123.9430	5.186	4	123.2070	4.694	6	120.5125	4.412	53	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5,6a]	C	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(N)	C[6a](C[5,6a]C[5,6a]2)(C[6a]C[6a]H)(CN){1|N<3>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|C<2>,1|O<1>,2|H<1>,3|C<3>}	C(C[6a]C[5,6a]C[6a])(N)	125.7575	0.629	2	124.2150	7.335	3	123.9430	5.186	4	123.2070	4.694	6	120.5125	4.412	53	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5,6a]	C	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]N)(CN)	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(N)	C[6a](C[5,6a]C[5,6a]2)(C[6a]N[6a]N)(CN){1|C<4>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]C){1|O<1>,2|C<3>,2|N<3>,3|H<1>}	C(C[6a]C[5,6a]C[6a])(N)	123.1270	0.000	1	123.1270	0.000	1	123.9430	5.186	4	123.2070	4.694	6	120.5125	4.412	53	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5,6a]	C	3:3:2:	3:3:3:	3:1:	C[5,6a]-3:C[6a]-3:C-2:	N[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:N-1:	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(CN)	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C)	C(C[6a]C[5,6a]C[6a])(N)	C[6a](C[5,6a]N[5,6a]N[5])(C[6a]C[6a]H)(CN){1|C<2>,2|C<3>,2|C<4>}	C[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]C){1|O<1>,2|C<3>,3|H<1>}	C(C[6a]C[5,6a]C[6a])(N)	122.5750	0.000	1	122.5750	0.000	1	122.5750	0.000	1	123.2070	4.694	6	120.5125	4.412	53	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5,6a]	C	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-2:	C[6a](C[5,6a]C[5,6a]C[5])2(CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]N[5]O)	C(C[6a]C[5,6a]2)(CC[6a])	C[6a](C[5,6a]C[5,6a]C[5])2(CC){2|N<3>,2|O<1>,3|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5,6a]C)(C[5]N[5]O){1|C<2>,1|C<4>,1|O<1>,2|C<3>}	C(C[6a]C[5,6a]2)(CC[6a])	123.2683	0.779	4	123.2683	0.607	4	123.2683	0.607	4	121.0809	4.449	13	120.5125	4.412	53	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5,6a]	C	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]O)	C(C[6a]C[5,6a]C[6a])(CC[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]O){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(CC[6a])	121.4110	0.000	1	120.9975	0.342	2	120.9975	0.342	2	121.0809	4.449	13	120.5125	4.412	53	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5,6a]	C	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:C-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]O)	C(C[6a]C[5,6a]C[6a])(CC[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CC){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(C[5]C[5]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(CC[6a])	120.5840	0.000	1	120.9975	0.342	2	120.9975	0.342	2	121.0809	4.449	13	120.5125	4.412	53	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5,6a]	C	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-2:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC)	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H)	C(C[6a]C[5,6a]C[6a])(CC)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(CC)	119.4200	0.000	2	119.4200	0.000	2	118.9752	1.902	5	121.0809	4.449	13	120.5125	4.412	53	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5,6a]	C	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-2:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	C(C[6a]C[5,6a]C[6a])(CC[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<2>,1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C(C[6a]C[5,6a]C[6a])(CC[6a])	119.5840	0.000	1	118.0595	4.648	2	118.9752	1.902	5	121.0809	4.449	13	120.5125	4.412	53	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5,6a]	C	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-2:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H)	C(C[6a]C[5,6a]C[6a])(CC[6a])	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC){1|C<4>,2|C<3>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(N[5]C[5]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(CC[6a])	116.5350	0.000	1	118.0595	4.648	2	118.9752	1.902	5	121.0809	4.449	13	120.5125	4.412	53	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5,6a]	C	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C-2:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC)	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]S[5]H)	C(C[6a]C[5,6a]C[6a])(CAu)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC){1|C<3>,1|N<3>,1|S<2>,2|H<1>}	C[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]C)(N[5]S[5]H){1|C<3>,3|H<1>}	C(C[6a]C[5,6a]C[6a])(CAu)	119.9170	0.000	1	119.9170	0.000	1	118.9752	1.902	5	121.0809	4.449	13	120.5125	4.412	53	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5,6a]	C	3:3:2:	3:3:3:	3:2:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:N[5]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC)	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(CSi)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(CC){1|H<1>,2|C<3>,2|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(N[5]C[6a]C[5])(C[6a]C[6a]C){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C(C[6a]C[5,6a]C[6a])(CSi)	122.0540	0.635	2	122.0540	0.403	2	122.0540	0.403	2	121.0809	4.449	13	120.5125	4.412	53	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5,6a]	C	3:3:2:	3:3:4:	3:1:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:N-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C(C[6a]C[5,6a]C[6a])(N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(CN){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|N<3>,2|C<3>,4|H<1>}	C(C[6a]C[5,6a]C[6a])(N)	118.2020	0.000	1	118.2020	0.000	1	118.2020	0.000	1	118.2020	0.000	1	120.5125	4.412	53	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5,6a]	C	3:3:2:	3:3:4:	3:2:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C[6a])(CC)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C(C[6a]C[5,6a]C[6a])(CC[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C[6a])(CC){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|Se<2>,2|H<1>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(CC[6a])	119.0985	0.148	2	119.0985	0.022	2	118.4347	0.963	7	118.4347	0.963	7	120.5125	4.412	53	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5,6a]	C	3:3:2:	3:3:4:	3:2:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C[6a])(CC)	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C(C[6a]C[5,6a]C[6a])(CC[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5a,6a]C[6a])(CC){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|N<2>,2|H<1>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(CC[6a])	117.4830	0.000	1	117.4830	0.000	1	118.4347	0.963	7	118.4347	0.963	7	120.5125	4.412	53	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5,6a]	C	3:3:2:	3:3:4:	3:2:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a])(CC)	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C(C[6a]C[5,6a]C[6a])(CC[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a,6a]C[6a])(CC){2|C<4>,2|H<1>,4|C<3>}	C[5,6a](C[5,6a]C[6a,6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){2|H<1>,5|C<3>}	C(C[6a]C[5,6a]C[6a])(CC[6a])	116.7010	0.000	1	116.7010	0.000	1	118.4347	0.963	7	118.4347	0.963	7	120.5125	4.412	53	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5,6a]	C	3:3:2:	3:3:4:	3:2:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH)	C(C[6a]C[5,6a]C[6a])(CC[6a])	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(CC){2|C<4>,3|C<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]C[5]HH){1|Cl<1>,2|H<1>,4|C<3>}	C(C[6a]C[5,6a]C[6a])(CC[6a])	118.8935	0.589	2	118.8935	0.347	2	118.4347	0.963	7	118.4347	0.963	7	120.5125	4.412	53	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5,6a]	C	3:3:2:	3:3:4:	3:2:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C-2:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Si)(CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH)	C(C[6a]C[5,6a]C[6a])(CSi)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]Si)(CC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]C)(C[5]N[5]HH){1|Cl<1>,1|Si<4>,1|C<3>,1|S<4>,2|H<1>}	C(C[6a]C[5,6a]C[6a])(CSi)	118.8750	0.000	1	118.8750	0.000	1	118.4347	0.963	7	118.4347	0.963	7	120.5125	4.412	53	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5,6a]	C	3:3:2:	3:4:3:	3:1:	C[5,6a]-3:C[6a]-3:C-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CN)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]C)	C(C[6a]C[5,6a]C[6a])(N)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(CN){1|C<3>,2|C<4>,3|H<1>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[5,6]HH)(C[6a]C[6a]C){1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C(C[6a]C[5,6a]C[6a])(N)	120.1223	0.610	3	120.1223	0.372	3	120.1223	0.372	3	120.1223	0.372	3	120.5125	4.412	53	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5,6a]	C	3:3:2:	3:4:3:	3:2:	C[5,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[5,6a]C[5,6a]C[5])2(CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[5,6a]C)	C(C[6a]C[5,6a]2)(CSi)	C[6a](C[5,6a]C[5,6a]C[5])2(CC){4|C<4>,5|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]2C[5])(C[6a]C[5,6a]C){3|C<4>,3|H<1>,5|C<3>}	C(C[6a]C[5,6a]2)(CSi)	120.9415	1.211	2	120.9415	1.467	2	120.9415	1.467	2	122.1897	5.407	3	120.5125	4.412	53	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5,6a]	C	3:3:2:	3:4:3:	3:2:	C[5a,6a]-3:C[5,6a]-3:C-2:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]C[5])(CC)	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[5a,6a]C)	C(C[6a]C[5a,6a]C[5,6a])(CC[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]C[5])(CC){1|H<1>,6|C<3>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[5a,6a]C){1|H<1>,1|S<2>,5|C<3>}	C(C[6a]C[5a,6a]C[5,6a])(CC[6a])	124.6860	0.000	1	124.6860	0.000	1	124.6860	0.000	1	122.1897	5.407	3	120.5125	4.412	53	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:2:2:	3:3:3:	3:1:	C[5a,6a]-3:N[6a]-2:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CN)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C)	C(C[6a]C[5a,6a]N[6a])(N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CN){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C(C[6a]C[5a,6a]N[6a])(N)	122.8370	0.000	1	122.8370	0.000	1	122.8370	0.000	1	122.8370	0.000	1	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:2:2:	3:3:3:	3:2:	C[5a,6a]-3:N[6a]-2:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C)	C(C[6a]C[5a,6a]N[6a])(CH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C(C[6a]C[5a,6a]N[6a])(CH)	123.6720	0.000	1	123.5660	0.407	3	123.5660	0.407	3	123.5660	0.407	3	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:2:2:	3:3:3:	3:2:	C[5a,6a]-3:N[6a]-2:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C)	C(C[6a]C[5a,6a]N[6a])(CH)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(CC){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]C)(N[5a]C[5a]C){1|C<3>,1|H<1>}	C(C[6a]C[5a,6a]N[6a])(CH)	123.5130	0.892	2	123.5660	0.407	3	123.5660	0.407	3	123.5660	0.407	3	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:2:3:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CN)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CN){1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|C<2>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(N)	120.0662	0.503	6	120.0662	0.253	6	120.0662	0.253	6	119.6941	0.782	9	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:2:3:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CN){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(N)	120.0130	0.000	1	120.0130	0.000	1	120.0130	0.000	1	119.6941	0.782	9	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:2:3:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CN)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CN){4|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|H<1>,1|N<2>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(N)	119.0510	0.000	1	119.0510	0.000	1	118.4185	0.800	2	119.6941	0.782	9	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:2:3:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	N[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CN)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CN){1|C<4>,3|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]C){1|C<4>,1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(N)	117.7860	0.000	1	117.7860	0.000	1	118.4185	0.800	2	119.6941	0.782	9	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:2:3:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(CC[3x6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<4>,1|N<3>,2|C<3>}	C[5a,6a](C[5a,6a]N[5a,6]C[6a])(N[5a]C[5a,6])(C[6a]C[6a]C){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(CC[3x6])	120.4425	1.303	2	120.4425	1.698	2	120.4425	1.698	2	120.4425	1.698	2	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[5,6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]C)(N[5a]S[5a])	C(C[6a]C[5a,6a]C[5,6a])(N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(CN){1|N<2>,2|C<3>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5,6a]C)(N[5a]S[5a]){1|C<2>,1|C<3>,1|S<2>}	C(C[6a]C[5a,6a]C[5,6a])(N)	121.7335	0.523	2	121.7335	0.273	2	121.7335	0.273	2	118.8792	3.731	35	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]O[5a])	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(CN){1|H<1>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]O[5a]){2|C<3>,2|N<3>}	C(C[6a]C[5a,6a]C[6a])(N)	118.5325	0.037	2	118.5325	0.001	2	120.0519	1.124	16	118.8792	3.731	35	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]O[5a])	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]O[5a]){1|H<1>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(N)	121.1673	0.420	3	121.1673	0.176	3	120.0519	1.124	16	118.8792	3.731	35	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|H<1>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(N)	120.0902	0.922	10	120.0902	0.851	10	120.0519	1.124	16	118.8792	3.731	35	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(CN)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]S)(CN){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|S<2>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(N)	119.3620	0.000	1	119.3620	0.000	1	120.0519	1.124	16	118.8792	3.731	35	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(CN)	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a])	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a,6a]H)(CN){4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(S[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(N)	119.5880	0.136	2	119.5880	0.018	2	118.7230	1.628	4	118.8792	3.731	35	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)(CN)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(S[5a]C[5a])	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]2)(CN){1|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(S[5a]C[5a]){1|H<1>,1|O<2>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(N)	116.8900	0.000	1	116.8900	0.000	1	118.7230	1.628	4	118.8792	3.731	35	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CN)	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(S[5a]C[5a])	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(CN){1|H<1>,1|S<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)(S[5a]C[5a]){1|C<3>,1|O<1>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(N)	118.8260	0.000	1	118.8260	0.000	1	118.7230	1.628	4	118.8792	3.731	35	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CN)	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CN){4|C<3>}	C[5a,6a](N[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,1|N<2>,3|H<1>}	C(C[6a]C[5a,6a]C[6a])(N)	117.6930	0.000	1	117.6930	0.000	1	117.0448	1.893	13	118.8792	3.731	35	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CN)	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a,6a]H)(CN){2|C<3>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|H<1>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(N)	118.6840	0.120	2	118.6840	0.014	2	117.0448	1.893	13	118.8792	3.731	35	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(CN)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(CN){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(N)	116.3555	0.159	2	116.2620	1.053	8	117.0448	1.893	13	118.8792	3.731	35	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(CN)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a])	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(CN){1|H<1>,1|N<2>,4|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]C[5a]){1|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(N)	116.2308	1.210	6	116.2620	1.053	8	117.0448	1.893	13	118.8792	3.731	35	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(CN)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]2)(CN){1|H<1>,2|N<2>,3|C<3>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){3|C<3>}	C(C[6a]C[5a,6a]C[6a])(N)	117.2370	0.000	1	117.2370	0.000	1	117.0448	1.893	13	118.8792	3.731	35	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	N[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:N-1:	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CN)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a])	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]N[5a,6a]N[5a])(C[6a]C[6a]H)(CN){1|C<3>,1|H<1>,2|N<2>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]N[5a]){1|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(N)	119.1890	0.000	1	119.1890	0.000	1	117.0448	1.893	13	118.8792	3.731	35	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:2:	C[5a,6a]-3:C[5,6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]C[5])(CC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(S[5a]C[5a])	C(C[6a]C[5a,6a]C[5,6a])(CC[6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[5,6a]C[5,6a]C[5])(CC){1|H<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5,6a]C)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[5,6a])(CC[6a])	118.7370	0.000	1	118.7370	0.000	1	118.7370	0.000	1	120.9274	1.763	55	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:2:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(CC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)(N[5a]C[5a])	C(C[6a]C[5a,6a]2)(CC[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(CC){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)(N[5a]C[5a]){1|C<2>,1|O<2>,2|C<3>}	C(C[6a]C[5a,6a]2)(CC[6a])	124.2990	0.048	2	124.2990	0.002	2	123.4690	0.921	4	120.9274	1.763	55	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:2:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)(N[5a]S[5a])	C(C[6a]C[5a,6a]2)(CSi)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CC){1|C<3>,2|N<2>,2|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)(N[5a]S[5a]){1|C<2>,1|C<3>,1|N<2>}	C(C[6a]C[5a,6a]2)(CSi)	122.6390	0.081	2	122.6390	0.006	2	123.4690	0.921	4	120.9274	1.763	55	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:2:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(CC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a])	C(C[6a]C[5a,6a]2)(CC[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(CC){1|C<2>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a]){1|N<3>,2|C<2>,2|C<3>}	C(C[6a]C[5a,6a]2)(CC[6a])	121.3630	0.000	1	121.3630	0.000	1	122.9050	1.537	4	120.9274	1.763	55	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:2:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(CC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a])	C(C[6a]C[5a,6a]2)(CH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(CC){1|C<2>,1|O<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(O[5a]C[5a]){1|N<3>,2|C<2>,2|C<3>}	C(C[6a]C[5a,6a]2)(CH)	122.4930	0.000	1	122.4930	0.000	1	122.9050	1.537	4	120.9274	1.763	55	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:2:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:O[5a]-2:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)(O[5a]C[5a])	C(C[6a]C[5a,6a]2)(CC[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[5a,6a]C[5a,6a]O[5a])(CC){1|N<2>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[5a,6a]C)(O[5a]C[5a]){1|C<2>,1|N<2>,2|C<3>}	C(C[6a]C[5a,6a]2)(CC[6a])	123.8820	0.393	2	123.8820	0.155	2	122.9050	1.537	4	120.9274	1.763	55	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:2:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:S[5a]-2:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(CC)	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,5a])	C(C[6a]C[5a,6a]2)(CSi)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(CC){2|S<2>,4|C<3>}	C[5a,6a](C[5a,6a]C[5a,5a]C[6a])(C[6a]C[5a,6a]C)(S[5a]C[5a,5a]){1|C<2>,1|S<2>,3|C<3>}	C(C[6a]C[5a,6a]2)(CSi)	122.4790	0.000	1	122.4790	0.000	1	122.4790	0.000	1	120.9274	1.763	55	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:2:	C[5a,6a]-3:C[6a,6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C)(N[5a]S[5a])	C(C[6a]C[5a,6a]C[6a,6a])(CSi)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a,6a]C[6a,6a]N[6a])(CC){1|S<2>,2|C<3>,2|N<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]C)(N[5a]S[5a]){1|C<2>,1|C<3>,1|N<2>}	C(C[6a]C[5a,6a]C[6a,6a])(CSi)	120.8007	0.605	6	120.8007	0.366	6	120.8007	0.366	6	120.9274	1.763	55	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C(C[6a]C[5a,6a]C[6a])(CB[5x3,5x5,20x6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|H<1>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(CB[5x3,5x5,20x6])	121.6448	1.148	4	121.6448	1.317	4	120.4997	0.792	39	120.9274	1.763	55	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C(C[6a]C[5a,6a]C[6a])(CC[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[5a,6a]C[6a])(CC[5])	120.3195	0.078	2	120.6303	0.435	8	120.4997	0.792	39	120.9274	1.763	55	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C(C[6a]C[5a,6a]C[6a])(CC[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[5a,6a]C[6a])(CC[5])	120.7338	0.945	4	120.6303	0.435	8	120.4997	0.792	39	120.9274	1.763	55	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C(C[6a]C[5a,6a]C[6a])(CC[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[5a,6a]C[6a])(CC[5])	120.5110	0.000	1	120.6303	0.435	8	120.4997	0.792	39	120.9274	1.763	55	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C(C[6a]C[5a,6a]C[6a])(CC[5])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(CC[5])	120.9570	0.000	1	120.6303	0.435	8	120.4997	0.792	39	120.9274	1.763	55	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C(C[6a]C[5a,6a]C[6a])(CC[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[5a,6a]C[6a])(CC[6])	120.0620	1.011	2	120.0620	1.022	2	120.4997	0.792	39	120.9274	1.763	55	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C(C[6a]C[5a,6a]C[6a])(CC[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|Br<1>,1|C<3>,1|H<1>}	C(C[6a]C[5a,6a]C[6a])(CC[6a])	120.0620	1.148	2	120.2694	0.627	24	120.4997	0.792	39	120.9274	1.763	55	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C(C[6a]C[5a,6a]C[6a])(CC[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<2>,1|C<3>,1|H<1>}	C(C[6a]C[5a,6a]C[6a])(CC[6a])	119.7833	0.761	7	120.2694	0.627	24	120.4997	0.792	39	120.9274	1.763	55	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C(C[6a]C[5a,6a]C[6a])(CC[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<3>,1|H<1>,1|N<3>}	C(C[6a]C[5a,6a]C[6a])(CC[6a])	120.8388	0.526	4	120.2694	0.627	24	120.4997	0.792	39	120.9274	1.763	55	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C(C[6a]C[5a,6a]C[6a])(CC[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(CC[6a])	120.4700	0.000	1	120.2694	0.627	24	120.4997	0.792	39	120.9274	1.763	55	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C(C[6a]C[5a,6a]C[6a])(CC[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|H<1>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(CC[6a])	120.4034	0.785	10	120.2694	0.627	24	120.4997	0.792	39	120.9274	1.763	55	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:2:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a])	C(C[6a]C[5a,6a]C[6a])(CFe)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)(N[5a]S[5a]){1|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(CFe)	121.2790	0.000	1	121.2790	0.000	1	120.4997	0.792	39	120.9274	1.763	55	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	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[6a]-3:N[5a]-3:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H)	C(C[6a]C[5a,6a]2)(N)	C[6a](C[5a,6a]C[5a,6a]N[5a])2(CN){2|H<1>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[6a]C[5a,6a]C)(N[5a]C[5a,6a]H){1|N<3>,4|C<3>}	C(C[6a]C[5a,6a]2)(N)	122.1685	0.568	2	122.1685	0.322	2	122.1685	0.322	2	121.1015	8.771	13	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(CN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(CN){1|N<3>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]C){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(N)	117.5250	0.000	1	117.5250	0.000	1	121.2843	8.306	4	121.1015	8.771	13	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CN){1|H<1>,1|S<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]S[5a])(C[6a]C[6a]C){3|C<3>,3|H<1>}	C(C[6a]C[5a,6a]C[6a])(N)	120.6100	0.000	1	120.6100	0.000	1	121.2843	8.306	4	121.1015	8.771	13	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(CN){1|H<1>,1|N<3>,3|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a,6a]C[5a,6a]2)(C[6a]C[6a]C){1|C<4>,2|H<1>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(N)	123.5010	0.710	2	123.5010	0.504	2	121.2843	8.306	4	121.1015	8.771	13	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CN)	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]O)(CN){1|N<3>,4|C<3>}	C[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]C){1|O<2>,2|C<3>,2|C<4>}	C(C[6a]C[5a,6a]C[6a])(N)	124.4920	0.000	1	124.4920	0.000	1	121.7226	5.727	5	121.1015	8.771	13	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CN){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<2>,2|C<3>,2|H<1>}	C(C[6a]C[5a,6a]C[6a])(N)	118.7000	0.000	1	119.3450	0.832	2	121.7226	5.727	5	121.1015	8.771	13	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CN)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CN){1|N<3>,2|C<3>,2|H<1>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,4|H<1>}	C(C[6a]C[5a,6a]C[6a])(N)	119.9900	0.000	1	119.3450	0.832	2	121.7226	5.727	5	121.1015	8.771	13	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CN)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CN){1|Cl<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]C){1|Cl<1>,1|C<2>,1|C<3>,1|O<2>}	C(C[6a]C[5a,6a]C[6a])(N)	121.9640	0.000	1	122.7155	1.130	2	121.7226	5.727	5	121.1015	8.771	13	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CN)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CN){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[5a]C[5a]N)(C[6a]C[6a]C){1|H<1>,1|O<2>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(N)	123.4670	0.000	1	122.7155	1.130	2	121.7226	5.727	5	121.1015	8.771	13	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CN){1|C<4>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){1|O<2>,4|C<3>}	C(C[6a]C[5a,6a]C[6a])(N)	122.2960	0.000	1	122.2960	0.000	1	122.2960	0.000	1	121.1015	8.771	13	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:1:	C[5a,6a]-3:C[6a]-3:C-2:	N[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:N-1:	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C[5])(CN)	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(N)	C[6a](C[5a,6a]N[5a,6a]C[5a])(C[6a]C[6a]C[5])(CN){1|Fe<10>,1|N<2>,2|C<3>,2|C<4>,2|H<1>}	C[5a,6a](N[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|C<3>,2|C<4>}	C(C[6a]C[5a,6a]C[6a])(N)	113.9370	0.000	1	113.9370	0.000	1	113.9370	0.000	1	121.1015	8.771	13	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:2:	C[5a,6a]-3:C[5a,6a]-3:C-2:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(CC)	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C)	C(C[6a]C[5a,6a]2)(CSi)	C[6a](C[5a,6a]C[5a,5a]C[5a,6a])(C[5a,6a]C[5a,6a]S[5a])(CC){2|S<2>,4|C<3>}	C[5a,6a](C[5a,5a]C[5a,5a]S[5a])(C[5a,6a]C[6a]S[5a])(C[6a]C[5a,6a]C){1|C<2>,1|S<2>,3|C<3>}	C(C[6a]C[5a,6a]2)(CSi)	119.7760	0.000	1	119.7760	0.000	1	119.7760	0.000	1	121.5594	7.918	60	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	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,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)	C(C[6a]C[5a,6a]2)(CSi)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(CC){1|O<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C){1|C<2>,1|H<1>,1|O<1>,4|C<3>}	C(C[6a]C[5a,6a]2)(CSi)	122.3660	0.000	1	122.3660	0.000	1	122.3660	0.000	1	121.5594	7.918	60	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	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[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[5a,6a]C)	C(C[6a]C[5a,6a]2)(CSi)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]2)(CC){1|O<1>,6|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]O)(C[6a]C[5a,6a]C){1|C<2>,4|C<3>}	C(C[6a]C[5a,6a]2)(CSi)	121.1980	0.000	1	121.1980	0.000	1	119.4962	1.025	5	121.5594	7.918	60	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	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[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[5a])(CC)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5a,6a]C)	C(C[6a]C[5a,6a]2)(CC)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[5a])(CC){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5a,6a]C){1|C<2>,1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]2)(CC)	118.6650	0.000	1	118.6650	0.000	1	119.4962	1.025	5	121.5594	7.918	60	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	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[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(CC)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5a,6a]C)	C(C[6a]C[5a,6a]2)(CC)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(CC){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5a,6a]C){1|C<2>,1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]2)(CC)	119.4140	0.000	1	119.4140	0.000	1	119.4962	1.025	5	121.5594	7.918	60	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	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[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(CC)	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5a,6a]C)	C(C[6a]C[5a,6a]2)(CSi)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(CC){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]H)(C[6a]C[5a,6a]C){1|C<2>,1|N<3>,3|C<3>}	C(C[6a]C[5a,6a]2)(CSi)	119.1020	0.444	2	119.1020	0.197	2	119.4962	1.025	5	121.5594	7.918	60	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	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]-3:C[5a]-3:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(CC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)(C[5a]C[5a]C)	C(C[6a]C[5a,6a]2)(CC[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(CC){1|C<2>,1|O<2>,4|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[6a]C[5a,6a]2)(CC[6a])	125.3920	0.000	1	125.3920	0.000	1	123.3144	1.618	14	121.5594	7.918	60	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	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]-3:C[5a]-3:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(CC)	C[5a,6a](C[5a,6a]C[6a]O[5a])(C[6a]C[5a,6a]C)(C[5a]C[5a]C)	C(C[6a]C[5a,6a]2)(CH)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]O[5a])(CC){1|C<2>,1|O<2>,4|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[6a]C[5a,6a]2)(CH)	123.9460	0.000	1	123.9460	0.000	1	123.3144	1.618	14	121.5594	7.918	60	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	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]-3:C[5a]-3:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])2(CC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(C[5a]N[5a]O)	C(C[6a]C[5a,6a]2)(CC[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])2(CC){2|N<3>,2|O<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)(C[5a]N[5a]O){1|C<2>,1|C<4>,1|O<1>,2|C<3>}	C(C[6a]C[5a,6a]2)(CC[6a])	123.0886	1.195	12	123.0886	1.427	12	123.3144	1.618	14	121.5594	7.918	60	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	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:N[5a,6]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[5a])(CC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[5a,6a]C)	C(C[6a]C[5a,6a]2)(CC)	C[6a](C[5a,6a]C[5a,6a]N[5a,6])(C[5a,6a]C[5a,6a]C[5a])(CC){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(N[5a,6]C[5a,6]C[6])(C[6a]C[5a,6a]C){1|C<2>,2|H<1>,4|C<3>}	C(C[6a]C[5a,6a]2)(CC)	125.6360	0.000	1	125.6360	0.000	1	125.6360	0.000	1	121.5594	7.918	60	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:2:	C[5a,6a]-3:C[5a,6a]-3:C-2:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(CC)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)	C(C[6a]C[5a,6a]2)(CC)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(CC){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C){1|C<2>,2|H<1>,4|C<3>}	C(C[6a]C[5a,6a]2)(CC)	124.8950	0.000	1	124.8950	0.000	1	125.0857	0.338	3	121.5594	7.918	60	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:2:	C[5a,6a]-3:C[5a,6a]-3:C-2:	N[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(CC)	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C)	C(C[6a]C[5a,6a]2)(CSi)	C[6a](C[5a,6a]C[5a,6a]N[5a,6a])(C[5a,6a]C[5a,6a]C[5a])(CC){1|H<1>,1|N<3>,5|C<3>}	C[5a,6a](N[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]C){1|C<2>,2|H<1>,4|C<3>}	C(C[6a]C[5a,6a]2)(CSi)	125.1810	0.788	2	125.1810	0.620	2	125.0857	0.338	3	121.5594	7.918	60	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CC)	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(CC[6a])	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O)(CC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<2>,1|C<4>,1|O<2>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(CC[6a])	121.0540	0.548	3	121.0540	0.301	3	121.0540	0.301	3	121.5594	7.918	60	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]P)	C(C[6a]C[5a,6a]C[6a])(CSi)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|F<1>,1|P<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]P){1|C<3>,4|H<1>}	C(C[6a]C[5a,6a]C[6a])(CSi)	129.9490	0.000	1	129.9490	0.000	1	125.8985	9.002	4	121.5594	7.918	60	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:C[6a]-3:N[5a]-3:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC)	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C)	C(C[6a]C[5a,6a]C[6a])(CC[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]O)(CC){1|C<4>,1|O<2>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]C)(N[5a]C[5a]C){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C(C[6a]C[5a,6a]C[6a])(CC[6a])	124.5483	1.602	3	124.5483	2.566	3	125.8985	9.002	4	121.5594	7.918	60	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(CC[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CC[6])	125.3570	0.000	1	125.3570	0.000	1	119.9961	5.447	28	121.5594	7.918	60	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(CC[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){2|C<4>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]C)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CC[6a])	123.9190	0.318	2	123.9190	0.101	2	119.9961	5.447	28	121.5594	7.918	60	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(CC)	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CC)	119.2770	2.177	10	119.2770	4.739	10	119.9961	5.447	28	121.5594	7.918	60	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(CC[6])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CC[6])	119.7203	2.292	3	119.7203	5.253	3	119.9961	5.447	28	121.5594	7.918	60	120.7378	5.688	178	120.6861	5.383	231
643	727	983	0:SP2_SP1_SP2	C[6a]	C[5a,6a]	C	3:3:2:	3:3:3:	3:2:	C[5a,6a]-3:C[6a]-3:C-2:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C)	C(C[6a]C[5a,6a]C[6a])(CC[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CC){1|C<4>,1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a]H)(C[6a]C[6a]C){2|H<1>,3|C<3>}	C(C[6a]C[5a,6a]C[6a])(CC[6a])	119.5637	1.556	12	119.5637	2.421	12	119.9961	5.447	28	121.5594	7.918	60	120.7378	5.688	178	120.6861	5.383	231
643	727	992	0:SP2_SP2_SP3	C[6a]	C[5,6a]	P	3:3:4:	3:3:3:	3:3:3:1:	C[5,6a]-3:C[6a]-3:P-4:	C[5,6a]-3:C[6a]-3:N[5]-3:	C[6a]-3:C[6a]-3:C[6a]-3:S-1:	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(PC[6a]2S)	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]P)(N[5]C[5,6]C)	P(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(S)	C[6a](C[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(PC[6a]2S){2|C<3>,3|C<4>}	C[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6a]P)(N[5]C[5,6]C){1|C<3>,2|C<4>,4|H<1>}	P(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(S)	128.3550	0.000	1	128.3550	0.000	1	128.3550	0.000	1	128.3550	0.000	1	120.6928	35.186	6	122.6336	11.991	46
643	727	992	0:SP2_SP2_SP3	C[6a]	C[5,6a]	P	3:3:4:	3:3:4:	3:3:3:1:	C[5,6a]-3:C[6a]-3:P-4:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-1:	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C[6a])(PC[6a]2O)	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]P)(C[5]O[5]HH)	P(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[5,6a]C[6a])(PC[6a]2O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[5,6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]P)(C[5]O[5]HH){1|C<4>,2|C<3>,2|H<1>}	P(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O)	113.6405	0.538	2	113.6405	0.290	2	113.6405	0.290	2	113.6405	0.290	2	120.6928	35.186	6	122.6336	11.991	46
643	727	992	0:SP2_SP2_SP3	C[6a]	C[5,6a]	P	3:3:4:	3:4:3:	3:3:3:1:	C[5,6a]-3:C[6a]-3:P-4:	C[5,6a]-3:C[5,5]-4:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-1:	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(PC[6a]2O)	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]P)	P(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O)	C[6a](C[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(PC[6a]2O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6a](C[5,6a]C[6a]C[5])(C[5,5]C[5]2N[5])(C[6a]C[6a]P){1|C<4>,2|C<3>,9|H<1>}	P(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)2(O)	122.8403	1.347	3	122.8403	1.814	3	122.8403	1.814	3	122.8403	1.814	3	120.6928	35.186	6	122.6336	11.991	46
643	727	992	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	P	3:2:4:	3:3:2:	3:2:2:1:	C[5a,6a]-3:N[6a]-2:P-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:O-2:O-2:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(PO3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]P)(N[5a]C[5a])	P(C[6a]C[5a,6a]N[6a])(OC)2(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(PO3){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]P)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[5a,6a]N[6a])(OC)2(O)	124.5230	1.389	2	125.2897	2.728	3	125.2897	2.728	3	125.2897	2.728	3	122.9247	8.658	40	122.6336	11.991	46
643	727	992	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	P	3:2:4:	3:3:2:	3:2:2:1:	C[5a,6a]-3:N[6a]-2:P-4:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:O-2:O-2:O-1:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(PO3)	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]P)(N[5a]C[5a])	P(C[6a]C[5a,6a]N[6a])(OC)2(O)	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(PO3){1|Cl<1>,1|C<3>,1|N<2>,1|N<3>}	C[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]P)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	P(C[6a]C[5a,6a]N[6a])(OC)2(O)	126.8230	0.000	1	125.2897	2.728	3	125.2897	2.728	3	125.2897	2.728	3	122.9247	8.658	40	122.6336	11.991	46
643	727	992	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	P	3:3:4:	3:2:3:	3:3:2:4:	C[5a,6a]-3:C[6a]-3:P-4:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:N-2:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]CN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NC[6a])(CH3)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]CN){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NC[6a])(CH3)	125.2602	2.470	4	125.2602	6.102	4	125.2602	6.102	4	123.8490	4.478	11	122.9247	8.658	40	122.6336	11.991	46
643	727	992	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	P	3:3:4:	3:2:3:	3:3:2:4:	C[5a,6a]-3:C[6a]-3:P-4:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:B-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]BO)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(OC[6])(BH3)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]BO){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(OC[6])(BH3)	123.0426	1.525	7	123.0426	2.325	7	123.0426	2.325	7	123.8490	4.478	11	122.9247	8.658	40	122.6336	11.991	46
643	727	992	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	P	3:3:4:	3:2:3:	3:3:3:1:	C[5a,6a]-3:C[6a]-3:P-4:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-1:	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(PC[6a]2O)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]P)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2(O)	C[6a](C[5a,6a]C[5a,6a]S[5a])(C[6a]C[6a]H)(PC[6a]2O){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2(O)	120.6080	1.405	3	120.6080	1.975	3	120.6080	1.975	3	120.6080	1.975	3	122.9247	8.658	40	122.6336	11.991	46
643	727	992	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	P	3:3:4:	3:2:3:	3:3:3:2:	C[5a,6a]-3:C[6a]-3:P-4:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]2N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2(NC[6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]2N){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2(NC[6a])	125.5684	3.955	5	125.5684	15.644	5	125.5684	15.644	5	125.5684	15.644	5	122.9247	8.658	40	122.6336	11.991	46
643	727	992	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	P	3:3:4:	3:2:3:	3:3:3:3:	C[5a,6a]-3:C[6a]-3:P-4:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]2N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2(NC[6a]H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]2N){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2(NC[6a]H)	117.3770	0.000	1	117.3770	0.000	1	119.2190	1.121	7	119.2190	1.121	7	122.9247	8.658	40	122.6336	11.991	46
643	727	992	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	P	3:3:4:	3:2:3:	3:3:3:3:	C[5a,6a]-3:C[6a]-3:P-4:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]2N)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2(NC[6a]Zn)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]2N){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)2(NC[6a]Zn)	119.5260	0.744	6	119.5260	0.554	6	119.2190	1.121	7	119.2190	1.121	7	122.9247	8.658	40	122.6336	11.991	46
643	727	992	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	P	3:3:4:	3:2:3:	3:3:3:4:	C[5a,6a]-3:C[6a]-3:P-4:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]CN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)(CH3)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]CN){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NC[6a]H)(CH3)	121.1343	2.520	3	121.1343	6.351	3	121.3780	4.471	4	121.3780	4.471	4	122.9247	8.658	40	122.6336	11.991	46
643	727	992	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	P	3:3:4:	3:2:3:	3:3:3:4:	C[5a,6a]-3:C[6a]-3:P-4:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:N-3:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]CN)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NC[6a]Zn)(CH3)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]CN){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(NC[6a]Zn)(CH3)	122.1090	0.000	1	122.1090	0.000	1	121.3780	4.471	4	121.3780	4.471	4	122.9247	8.658	40	122.6336	11.991	46
643	727	992	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	P	3:3:4:	3:2:3:	3:3:4:4:	C[5a,6a]-3:C[6a]-3:P-4:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:C[6a]-3:B-4:C-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]BC)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P)	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(BH3)(CH3)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PC[6a]BC){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	P(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(BH3)(CH3)	123.7010	0.956	5	123.7010	0.913	5	123.7010	0.913	5	123.7010	0.913	5	122.9247	8.658	40	122.6336	11.991	46
643	727	992	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	P	3:4:3:	3:2:3:	3:4:3:4:	C[5a,6a]-3:P-4:C[6a]-3:	C[5a,6a]-3:O[5a]-2:C[6a]-3:	C[6a]-3:C[5]-4:C[6a]-3:B-4:	C[6a](C[5a,6a]C[5a,6a]O[5a])(PC[6a]C[5]B)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P)	P(C[6a]C[5a,6a]C[6a])(C[5]C[5]2Fe)(C[6a]C[6a]2)(BH3)	C[6a](C[5a,6a]C[5a,6a]O[5a])(PC[6a]C[5]B)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	P(C[6a]C[5a,6a]C[6a])(C[5]C[5]2Fe)(C[6a]C[6a]2)(BH3)	125.4540	0.000	1	125.4540	0.000	1	125.4540	0.000	1	125.2820	0.059	2	122.9247	8.658	40	122.6336	11.991	46
643	727	992	0:SP2_SP2_SP3	C[6a]	C[5a,6a]	P	3:4:3:	3:2:3:	3:4:3:4:	C[5a,6a]-3:P-4:C[6a]-3:	C[5a,6a]-3:S[5a]-2:C[6a]-3:	C[6a]-3:C[5]-4:C[6a]-3:B-4:	C[6a](C[5a,6a]C[5a,6a]S[5a])(PC[6a]C[5]B)(C[6a]C[6a]H)	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]P)	P(C[6a]C[5a,6a]C[6a])(C[5]C[5]2Fe)(C[6a]C[6a]2)(BH3)	C[6a](C[5a,6a]C[5a,6a]S[5a])(PC[6a]C[5]B)(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[5a,6a](C[5a,6a]C[5a,6a]C[6a])(S[5a]C[5a,6a])(C[6a]C[6a]P){2|H<1>,3|C<3>}	P(C[6a]C[5a,6a]C[6a])(C[5]C[5]2Fe)(C[6a]C[6a]2)(BH3)	125.1100	0.000	1	125.1100	0.000	1	125.1100	0.000	1	125.2820	0.059	2	122.9247	8.658	40	122.6336	11.991	46
643	762	813	6:SP2_SP2_SP2	C[6,6a]	C[6]	N[5a,6,6a]	3:3:3:	3:3:1:	3:3:3:	N[5a,6,6a]-3:C[6a,6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6,6a]-3:	C[6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]H)	C[6](C[6,6a]N[5a,6,6a]C[6a,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[6,6a](N[5a,6,6a]C[5a,6a]C[5a,6])(C[6a,6a]C[6a,6a]C[6a])(C[6]C[6]H){2|H<1>,6|C<3>}	C[6](C[6,6a]N[5a,6,6a]C[6a,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>}	116.7230	0.000	1	116.7230	0.000	1	116.7230	0.000	1	116.7230	0.000	1	116.7230	0.000	1	116.7230	0.000	1
643	762	927	6:SP2_SP2_SP2	C[6,6a]	C[6]	B[6,6a,6a]	3:3:3:	3:4:1:	3:3:3:	B[6,6a,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-4:O-1:	C[6,6a]-3:C[6,6a]-3:N[6a,6a]-3:	C[6,6a](B[6,6a,6a]N[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O)	C[6](C[6,6a]B[6,6a,6a]C[6a])(C[6]C[6]CH)(O)	B[6,6a,6a](C[6,6a]C[6a]C[6])2(N[6a,6a]C[6a]2)	C[6,6a](B[6,6a,6a]N[6a,6a]C[6,6a])(C[6a]C[6a]H)(C[6]C[6]O){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]B[6,6a,6a]C[6a])(C[6]C[6]CH)(O){1|N<3>,2|C<3>,3|H<1>}	B[6,6a,6a](C[6,6a]C[6a]C[6])2(N[6a,6a]C[6a]2){1|C<4>,1|O<1>,2|C<3>,6|H<1>}	117.6970	0.000	1	117.6970	0.000	1	117.6970	0.000	1	117.6970	0.000	1	117.6970	0.000	1	117.8463	0.031	3
643	762	927	6:SP2_SP2_SP2	C[6,6a]	C[6]	B[6,6a]	3:3:3:	3:3:1:	3:3:2:	B[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:N[6]-2:	C[6,6a](B[6,6a]C[6a,6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6,6a]B[6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H)	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6,6a])	C[6,6a](B[6,6a]C[6a,6a]N[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){7|C<3>}	C[6](C[6,6a]B[6,6a]C[6a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<2>,5|C<3>}	B[6,6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6]C[6,6a]){2|H<1>,6|C<3>}	117.8020	0.000	1	117.8020	0.000	1	117.8020	0.000	1	117.8020	0.000	1	117.9210	0.028	2	117.8463	0.031	3
643	762	927	6:SP2_SP2_SP2	C[6,6a]	C[6]	B[6,6a]	3:3:3:	3:3:3:	3:3:2:	B[6,6a]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6a]-3:N[6a]-2:	C[6,6a](B[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6a]C[6])	C[6](C[6,6a]B[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2)	B[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a])	C[6,6a](B[6,6a]C[6,6a]N[6a])(C[6a]C[6a,6a]H)(C[6]C[6a]C[6]){7|C<3>}	C[6](C[6,6a]B[6,6a]C[6a])(C[6]C[6,6a]C[6a])(C[6a]C[6a]2){1|N<2>,3|H<1>,7|C<3>}	B[6,6a](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6a]C[6])(N[6a]C[6a,6a]){2|H<1>,6|C<3>}	118.0400	0.000	1	118.0400	0.000	1	118.0400	0.000	1	118.0400	0.000	1	117.9210	0.028	2	117.8463	0.031	3
643	762	929	0:SP2_SP2_SP2	C[6,6a]	C[6]	S[6a]	3:2:3:	3:2:1:	3:3:	C[6,6a,6a]-3:S[6a]-2:C[6]-3:	C[6,6a]-3:C[6]-2:H-1:	C[6,6a]-3:C[6a,6a]-3:	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(S[6a]C[6a,6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a,6a]S[6a])(C[6]C[6,6a])(H)	S[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a])	C[6,6a](C[6,6a,6a]C[6,6a,6a]C[6a,6a])(S[6a]C[6a,6a])(C[6]C[6]H){5|C<3>}	C[6](C[6,6a]C[6,6a,6a]S[6a])(C[6]C[6,6a])(H){4|C<3>}	S[6a](C[6,6a]C[6,6a,6a]C[6])(C[6a,6a]C[6a,6a]C[6a]){1|C<2>,2|H<1>,4|C<3>}	114.3030	0.000	1	114.3030	0.000	1	114.3030	0.000	1	114.3030	0.000	1	110.2900	12.656	3	110.2900	12.656	3
643	762	929	0:SP2_SP2_SP2	C[6,6a]	C[6]	S[6a]	3:3:2:	3:3:1:	3:2:	C[6,6a]-3:C[6]-3:S[6a]-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:S[6a]-2:	C[6,6a](C[6,6a]S[6a]C[6])(C[6]C[6,6a]O)(S[6a]S[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]S[6a])(O)	S[6a](C[6,6a]C[6,6a]C[6])(S[6a]S[6a])	C[6,6a](C[6,6a]S[6a]C[6])(C[6]C[6,6a]O)(S[6a]S[6a]){1|O<1>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]S[6a])(O){1|H<1>,2|S<2>,3|C<3>}	S[6a](C[6,6a]C[6,6a]C[6])(S[6a]S[6a]){1|O<1>,1|S<2>,2|C<3>}	108.2835	1.076	2	108.2835	1.157	2	108.2835	1.157	2	108.2835	1.157	2	110.2900	12.656	3	110.2900	12.656	3
643	762	933	0:SP2_SP2_SP2	C[6,6a]	C[6]	O[6a]	3:2:3:	3:3:1:	3:3:	C[6,6a]-3:O[6a]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(H)	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(C[6]C[6]H){1|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(H){1|H<1>,3|C<3>}	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){2|H<1>,5|C<3>}	115.5535	0.356	2	115.9230	0.473	3	115.9073	0.320	8	115.3304	1.735	10	114.6232	5.014	15	114.3633	5.760	16
643	762	933	0:SP2_SP2_SP2	C[6,6a]	C[6]	O[6a]	3:2:3:	3:3:1:	3:3:	C[6,6a]-3:O[6a]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(H)	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(C[6]C[6]H){1|O<2>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(H){1|H<1>,3|C<3>}	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]2){1|H<1>,1|O<2>,5|C<3>}	116.6620	0.000	1	115.9230	0.473	3	115.9073	0.320	8	115.3304	1.735	10	114.6232	5.014	15	114.3633	5.760	16
643	762	933	0:SP2_SP2_SP2	C[6,6a]	C[6]	O[6a]	3:2:3:	3:3:1:	3:3:	C[6,6a]-3:O[6a]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(H)	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(C[6]C[6]H){2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(H){1|H<1>,3|C<3>}	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){2|H<1>,3|C<3>}	116.5100	0.031	2	116.5100	0.001	2	115.9073	0.320	8	115.3304	1.735	10	114.6232	5.014	15	114.3633	5.760	16
643	762	933	0:SP2_SP2_SP2	C[6,6a]	C[6]	O[6a]	3:2:3:	3:3:1:	3:3:	C[6,6a]-3:O[6a]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]O[6]C)(H)	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(C[6]C[6]H){1|C<3>,2|C<4>,3|O<2>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]O[6]C)(H){3|C<3>}	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){2|H<1>,3|C<3>}	115.4897	0.151	3	115.4897	0.023	3	115.9073	0.320	8	115.3304	1.735	10	114.6232	5.014	15	114.3633	5.760	16
643	762	933	0:SP2_SP2_SP2	C[6,6a]	C[6]	O[6a]	3:2:3:	3:3:1:	3:3:	C[6,6a]-3:O[6a]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]C)(H)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|C<4>,2|H<1>,4|C<3>}	113.0230	0.242	2	113.0230	0.058	2	113.0230	0.058	2	115.3304	1.735	10	114.6232	5.014	15	114.3633	5.760	16
643	762	933	0:SP2_SP2_SP2	C[6,6a]	C[6]	O[6a]	3:2:3:	3:3:3:	3:3:	C[6,6a]-3:O[6a]-2:C[6]-3:	C[6,6a]-3:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(CCN)	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a])(C[6]C[6]C){2|C<3>,2|H<1>,2|O<1>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(CCN){1|H<1>,3|C<3>}	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|H<1>,4|C<3>}	117.1720	0.000	1	117.1720	0.000	1	117.1720	0.000	1	117.1720	0.000	1	114.6232	5.014	15	114.3633	5.760	16
643	762	933	0:SP2_SP2_SP2	C[6,6a]	C[6]	O[6a]	3:2:3:	3:4:3:	3:3:	C[6,6a]-3:O[6a]-2:C[6]-3:	C[6,6a]-3:C[6]-4:C-3:	C[6a,6a]-3:C[6,6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(CCH)	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6])	C[6,6a](C[6,6a]C[6a]C[6])(O[6a]C[6a,6a])(C[6]C[6]C){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]HH)(CCH){1|C<4>,2|C<3>,2|H<1>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6,6a]C[6,6a]C[6]){1|H<1>,2|C<4>,4|C<3>}	115.7930	0.000	1	115.7930	0.000	1	115.7930	0.000	1	115.7930	0.000	1	114.6232	5.014	15	114.3633	5.760	16
643	762	933	0:SP2_SP2_SP2	C[6,6a]	C[6]	O[6a]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6]-3:O[6a]-2:	C[5a,6]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(O[6a]C[6a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]O[6a])(O)	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[5a,6]O)(O[6a]C[6a]){1|C<4>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]O[6a])(O){5|C<3>}	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]C){1|H<1>,1|O<1>,3|C<3>}	110.3790	0.000	1	110.3790	0.000	1	110.3790	0.000	1	111.0263	1.451	3	114.6232	5.014	15	114.3633	5.760	16
643	762	933	0:SP2_SP2_SP2	C[6,6a]	C[6]	O[6a]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6]-3:O[6a]-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(O[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6a])(O)	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O)	C[6,6a](C[6,6a]C[6a,6a]C[6])(C[6]C[6,6a]O)(O[6a]C[6a]){2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6a])(O){1|H<1>,5|C<3>}	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a,6a]O){1|O<1>,4|C<3>}	110.2840	0.000	1	110.2840	0.000	1	111.3500	2.273	2	111.0263	1.451	3	114.6232	5.014	15	114.3633	5.760	16
643	762	933	0:SP2_SP2_SP2	C[6,6a]	C[6]	O[6a]	3:3:2:	3:3:1:	3:3:	C[6,6a]-3:C[6]-3:O[6a]-2:	C[6,6a]-3:C[6,6a]-3:O-1:	C[6,6a]-3:C[6a]-3:	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(O[6a]C[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6a])(O)	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)	C[6,6a](C[6,6a]C[6a]C[6])(C[6]C[6,6a]O)(O[6a]C[6a]){1|C<4>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6a]C[6,6a]O[6a])(O){1|H<1>,5|C<3>}	O[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O){1|C<4>,1|O<1>,3|C<3>}	112.4160	0.000	1	112.4160	0.000	1	111.3500	2.273	2	111.0263	1.451	3	114.6232	5.014	15	114.3633	5.760	16
643	762	933	0:SP2_SP2_SP2	C[6a]	C[6]	O[6a]	3:2:3:	3:4:3:	3:3:	C[6a]-3:O[6a]-2:C[6]-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6a]-3:	C[6a](C[6a]C[5a,6a]I)(O[6a]C[6a])(C[6]C[6]2)	C[6](C[6a]C[6a]O[6a])(C[6]C[6]HH)(C[6]C[6]H)	O[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C[6])	C[6a](C[6a]C[5a,6a]I)(O[6a]C[6a])(C[6]C[6]2){1|C<3>,1|N<2>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]O[6a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|I<1>,2|C<3>,4|H<1>}	O[6a](C[6a]C[5a,6a]O)(C[6a]C[6a]C[6]){1|C<4>,1|I<1>,3|C<3>}	110.4650	0.000	1	110.4650	0.000	1	110.4650	0.000	1	110.4650	0.000	1	110.4650	0.000	1	114.3633	5.760	16
643	769	769	6:SP2_SP2_SP2	C[6a]	C[4,6a]	C[4,6a]	3:3:1:	3:3:3:	3:3:3:	C[4,6a]-3:C[4,6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)2(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])(C[4,6a]C[4,6a]2)(C[6a]C[4,6a]H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[4,6a]H)	C[6a](C[4,6a]C[4,6a]2)2(H){5|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])(C[4,6a]C[4,6a]2)(C[6a]C[4,6a]H){1|H<1>,5|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[4,6a]H){2|H<1>,4|C<3>}	111.8585	0.272	2	111.8585	0.074	2	111.7990	0.030	4	111.7990	0.030	4	111.8568	2.506	13	111.3374	4.027	15
643	769	769	6:SP2_SP2_SP2	C[6a]	C[4,6a]	C[4,6a]	3:3:1:	3:3:3:	3:3:3:	C[4,6a]-3:C[4,6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)2(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[4,6a]H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[4,6a]H)	C[6a](C[4,6a]C[4,6a]2)2(H){5|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[4,6a]H){2|H<1>,4|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[4,6a]H){2|H<1>,4|C<3>}	111.7395	0.040	2	111.7395	0.002	2	111.7990	0.030	4	111.7990	0.030	4	111.8568	2.506	13	111.3374	4.027	15
643	769	769	6:SP2_SP2_SP2	C[6a]	C[4,6a]	C[4,6a]	3:3:1:	3:3:4:	3:3:4:	C[4,6a]-3:C[4,6a]-3:Br-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])2(Br)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[4,6a]Br)(C[4]C[4]HH)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[4,6a]Br)(C[4]C[4]HO)	C[6a](C[4,6a]C[4,6a]C[4])2(Br){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[4,6a]Br)(C[4]C[4]HH){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[4,6a]Br)(C[4]C[4]HO){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	113.9048	0.366	4	113.9048	0.134	4	113.9048	0.134	4	113.9048	0.134	4	111.8568	2.506	13	111.3374	4.027	15
643	769	769	6:SP2_SP2_SP2	C[6a]	C[4,6a]	C[4,6a]	3:3:4:	3:3:4:	3:3:4:	C[4,6a]-3:C[4,6a]-3:C-4:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])2(CH3)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[4,6a]C)(C[4]C[4]CO)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[4,6a]C)(C[4]C[4]HH)	C[6a](C[4,6a]C[4,6a]C[4])2(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[4,6a]C)(C[4]C[4]CO){1|C<3>,2|C<4>,2|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[4,6a]C)(C[4]C[4]HH){1|C<3>,1|O<2>,3|C<4>}	110.2703	0.176	3	110.2703	0.031	3	110.2703	0.031	3	110.2703	0.031	3	111.8568	2.506	13	111.3374	4.027	15
643	769	769	6:SP2_SP2_SP2	C[6a]	C[4,6a]	C[4,6a]	3:3:4:	3:4:3:	3:3:4:	C[4,6a]-3:C[4,6a]-3:C-4:	C[4,6a]-3:C[4]-4:C[6a]-3:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a](C[4,6a]C[4,6a]C[4])2(CH3)	C[4,6a](C[4,6a]C[6a]C[4])(C[4]C[6a]C[4]O)(C[6a]C[4,6a]C)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[4,6a]C)(C[4]C[4]HH)	C[6a](C[4,6a]C[4,6a]C[4])2(CH3){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[4]C[6a]C[4]O)(C[6a]C[4,6a]C){2|C<4>,2|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[4,6a]C)(C[4]C[4]HH){1|O<2>,2|C<3>,2|C<4>}	110.2565	0.243	2	110.2565	0.059	2	110.2565	0.059	2	110.2565	0.059	2	111.8568	2.506	13	111.3374	4.027	15
643	769	769	6:SP2_SP2_SP2	C[6a]	C[4a,6a]	C[4a,6a]	3:3:3:	3:3:3:	3:3:3:	C[4a,6a]-3:C[4a,6a]-3:C-3:	C[4a,6a]-3:C[6a]-3:C[4a]-3:	C[4a,6a]-3:C[6a]-3:C[4a]-3:	C[6a](C[4a,6a]C[4a,6a]C[4a])2(CC[6a]2)	C[4a,6a](C[4a,6a]C[4a]C[6a])(C[6a]C[4a,6a]C)(C[4a]C[4a]C)	C[4a,6a](C[4a,6a]C[4a]C[6a])(C[6a]C[4a,6a]C)(C[4a]C[4a]C)	C[6a](C[4a,6a]C[4a,6a]C[4a])2(CC[6a]2){1|C<2>,4|C<3>}	C[4a,6a](C[4a,6a]C[4a]C[6a])(C[6a]C[4a,6a]C)(C[4a]C[4a]C){1|C<2>,3|C<3>}	C[4a,6a](C[4a,6a]C[4a]C[6a])(C[6a]C[4a,6a]C)(C[4a]C[4a]C){4|C<3>}	107.9610	0.038	2	107.9610	0.001	2	107.9610	0.001	2	107.9610	0.001	2	107.9610	0.001	2	111.3374	4.027	15
643	769	830	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	F	3:3:1:	3:3:4:	3:	C[4,6a]-3:C[6a]-3:F-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]F)(F)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]F)(C[4]C[4]FF)	F(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]F)(F){1|C<3>,1|C<4>,3|F<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]F)(C[4]C[4]FF){1|C<3>,4|F<1>}	F(C[6a]C[4,6a]C[6a])	123.3040	0.000	1	123.3040	0.000	1	123.3040	0.000	1	123.3040	0.000	1	123.3040	0.000	1	123.3040	0.000	1
643	769	880	0:SP2_SP2_SP3	C[6a]	C[4,6a]	Si	3:3:4:	3:4:3:	3:4:4:4:	C[4,6a]-3:C[6a]-3:Si-4:	C[4,6a]-3:Si[4]-4:C[6a]-3:	C[6a]-3:Si-4:C-4:C-4:	C[6a](C[4,6a]C[4,6a]Si[4])(C[6a]C[6a]H)(SiSiCC)	C[4,6a](C[4,6a]C[6a]Si[4])(Si[4]Si[4]CC)(C[6a]C[6a]Si)	Si(C[6a]C[4,6a]C[6a])(SiC[6a]CC)(CH3)2	C[6a](C[4,6a]C[4,6a]Si[4])(C[6a]C[6a]H)(SiSiCC){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	C[4,6a](C[4,6a]C[6a]Si[4])(Si[4]Si[4]CC)(C[6a]C[6a]Si){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	Si(C[6a]C[4,6a]C[6a])(SiC[6a]CC)(CH3)2	127.1400	0.143	2	127.1400	0.020	2	127.1400	0.020	2	127.1400	0.020	2	127.1400	0.020	2	127.1400	0.020	2
643	769	893	0:SP2_SP2_SP2	C[6a]	C[4,6a]	O	3:3:2:	3:3:3:	3:4:	C[6a,6a]-3:C[4,6a]-3:O-2:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:Si-4:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)(OSi)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]C[4,6a])(SiC3)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)(OSi){1|H<1>,5|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a,6a]O){2|O<2>,4|C<3>}	O(C[6a]C[6a,6a]C[4,6a])(SiC3)	124.5965	0.057	2	124.5965	0.003	2	124.5965	0.003	2	124.5965	0.003	2	123.6256	2.279	5	123.6256	2.279	5
643	769	893	0:SP2_SP2_SP2	C[6a]	C[4,6a]	O	3:3:2:	3:3:4:	3:3:	C[4,6a]-3:C[6a]-3:O-2:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(OC)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]O)(C[4]C[4]CC)	O(C[6a]C[4,6a]C[6a])(CC[5,5,6]O)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(OC){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]O)(C[4]C[4]CC){1|C<3>,1|C<4>,3|H<1>}	O(C[6a]C[4,6a]C[6a])(CC[5,5,6]O)	121.0110	0.000	1	121.0110	0.000	1	122.3435	3.551	2	122.3435	3.551	2	123.6256	2.279	5	123.6256	2.279	5
643	769	893	0:SP2_SP2_SP2	C[6a]	C[4,6a]	O	3:3:2:	3:3:4:	3:3:	C[4,6a]-3:C[6a]-3:O-2:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(OC)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]O)(C[4]C[4]CH)	O(C[6a]C[4,6a]C[6a])(CC[5,5,6]O)	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(OC){1|C<3>,2|C<4>,2|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]O)(C[4]C[4]CH){1|C<3>,1|C<4>,3|H<1>}	O(C[6a]C[4,6a]C[6a])(CC[5,5,6]O)	123.6760	0.000	1	123.6760	0.000	1	122.3435	3.551	2	122.3435	3.551	2	123.6256	2.279	5	123.6256	2.279	5
643	769	893	0:SP2_SP2_SP2	C[6a]	C[4,6a]	O	3:3:2:	3:4:3:	3:4:	C[4,6a]-3:C[6a]-3:O-2:	C[4,6a]-3:C[4,5]-4:C[6a]-3:	C[6a]-3:C-4:	C[6a](C[4,6a]C[4,6a]C[4,5])(C[6a]C[5a,6a]C)(OC)	C[4,6a](C[4,6a]C[5a,6a]C[4,5])(C[4,5]C[4,5]O[5]H)(C[6a]C[6a]O)	O(C[6a]C[4,6a]C[6a])(CH3)	C[6a](C[4,6a]C[4,6a]C[4,5])(C[6a]C[5a,6a]C)(OC){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[4,6a](C[4,6a]C[5a,6a]C[4,5])(C[4,5]C[4,5]O[5]H)(C[6a]C[6a]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	O(C[6a]C[4,6a]C[6a])(CH3)	124.2480	0.000	1	124.2480	0.000	1	124.2480	0.000	1	124.2480	0.000	1	123.6256	2.279	5	123.6256	2.279	5
643	769	924	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	Br	3:3:1:	3:3:3:	3:	C[4,6a]-3:C[6a]-3:Br-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(Br)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]Br)	Br(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(Br){1|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]Br){1|P<3>,2|H<1>,3|C<3>}	Br(C[6a]C[4,6a]C[6a])	122.7770	0.000	1	122.7770	0.000	1	122.7770	0.000	1	122.7770	0.000	1	122.9999	0.617	9	122.9999	0.617	9
643	769	924	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	Br	3:3:1:	3:3:4:	3:	C[4,6a]-3:C[4,6a]-3:Br-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])2(Br)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[4,6a]Br)(C[4]C[4]HH)	Br(C[6a]C[4,6a]2)	C[6a](C[4,6a]C[4,6a]C[4])2(Br){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[4,6a]Br)(C[4]C[4]HH){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	Br(C[6a]C[4,6a]2)	122.3077	0.202	4	122.3077	0.041	4	123.0277	0.698	8	123.0277	0.698	8	122.9999	0.617	9	122.9999	0.617	9
643	769	924	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	Br	3:3:1:	3:3:4:	3:	C[4,6a]-3:C[4,6a]-3:Br-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])2(Br)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[4,6a]Br)(C[4]C[4]HO)	Br(C[6a]C[4,6a]2)	C[6a](C[4,6a]C[4,6a]C[4])2(Br){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[4,6a]Br)(C[4]C[4]HO){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	Br(C[6a]C[4,6a]2)	123.7477	0.453	4	123.7477	0.205	4	123.0277	0.698	8	123.0277	0.698	8	122.9999	0.617	9	122.9999	0.617	9
643	769	930	0:SP2_SP2_SP2	C[6a]	C[4,6a]	C	3:3:3:	3:3:2:	3:2:1:	C[4,6a]-3:C[6a]-3:C-3:	N[4,6a]-3:C[6a]-3:S[4]-2:	C[6a]-3:O-2:O-1:	C[6a](C[4,6a]N[4,6a]S[4])(C[6a]C[6a,6a]O)(COO)	C[4,6a](N[4,6a]C[6a,6a]C[4])(C[6a]C[6a]C)(S[4]C[4])	C(C[6a]C[4,6a]C[6a])(OH)(O)	C[6a](C[4,6a]N[4,6a]S[4])(C[6a]C[6a,6a]O)(COO){1|C<4>,2|C<3>}	C[4,6a](N[4,6a]C[6a,6a]C[4])(C[6a]C[6a]C)(S[4]C[4]){1|H<1>,1|O<1>,3|C<3>}	C(C[6a]C[4,6a]C[6a])(OH)(O)	120.9110	0.000	1	120.9110	0.000	1	120.9110	0.000	1	120.9110	0.000	1	123.0536	3.138	7	124.0710	5.888	11
643	769	930	0:SP2_SP2_SP2	C[6a]	C[4,6a]	C	3:3:3:	3:3:3:	3:2:2:	C[4,6a]-3:C[6a]-3:C-3:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:N-2:N-2:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(CNN)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]C)	C(C[6a]C[4,6a]C[6a])(NH)2	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(CNN){1|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]C){2|H<1>,4|C<3>}	C(C[6a]C[4,6a]C[6a])(NH)2	125.6550	0.000	1	125.6550	0.000	1	125.6550	0.000	1	125.6550	0.000	1	123.0536	3.138	7	124.0710	5.888	11
643	769	930	0:SP2_SP2_SP2	C[6a]	C[4,6a]	C	3:3:3:	3:3:3:	3:3:2:	C[4,6a]-3:C[6a]-3:C-3:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:N-3:N-2:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(CNN)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]C)	C(C[6a]C[4,6a]C[6a])(NHH)(NH)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(CNN){1|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]C){2|H<1>,4|C<3>}	C(C[6a]C[4,6a]C[6a])(NHH)(NH)	123.1150	1.072	2	123.1150	1.149	2	123.1150	1.149	2	123.1150	1.149	2	123.0536	3.138	7	124.0710	5.888	11
643	769	930	0:SP2_SP2_SP2	C[6a]	C[4,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[4,6a]-3:C[6a]-3:C-3:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:C[5a]-3:C[5a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(CC[5a]2)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]C)	C(C[6a]C[4,6a]C[6a])(C[5a]C[5a]N[5a])2	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(CC[5a]2){1|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]C){2|H<1>,4|C<3>}	C(C[6a]C[4,6a]C[6a])(C[5a]C[5a]N[5a])2	123.4195	2.078	2	123.4195	4.319	2	123.4195	4.319	2	123.4195	4.319	2	123.0536	3.138	7	124.0710	5.888	11
643	769	930	0:SP2_SP2_SP2	C[6a]	C[4,6a]	C	3:3:3:	3:4:3:	3:1:1:	C[4,6a]-3:C[6a]-3:C-3:	C[4,6a]-3:C[4,6]-4:C[6a]-3:	C[6a]-3:H-1:O-1:	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(CHO)	C[4,6a](C[4,6a]C[4,6]C[6a])(C[4,6]C[4,6]2O)(C[6a]C[6a]C)	C(C[6a]C[4,6a]C[6a])(H)(O)	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(CHO){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[4,6a](C[4,6a]C[4,6]C[6a])(C[4,6]C[4,6]2O)(C[6a]C[6a]C){2|C<3>,2|C<4>,4|H<1>}	C(C[6a]C[4,6a]C[6a])(H)(O)	121.7400	0.000	1	121.7400	0.000	1	121.7400	0.000	1	121.7400	0.000	1	123.0536	3.138	7	124.0710	5.888	11
643	769	930	0:SP2_SP2_SP2	C[6a]	C[4a,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[4a,6a]-3:C[4a,6a]-3:C-3:	C[4a,6a]-3:C[6a]-3:C[4a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[4a,6a]C[4a,6a]C[4a])2(CC[6a]2)	C[4a,6a](C[4a,6a]C[4a]C[6a])(C[6a]C[4a,6a]C)(C[4a]C[4a]C)	C(C[6a]C[4a,6a]2)(C[6a]C[6a]2)2	C[6a](C[4a,6a]C[4a,6a]C[4a])2(CC[6a]2){1|C<2>,4|C<3>}	C[4a,6a](C[4a,6a]C[4a]C[6a])(C[6a]C[4a,6a]C)(C[4a]C[4a]C){1|C<2>,3|C<3>}	C(C[6a]C[4a,6a]2)(C[6a]C[6a]2)2	123.6100	0.092	2	125.8515	6.710	4	125.8515	6.710	4	125.8515	6.710	4	125.8515	6.710	4	124.0710	5.888	11
643	769	930	0:SP2_SP2_SP2	C[6a]	C[4a,6a]	C	3:3:3:	3:3:3:	3:3:3:	C[4a,6a]-3:C[4a,6a]-3:C-3:	C[4a,6a]-3:C[6a]-3:C[4a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[4a,6a]C[4a,6a]C[4a])2(CC[6a]2)	C[4a,6a](C[4a,6a]C[4a]C[6a])(C[6a]C[4a,6a]C)(C[4a]C[4a]C)	C(C[6a]C[4a,6a]2)(C[6a]C[6a]2)2	C[6a](C[4a,6a]C[4a,6a]C[4a])2(CC[6a]2){1|C<2>,4|C<3>}	C[4a,6a](C[4a,6a]C[4a]C[6a])(C[6a]C[4a,6a]C)(C[4a]C[4a]C){4|C<3>}	C(C[6a]C[4a,6a]2)(C[6a]C[6a]2)2	128.0930	0.160	2	125.8515	6.710	4	125.8515	6.710	4	125.8515	6.710	4	125.8515	6.710	4	124.0710	5.888	11
643	769	941	0:SP2_SP2_SP2	C[6a]	C[4,6a]	N	3:3:2:	3:3:3:	3:3:	C[4,6a]-3:C[6a]-3:N-2:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:C-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(NC)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]N)	N(C[6a]C[4,6a]C[6a])(CC[6a]2)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(NC){1|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]N){1|N<2>,2|H<1>,3|C<3>}	N(C[6a]C[4,6a]C[6a])(CC[6a]2)	123.9145	0.757	2	123.9145	0.574	2	123.9145	0.574	2	123.9145	0.574	2	123.9145	0.574	2	123.9145	0.574	2
643	769	945	0:SP2_SP2_SP3	C[6a]	C[4,6a]	P	3:3:3:	3:3:3:	3:3:3:	C[4,6a]-3:C[6a]-3:P-3:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(PC[6a]2)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]P)	P(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(PC[6a]2){1|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]P){1|B<4>,2|H<1>,3|C<3>}	P(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2	122.9100	0.000	1	122.5970	0.196	2	122.5970	0.196	2	122.5970	0.196	2	122.5970	0.196	2	122.5970	0.196	2
643	769	945	0:SP2_SP2_SP3	C[6a]	C[4,6a]	P	3:3:3:	3:3:3:	3:3:3:	C[4,6a]-3:C[6a]-3:P-3:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(PC[6a]2)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]P)	P(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(PC[6a]2){1|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]P){1|Br<1>,2|H<1>,3|C<3>}	P(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2	122.2840	0.000	1	122.5970	0.196	2	122.5970	0.196	2	122.5970	0.196	2	122.5970	0.196	2	122.5970	0.196	2
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:3:	3:	C[4,6a]-3:C[4,6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)2(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])(C[4,6a]C[4,6a]2)(C[6a]C[4,6a]H)	H(C[6a]C[4,6a]2)	C[6a](C[4,6a]C[4,6a]2)2(H){5|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])(C[4,6a]C[4,6a]2)(C[6a]C[4,6a]H){1|H<1>,5|C<3>}	H(C[6a]C[4,6a]2)	123.9960	0.279	2	123.9960	0.078	2	124.0369	0.087	7	122.2229	1.348	95	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:3:	3:	C[4,6a]-3:C[4,6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)2(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[4,6a]H)	H(C[6a]C[4,6a]2)	C[6a](C[4,6a]C[4,6a]2)2(H){5|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[4,6a]H){2|H<1>,4|C<3>}	H(C[6a]C[4,6a]2)	124.0532	0.332	5	124.0532	0.110	5	124.0369	0.087	7	122.2229	1.348	95	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a,6a]-3:P[4]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a,6a]P[4])(C[6a]C[5,6a]H)(H)	C[4,6a](C[4,6a,6a]C[5,6a,6a]C[4,6a])(P[4]C[4,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a,6a]P[4])(C[6a]C[5,6a]H)(H){1|C<4>,3|C<3>}	C[4,6a](C[4,6a,6a]C[5,6a,6a]C[4,6a])(P[4]C[4,6a]C[6a])(C[6a]C[6a]H){1|H<1>,5|C<3>}	H(C[6a]C[4,6a]C[6a])	119.6955	0.049	4	119.6955	0.002	4	119.6955	0.002	4	122.2229	1.348	95	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[4,6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])(C[4,6a]C[4,6a]2)(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[4,6a]H)(H){4|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])(C[4,6a]C[4,6a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[4,6a]C[6a])	121.1255	0.191	4	121.1255	0.037	4	122.3266	0.939	72	122.2229	1.348	95	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[4a,6a]H)(H)	C[4,6a](C[4,6a]C[4a,6a]C[4,6a])(C[4,6a]C[4,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[4a,6a]H)(H){4|C<3>}	C[4,6a](C[4,6a]C[4a,6a]C[4,6a])(C[4,6a]C[4,6a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[4,6a]C[6a])	120.8630	0.000	1	120.8630	0.000	1	122.3266	0.939	72	122.2229	1.348	95	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a,6a]H)(H)	C[4,6a](C[4,6a]C[6a,6a]C[4,6a])(C[4,6a]C[4,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a,6a]H)(H){4|C<3>}	C[4,6a](C[4,6a]C[6a,6a]C[4,6a])(C[4,6a]C[4,6a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[4,6a]C[6a])	122.1450	0.000	1	122.1450	0.000	1	122.3266	0.939	72	122.2229	1.348	95	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])(C[4,6a]C[4,6a]2)(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])(C[4,6a]C[4,6a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[4,6a]C[6a])	121.8185	0.363	2	121.8185	0.132	2	122.3266	0.939	72	122.2229	1.348	95	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H){1|C<4>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	H(C[6a]C[4,6a]C[6a])	121.9670	0.000	1	122.5661	0.781	58	122.3266	0.939	72	122.2229	1.348	95	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H){1|B<4>,2|H<1>,3|C<3>}	H(C[6a]C[4,6a]C[6a])	122.6580	0.219	7	122.5661	0.781	58	122.3266	0.939	72	122.2229	1.348	95	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H){1|B<5>,2|H<1>,3|C<3>}	H(C[6a]C[4,6a]C[6a])	122.5360	0.063	3	122.5661	0.781	58	122.3266	0.939	72	122.2229	1.348	95	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	H(C[6a]C[4,6a]C[6a])	122.0460	0.000	1	122.5661	0.781	58	122.3266	0.939	72	122.2229	1.348	95	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H){1|C<2>,2|H<1>,3|C<3>}	H(C[6a]C[4,6a]C[6a])	122.5000	0.000	1	122.5661	0.781	58	122.3266	0.939	72	122.2229	1.348	95	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H){1|Ga<4>,2|H<1>,3|C<3>}	H(C[6a]C[4,6a]C[6a])	122.1210	0.214	3	122.5661	0.781	58	122.3266	0.939	72	122.2229	1.348	95	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	H(C[6a]C[4,6a]C[6a])	122.1850	0.028	2	122.5661	0.781	58	122.3266	0.939	72	122.2229	1.348	95	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H){1|P<3>,2|H<1>,3|C<3>}	H(C[6a]C[4,6a]C[6a])	122.0310	0.099	2	122.5661	0.781	58	122.3266	0.939	72	122.2229	1.348	95	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H){1|P<4>,2|H<1>,3|C<3>}	H(C[6a]C[4,6a]C[6a])	121.8769	0.218	8	122.5661	0.781	58	122.3266	0.939	72	122.2229	1.348	95	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H){1|Sb<3>,2|H<1>,3|C<3>}	H(C[6a]C[4,6a]C[6a])	122.3695	0.062	2	122.5661	0.781	58	122.3266	0.939	72	122.2229	1.348	95	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[4,6a]C[6a])	122.2000	0.280	11	122.5661	0.781	58	122.3266	0.939	72	122.2229	1.348	95	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[4,6a]C[6a])	123.3741	1.234	17	122.5661	0.781	58	122.3266	0.939	72	122.2229	1.348	95	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4a,6a]C[4,6a])(C[4,6a]C[4,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[4a,6a]C[4,6a])(C[4,6a]C[4,6a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[4,6a]C[6a])	122.3450	0.000	1	122.3450	0.000	1	122.3266	0.939	72	122.2229	1.348	95	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a,6a]C[4,6a])(C[4,6a]C[4,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[6a,6a]C[4,6a])(C[4,6a]C[4,6a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[4,6a]C[6a])	122.1080	0.000	1	122.1080	0.000	1	122.3266	0.939	72	122.2229	1.348	95	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]Si)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]Si)(H){1|Si<4>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]H){1|Si<4>,2|H<1>,3|C<3>}	H(C[6a]C[4,6a]C[6a])	120.7692	0.363	4	120.7692	0.131	4	122.3266	0.939	72	122.2229	1.348	95	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(H)	C[4,6a](C[4,6a]C[6a]P[4])(C[6a]C[6a]H)(C[4]P[4]C)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(H){1|H<1>,1|P<3>,2|C<3>}	C[4,6a](C[4,6a]C[6a]P[4])(C[6a]C[6a]H)(C[4]P[4]C){2|C<3>,2|C<4>}	H(C[6a]C[4,6a]C[6a])	121.0885	0.112	2	121.0056	0.055	5	121.1949	0.176	7	122.2229	1.348	95	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(H)	C[4,6a](C[4,6a]C[6a]P[4])(C[6a]C[6a]H)(C[4]P[4]C)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(H){1|H<1>,1|P<4>,2|C<3>}	C[4,6a](C[4,6a]C[6a]P[4])(C[6a]C[6a]H)(C[4]P[4]C){1|C<3>,1|H<1>,1|W<6>,2|C<4>}	H(C[6a]C[4,6a]C[6a])	120.7755	0.023	2	121.0056	0.055	5	121.1949	0.176	7	122.2229	1.348	95	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(H)	C[4,6a](C[4,6a]C[6a]P[4])(C[6a]C[6a]H)(C[4]P[4]C)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(H){1|H<1>,1|P<4>,2|C<3>}	C[4,6a](C[4,6a]C[6a]P[4])(C[6a]C[6a]H)(C[4]P[4]C){1|Ru<9>,2|C<3>,2|C<4>}	H(C[6a]C[4,6a]C[6a])	121.3000	0.000	1	121.0056	0.055	5	121.1949	0.176	7	122.2229	1.348	95	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]2)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]2){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[4,6a]C[6a])	121.3440	0.000	1	121.3440	0.000	1	121.1949	0.176	7	122.2229	1.348	95	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]O)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]O){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[4,6a]C[6a])	121.9920	0.000	1	121.9920	0.000	1	121.1949	0.176	7	122.2229	1.348	95	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[4,6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]B[6a])(C[4,6a]C[4,6a]2)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[4,6a])	C[6a](C[6a,6a]C[6a,6a]B[6a])(C[4,6a]C[4,6a]2)(H){1|B<3>,1|O<2>,4|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a,6a]H){1|B<3>,2|H<1>,3|C<3>}	H(C[6a]C[6a,6a]C[4,6a])	121.7290	0.000	1	121.7290	0.000	1	121.6512	0.020	5	122.2229	1.348	95	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[4,6a]-3:H-1:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)(H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[4,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)(H){1|C<2>,5|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	H(C[6a]C[6a,6a]C[4,6a])	121.6317	0.154	4	121.6317	0.024	4	121.6512	0.020	5	122.2229	1.348	95	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:4:	3:	C[4,6a]-3:C[5,6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[5,6a]C[5,6a]2)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[5,6a]H)(C[4]C[4]HH)	H(C[6a]C[4,6a]C[5,6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[5,6a]C[5,6a]2)(H){2|C<4>,2|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[5,6a]H)(C[4]C[4]HH){2|H<1>,3|C<3>}	H(C[6a]C[4,6a]C[5,6a])	122.3460	0.000	1	122.3460	0.000	1	122.3460	0.000	1	122.0739	1.080	48	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:4:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[4,6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[4,6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4,6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	H(C[6a]C[4,6a]C[6a])	121.1810	0.000	1	121.1810	0.000	1	122.0201	1.139	44	122.0739	1.080	48	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:4:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a,6a]O)(H)	C[4,6a](C[4,6a]C[6a,6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a,6a]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[4,6a](C[4,6a]C[6a,6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH){1|C<4>,1|O<2>,3|C<3>}	H(C[6a]C[4,6a]C[6a])	121.9260	0.000	1	121.9260	0.000	1	122.0201	1.139	44	122.0739	1.080	48	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:4:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]2)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]2)(H){1|C<4>,3|C<3>,3|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH){2|C<3>,3|H<1>}	H(C[6a]C[4,6a]C[6a])	121.3250	0.081	2	121.3250	0.006	2	122.0201	1.139	44	122.0739	1.080	48	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:4:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CC)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,3|C<4>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	H(C[6a]C[4,6a]C[6a])	120.7130	0.000	1	121.3874	0.195	5	122.0201	1.139	44	122.0739	1.080	48	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:4:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CC)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,3|C<4>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CC){1|O<2>,2|C<3>,2|C<4>}	H(C[6a]C[4,6a]C[6a])	121.5560	0.267	4	121.3874	0.195	5	122.0201	1.139	44	122.0739	1.080	48	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:4:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]2O)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]2O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	H(C[6a]C[4,6a]C[6a])	122.2540	0.020	2	122.2540	0.000	2	122.0201	1.139	44	122.0739	1.080	48	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:4:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CH)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CH){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[4,6a]C[6a])	122.0570	0.000	1	122.3623	0.074	3	122.0201	1.139	44	122.0739	1.080	48	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:4:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CH)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CH){2|C<3>,3|H<1>}	H(C[6a]C[4,6a]C[6a])	122.4490	0.000	1	122.3623	0.074	3	122.0201	1.139	44	122.0739	1.080	48	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:4:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CH)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CH){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]C[4,6a]C[6a])	122.5810	0.000	1	122.3623	0.074	3	122.0201	1.139	44	122.0739	1.080	48	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:4:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CO)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CO){1|C<3>,4|H<1>}	H(C[6a]C[4,6a]C[6a])	121.8626	1.143	5	121.6895	1.225	6	122.0201	1.139	44	122.0739	1.080	48	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:4:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CO)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|O<2>,3|C<4>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CO){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[4,6a]C[6a])	120.8240	0.000	1	121.6895	1.225	6	122.0201	1.139	44	122.0739	1.080	48	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:4:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH){1|C<3>,4|H<1>}	H(C[6a]C[4,6a]C[6a])	121.4240	0.000	1	122.4461	2.834	13	122.0201	1.139	44	122.0739	1.080	48	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:4:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,3|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[4,6a]C[6a])	122.9784	2.181	7	122.4461	2.834	13	122.0201	1.139	44	122.0739	1.080	48	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:4:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(C[6a]C[4,6a]C[6a])	122.0580	0.000	1	122.4461	2.834	13	122.0201	1.139	44	122.0739	1.080	48	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:4:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[4,6a]C[6a])	121.3560	0.000	1	122.4461	2.834	13	122.0201	1.139	44	122.0739	1.080	48	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:4:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH){1|C<3>,4|H<1>}	H(C[6a]C[4,6a]C[6a])	121.7220	0.062	2	122.4461	2.834	13	122.0201	1.139	44	122.0739	1.080	48	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:4:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){2|C<3>,3|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH){2|C<3>,2|H<1>}	H(C[6a]C[4,6a]C[6a])	122.6680	0.000	1	122.4461	2.834	13	122.0201	1.139	44	122.0739	1.080	48	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:4:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]N[5])(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]N[5])(H){1|C<4>,3|C<3>,3|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH){1|C<3>,1|N<3>,3|H<1>}	H(C[6a]C[4,6a]C[6a])	122.5860	0.000	1	122.5860	0.000	1	122.0201	1.139	44	122.0739	1.080	48	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:4:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]O)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CC)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]O)(H){1|C<4>,1|O<2>,3|C<3>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CC){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[4,6a]C[6a])	122.2480	0.000	1	122.2280	0.001	2	122.0201	1.139	44	122.0739	1.080	48	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:4:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]O)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CC)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CC){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	H(C[6a]C[4,6a]C[6a])	122.2080	0.000	1	122.2280	0.001	2	122.0201	1.139	44	122.0739	1.080	48	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:4:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]O)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CH)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]O)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]CH){1|C<3>,1|O<2>,3|H<1>}	H(C[6a]C[4,6a]C[6a])	121.9863	0.053	3	121.9863	0.003	3	122.0201	1.139	44	122.0739	1.080	48	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:4:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]O)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6a]C[4,6a]C[6a])	121.8278	0.171	4	121.9320	0.076	5	122.0201	1.139	44	122.0739	1.080	48	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:4:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]O)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]H)(C[4]C[4]HH){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]C[4,6a]C[6a])	122.3490	0.000	1	121.9320	0.076	5	122.0201	1.139	44	122.0739	1.080	48	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:4:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:N[4]-4:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]N[4])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]B[4])(C[6a]C[6a]H)(N[4]B[4]CC)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]N[4])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,2|C<4>}	C[4,6a](C[4,6a]C[6a]B[4])(C[6a]C[6a]H)(N[4]B[4]CC){2|Cl<1>,1|C<3>,2|H<1>}	H(C[6a]C[4,6a]C[6a])	123.0160	0.000	1	122.7713	0.049	3	122.7713	0.049	3	122.0739	1.080	48	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:3:4:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[6a]-3:N[4]-4:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]N[4])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]B[4])(C[6a]C[6a]H)(N[4]B[4]CC)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]N[4])(C[6a]C[6a]H)(H){1|B<4>,1|C<3>,1|H<1>,2|C<4>}	C[4,6a](C[4,6a]C[6a]B[4])(C[6a]C[6a]H)(N[4]B[4]CC){2|H<1>,3|C<3>}	H(C[6a]C[4,6a]C[6a])	122.6490	0.086	2	122.7713	0.049	3	122.7713	0.049	3	122.0739	1.080	48	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:4:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a,6a]-3:B[4]-4:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a,6a]B[4])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a,6a]C[6a,6a]C[4,6a])(B[4]C[4,6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a,6a]B[4])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[4,6a](C[4,6a,6a]C[6a,6a]C[4,6a])(B[4]C[4,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	H(C[6a]C[4,6a]C[6a])	120.6615	0.070	2	120.6615	0.005	2	120.6615	0.005	2	121.4380	2.050	57	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:4:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a,6a]-3:P[4]-4:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a,6a]P[4])(C[6a]C[5,6a]H)(H)	C[4,6a](C[4,6a,6a]C[5,6a,6a]C[4,6a])(P[4]C[4,6a]BC)(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a,6a]P[4])(C[6a]C[5,6a]H)(H){1|B<4>,2|C<3>,2|C<4>}	C[4,6a](C[4,6a,6a]C[5,6a,6a]C[4,6a])(P[4]C[4,6a]BC)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[4,6a]C[6a])	120.0460	0.095	4	120.0460	0.009	4	120.0768	2.883	10	121.4380	2.050	57	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:4:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a,6a]-3:P[4]-4:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a,6a]P[4])(C[6a]C[5,6a]H)(H)	C[4,6a](C[4,6a,6a]C[5,6a,6a]C[4,6a])(P[4]C[4,6a]C[6a]C)(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a,6a]P[4])(C[6a]C[5,6a]H)(H){2|C<4>,3|C<3>}	C[4,6a](C[4,6a,6a]C[5,6a,6a]C[4,6a])(P[4]C[4,6a]C[6a]C)(C[6a]C[6a]H){1|H<1>,5|C<3>}	H(C[6a]C[4,6a]C[6a])	120.1095	0.558	4	120.1095	0.312	4	120.0768	2.883	10	121.4380	2.050	57	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:4:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a,6a]-3:P[4]-4:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a,6a]P[4])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a,6a]C[6a,6a]C[4,6a])(P[4]C[4,6a]NO)(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a,6a]P[4])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[4,6a](C[4,6a,6a]C[6a,6a]C[4,6a])(P[4]C[4,6a]NO)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]C[4,6a]C[6a])	120.0730	4.998	2	120.0730	24.978	2	120.0768	2.883	10	121.4380	2.050	57	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:4:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a,6a]-3:Si[4]-4:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a,6a]Si[4])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a,6a]C[6a,6a]C[4,6a])(Si[4]C[4,6a]C[6a]2)(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a,6a]Si[4])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	C[4,6a](C[4,6a,6a]C[6a,6a]C[4,6a])(Si[4]C[4,6a]C[6a]2)(C[6a]C[6a]H){1|H<1>,7|C<3>}	H(C[6a]C[4,6a]C[6a])	120.7200	0.269	2	120.7200	0.072	2	120.7200	0.072	2	121.4380	2.050	57	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:4:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:B[4]-4:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]B[4])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]N[4])(B[4]C[6a]2N[4])(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]B[4])(C[6a]C[6a]H)(H){1|H<1>,1|N<4>,3|C<3>}	C[4,6a](C[4,6a]C[6a]N[4])(B[4]C[6a]2N[4])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[4,6a]C[6a])	121.0390	0.106	2	121.0390	0.011	2	121.1467	0.040	3	121.4380	2.050	57	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:4:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:B[4]-4:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]B[4])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]N[4])(B[4]N[4]Cl2)(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]B[4])(C[6a]C[6a]H)(H){2|Cl<1>,1|C<3>,1|H<1>,1|N<4>}	C[4,6a](C[4,6a]C[6a]N[4])(B[4]N[4]Cl2)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]C[4,6a]C[6a])	121.3620	0.000	1	121.3620	0.000	1	121.1467	0.040	3	121.4380	2.050	57	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:4:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,4]-4:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4,4])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,4]C[6a])(C[4,4]C[4,4]C[4]H)(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4,4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[4,6a](C[4,6a]C[4,4]C[6a])(C[4,4]C[4,4]C[4]H)(C[6a]C[6a]H){1|Zr<14>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	H(C[6a]C[4,6a]C[6a])	122.9915	2.242	6	122.9915	5.027	6	122.9915	5.027	6	121.4380	2.050	57	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:4:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4,5])(C[6a]C[6a]2)(H)	C[4,6a](C[4,6a]C[4,5]C[6a])(C[4,5]C[4,5]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4,5])(C[6a]C[6a]2)(H){2|C<4>,2|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[4,5]C[6a])(C[4,5]C[4,5]C[5]H)(C[6a]C[6a]H){2|C<3>,3|C<4>,3|H<1>}	H(C[6a]C[4,6a]C[6a])	121.4610	0.000	1	121.4610	0.000	1	121.6410	0.065	2	121.4380	2.050	57	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:4:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4,5])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,5]C[6a])(C[4,5]C[4,5]C[5]H)(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4,5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[4,6a](C[4,6a]C[4,5]C[6a])(C[4,5]C[4,5]C[5]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[4,6a]C[6a])	121.8210	0.000	1	121.8210	0.000	1	121.6410	0.065	2	121.4380	2.050	57	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:4:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,5,6]C[6a])(C[4,6]C[4,5,6]C[6]H)(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[4,6a](C[4,6a]C[4,5,6]C[6a])(C[4,6]C[4,5,6]C[6]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6a]C[4,6a]C[6a])	121.7930	0.000	1	122.0758	0.028	6	121.9611	0.825	15	121.4380	2.050	57	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:4:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,5,6]C[6a])(C[4,6]C[4,5,6]C[6]H)(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[4,6a](C[4,6a]C[4,5,6]C[6a])(C[4,6]C[4,5,6]C[6]H)(C[6a]C[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[4,6a]C[6a])	122.1278	0.123	4	122.0758	0.028	6	121.9611	0.825	15	121.4380	2.050	57	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:4:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,5,6]C[6a])(C[4,6]C[4,5,6]C[6]H)(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4,6a](C[4,6a]C[4,5,6]C[6a])(C[4,6]C[4,5,6]C[6]H)(C[6a]C[6a]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	H(C[6a]C[4,6a]C[6a])	122.1510	0.000	1	122.0758	0.028	6	121.9611	0.825	15	121.4380	2.050	57	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:4:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6]C[6a])(C[4,6]C[4,6]2H)(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[4,6a](C[4,6a]C[4,6]C[6a])(C[4,6]C[4,6]2H)(C[6a]C[6a]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	H(C[6a]C[4,6a]C[6a])	122.3720	0.072	2	121.8943	0.687	3	121.9611	0.825	15	121.4380	2.050	57	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:4:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6]C[6a])(C[4,6]C[4,6]2H)(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[4,6a](C[4,6a]C[4,6]C[6a])(C[4,6]C[4,6]2H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[4,6a]C[6a])	120.9390	0.000	1	121.8943	0.687	3	121.9611	0.825	15	121.4380	2.050	57	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:4:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6]C[6a])(C[4,6]C[4,6]C[6]H)(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[4,6a](C[4,6a]C[4,6]C[6a])(C[4,6]C[4,6]C[6]H)(C[6a]C[6a]H){1|C<3>,2|C<4>,5|H<1>}	H(C[6a]C[4,6a]C[6a])	119.0760	0.000	1	121.5745	2.929	4	121.9611	0.825	15	121.4380	2.050	57	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:4:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6]C[6a])(C[4,6]C[4,6]C[6]H)(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[4,6a](C[4,6a]C[4,6]C[6a])(C[4,6]C[4,6]C[6]H)(C[6a]C[6a]H){1|N<3>,3|C<3>,4|H<1>}	H(C[6a]C[4,6a]C[6a])	122.2230	0.000	1	121.5745	2.929	4	121.9611	0.825	15	121.4380	2.050	57	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:4:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6]C[6a])(C[4,6]C[4,6]C[6]H)(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[4,6a](C[4,6a]C[4,6]C[6a])(C[4,6]C[4,6]C[6]H)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	H(C[6a]C[4,6a]C[6a])	122.9530	0.000	1	121.5745	2.929	4	121.9611	0.825	15	121.4380	2.050	57	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:4:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6]C[6a])(C[4,6]C[4,6]C[6]H)(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[4,6a](C[4,6a]C[4,6]C[6a])(C[4,6]C[4,6]C[6]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[4,6a]C[6a])	122.0460	0.000	1	121.5745	2.929	4	121.9611	0.825	15	121.4380	2.050	57	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:4:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[4,6]C[6a])(C[4,6]C[4,6]C[6]O)(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4,6])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[4,6a](C[4,6a]C[4,6]C[6a])(C[4,6]C[4,6]C[6]O)(C[6a]C[6a]H){1|C<4>,2|C<3>,4|H<1>}	H(C[6a]C[4,6a]C[6a])	122.4905	0.057	2	122.4905	0.003	2	121.9611	0.825	15	121.4380	2.050	57	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:4:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4]-4:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[4,6a]H)(H)	C[4,6a](C[4,6a]C[4,6a]C[4,5])(C[4]C[4,5]HH)(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[4,6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[4,6a](C[4,6a]C[4,6a]C[4,5])(C[4]C[4,5]HH)(C[6a]C[6a]H){1|H<1>,2|C<3>,2|O<2>}	H(C[6a]C[4,6a]C[6a])	120.8990	0.000	1	120.8990	0.000	1	121.6354	0.806	13	121.4380	2.050	57	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:4:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4]-4:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(H)	C[4,6a](C[4,6a]C[4,5]C[6a])(C[4]C[4,5]CC)(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,3|C<4>}	C[4,6a](C[4,6a]C[4,5]C[6a])(C[4]C[4,5]CC)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	H(C[6a]C[4,6a]C[6a])	121.5900	0.000	1	121.5900	0.000	1	121.6354	0.806	13	121.4380	2.050	57	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:4:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4]-4:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(H)	C[4,6a](C[4,6a]C[6a]Si[4])(C[4]Si[4]CC)(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(H){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	C[4,6a](C[4,6a]C[6a]Si[4])(C[4]Si[4]CC)(C[6a]C[6a]H){2|C<4>,3|C<3>}	H(C[6a]C[4,6a]C[6a])	120.2690	0.000	1	120.2690	0.000	1	121.6354	0.806	13	121.4380	2.050	57	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:4:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4]-4:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(H)	C[4,6a](C[4,6a]Si[4,6]C[6a])(C[4]Si[4,6]Si2)(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]C)(H){1|Si<5>,2|Si<4>,1|C<3>,1|H<1>}	C[4,6a](C[4,6a]Si[4,6]C[6a])(C[4]Si[4,6]Si2)(C[6a]C[6a]H){1|Li<8>,1|C<3>,4|C<4>}	H(C[6a]C[4,6a]C[6a])	120.5035	0.108	2	120.5035	0.012	2	121.6354	0.806	13	121.4380	2.050	57	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:4:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4]-4:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[4]C[3]C[4]H)(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[4,6a](C[4,6a]C[6a]C[4])(C[4]C[3]C[4]H)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|C<4>,4|H<1>}	H(C[6a]C[4,6a]C[6a])	122.2530	0.000	1	122.2530	0.000	1	121.6354	0.806	13	121.4380	2.050	57	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:4:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4]-4:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[4]C[4]C[6]O)(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[4,6a](C[4,6a]C[6a]C[4])(C[4]C[4]C[6]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	H(C[6a]C[4,6a]C[6a])	122.4520	0.018	2	122.4520	0.000	2	121.6354	0.806	13	121.4380	2.050	57	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:4:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4]-4:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[4]C[4]N[6]C)(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[4,6a](C[4,6a]C[6a]C[4])(C[4]C[4]N[6]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	H(C[6a]C[4,6a]C[6a])	122.8170	0.000	1	122.3605	0.106	4	121.6354	0.806	13	121.4380	2.050	57	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:4:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4]-4:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[4]C[4]N[6]C)(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[4,6a](C[4,6a]C[6a]C[4])(C[4]C[4]N[6]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	H(C[6a]C[4,6a]C[6a])	122.0580	0.000	1	122.3605	0.106	4	121.6354	0.806	13	121.4380	2.050	57	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:4:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4]-4:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]C[4])(C[4]C[4]N[6]C)(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[4,6a](C[4,6a]C[6a]C[4])(C[4]C[4]N[6]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]C[4,6a]C[6a])	122.2835	0.070	2	122.3605	0.106	4	121.6354	0.806	13	121.4380	2.050	57	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:4:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:C[4]-4:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]Si[4])(C[4]Si[4]Si2)(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(H){3|Si<4>,1|C<3>,1|H<1>}	C[4,6a](C[4,6a]C[6a]Si[4])(C[4]Si[4]Si2)(C[6a]C[6a]H){1|Si<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[4,6a]C[6a])	120.8960	0.000	1	120.8960	0.000	1	121.6354	0.806	13	121.4380	2.050	57	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:4:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:Ge[4]-4:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]Ge[4])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]Si[4])(Ge[4]C[6a]2Si[4])(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]Ge[4])(C[6a]C[6a]H)(H){1|Si<4>,1|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[6a]Si[4])(Ge[4]C[6a]2Si[4])(C[6a]C[6a]H){2|C<4>,2|H<1>,5|C<3>}	H(C[6a]C[4,6a]C[6a])	120.5960	0.000	1	120.5960	0.000	1	120.5960	0.000	1	121.4380	2.050	57	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:4:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:P[4]-4:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]P[4])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]P[4])(P[4]P[4]PdC)(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]P[4])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<3>,1|C<4>,1|H<1>,1|P<4>}	C[4,6a](C[4,6a]C[6a]P[4])(P[4]P[4]PdC)(C[6a]C[6a]H){1|Pd<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]C[4,6a]C[6a])	121.0215	0.142	2	121.0215	0.020	2	121.0215	0.020	2	121.4380	2.050	57	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	3:4:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,6a]-3:Si[4]-4:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]Si[4])(C[6a]C[6a]H)(H)	C[4,6a](C[4,6a]C[6a]Ge[4])(Si[4]Ge[4]CC)(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]Si[4])(C[6a]C[6a]H)(H){1|Ge<4>,1|C<3>,1|H<1>,2|C<4>}	C[4,6a](C[4,6a]C[6a]Ge[4])(Si[4]Ge[4]CC)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]C[4,6a]C[6a])	120.4460	0.000	1	120.4460	0.000	1	120.4460	0.000	1	121.4380	2.050	57	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	4:3:3:	3:	C[4,6a]-3:C[5,6a]-3:H-1:	C[4,6,6]-4:C[4,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6,6]C[4,6a])(C[5,6a]C[5,6a]C[5])(H)	C[4,6a](C[4,6,6]C[4,6,6]C[6,6]H)(C[4,6a]C[4,6,6]C[6a])(C[6a]C[5,6a]H)	H(C[6a]C[4,6a]C[5,6a])	C[6a](C[4,6a]C[4,6,6]C[4,6a])(C[5,6a]C[5,6a]C[5])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[4,6a](C[4,6,6]C[4,6,6]C[6,6]H)(C[4,6a]C[4,6,6]C[6a])(C[6a]C[5,6a]H){1|O<2>,2|C<3>,4|C<4>}	H(C[6a]C[4,6a]C[5,6a])	123.2920	0.000	1	123.2920	0.000	1	123.2920	0.000	1	122.0356	0.200	17	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	4:3:3:	3:	C[4,6a]-3:C[6,6a]-3:H-1:	C[4,5,6]-4:C[4,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,5,6]C[4,6a])(C[6,6a]C[6,6a]C[6])(H)	C[4,6a](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4,6a]C[4,5,6]C[6a])(C[6a]C[6,6a]H)	H(C[6a]C[4,6a]C[6,6a])	C[6a](C[4,6a]C[4,5,6]C[4,6a])(C[6,6a]C[6,6a]C[6])(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[4,6a](C[4,5,6]C[4,5,6]C[5,5,6]H)(C[4,6a]C[4,5,6]C[6a])(C[6a]C[6,6a]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	H(C[6a]C[4,6a]C[6,6a])	122.0962	0.087	4	122.0962	0.008	4	122.0962	0.008	4	122.0356	0.200	17	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	4:3:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,5,6,6]-4:C[4,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,5,6,6]C[4,6a])(C[6a]C[6a]C)(H)	C[4,6a](C[4,5,6,6]C[5,5,6,6]C[4,5,6]C[6])(C[4,6a]C[4,5,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,5,6,6]C[4,6a])(C[6a]C[6a]C)(H){2|C<3>,3|C<4>}	C[4,6a](C[4,5,6,6]C[5,5,6,6]C[4,5,6]C[6])(C[4,6a]C[4,5,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,3|H<1>,4|C<3>}	H(C[6a]C[4,6a]C[6a])	121.3270	0.000	1	121.3270	0.000	1	121.3270	0.000	1	122.0356	0.200	17	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	4:3:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,5,6]-4:C[4,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,5,6]C[4,6a])(C[6a]C[6a]C)(H)	C[4,6a](C[4,5,6]C[4,5,6,6]C[5,5,6]H)(C[4,6a]C[4,5,6,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,5,6]C[4,6a])(C[6a]C[6a]C)(H){1|C<3>,1|H<1>,3|C<4>}	C[4,6a](C[4,5,6]C[4,5,6,6]C[5,5,6]H)(C[4,6a]C[4,5,6,6]C[6a])(C[6a]C[6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]C[4,6a]C[6a])	121.5310	0.000	1	121.5310	0.000	1	122.0956	0.069	7	122.0356	0.200	17	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	4:3:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,5,6]-4:C[4,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,5,6]C[4,6a])(C[6a]C[6a]H)(H)	C[4,6a](C[4,5,6]C[4,6]C[5,6]O[5])(C[4,6a]C[4,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,5,6]C[4,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[4,6a](C[4,5,6]C[4,6]C[5,6]O[5])(C[4,6a]C[4,6]C[6a])(C[6a]C[6a]H){2|C<3>,3|C<4>,4|H<1>}	H(C[6a]C[4,6a]C[6a])	122.1470	0.000	1	122.1470	0.000	1	122.0956	0.069	7	122.0356	0.200	17	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	4:3:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,5,6]-4:C[4,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,5,6]C[4,6a])(C[6a]C[6a]H)(H)	C[4,6a](C[4,5,6]C[4,6]N[5,6]C[5])(C[4,6a]C[4,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,5,6]C[4,6a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[4,6a](C[4,5,6]C[4,6]N[5,6]C[5])(C[4,6a]C[4,6]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>,4|C<4>}	H(C[6a]C[4,6a]C[6a])	122.1720	0.094	4	122.1720	0.009	4	122.0956	0.069	7	122.0356	0.200	17	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	4:3:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,5,6]-4:C[4,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,5,6]C[4,6a])(C[6a]C[6a]H)(H)	C[4,6a](C[4,5,6]C[5,6a]C[4,6]N[5,6])(C[4,6a]C[4,6]C[6a])(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,5,6]C[4,6a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[4,6a](C[4,5,6]C[5,6a]C[4,6]N[5,6])(C[4,6a]C[4,6]C[6a])(C[6a]C[6a]H){1|C<4>,1|S<4>,3|H<1>,4|C<3>}	H(C[6a]C[4,6a]C[6a])	122.3030	0.000	1	122.3030	0.000	1	122.0956	0.069	7	122.0356	0.200	17	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	4:3:3:	3:	C[4,6a]-3:C[6a]-3:H-1:	C[4,5]-4:C[4,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4,6a]C[4,6a]C[4,5])(C[6a]C[6a]H)(H)	C[4,6a](C[4,5]C[5,6a]C[4]O[5])(C[4,6a]C[6a]C[4])(C[6a]C[6a]H)	H(C[6a]C[4,6a]C[6a])	C[6a](C[4,6a]C[4,6a]C[4,5])(C[6a]C[6a]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[4,6a](C[4,5]C[5,6a]C[4]O[5])(C[4,6a]C[6a]C[4])(C[6a]C[6a]H){2|C<4>,2|H<1>,4|C<3>}	H(C[6a]C[4,6a]C[6a])	122.1760	0.000	1	122.1760	0.000	1	122.1760	0.000	1	122.0356	0.200	17	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	H	3:3:1:	4:3:3:	3:	C[6a,6a]-3:C[4,6a]-3:H-1:	C[4,4]-4:C[4,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]C[4,4])(H)	C[4,6a](C[4,4]C[4,6a]C[4,4]C)(C[4,6a]C[4,4]C[6a])(C[6a]C[6a,6a]H)	H(C[6a]C[6a,6a]C[4,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]C[4,4])(H){1|H<1>,2|C<4>,4|C<3>}	C[4,6a](C[4,4]C[4,6a]C[4,4]C)(C[4,6a]C[4,4]C[6a])(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6a]C[6a,6a]C[4,6a])	121.5853	0.078	3	121.5853	0.006	3	121.5853	0.006	3	122.0356	0.200	17	121.9691	1.473	217	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4a,6a]	H	3:3:1:	3:3:3:	3:	C[4a,6a]-3:C[6a,6a]-3:H-1:	C[4a,6a]-3:C[6a]-3:Si[4a]-3:	C[6a]-3:	C[6a](C[4a,6a]C[4a,6a]Si[4a])(C[6a,6a]C[6a,6a]C[6a])(H)	C[4a,6a](C[4a,6a]Si[4a]C[6a])(C[6a]C[6a,6a]H)(Si[4a]Si[4a]C)	H(C[6a]C[4a,6a]C[6a,6a])	C[6a](C[4a,6a]C[4a,6a]Si[4a])(C[6a,6a]C[6a,6a]C[6a])(H){1|Si<3>,1|C<4>,1|H<1>,3|C<3>}	C[4a,6a](C[4a,6a]Si[4a]C[6a])(C[6a]C[6a,6a]H)(Si[4a]Si[4a]C){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]C[4a,6a]C[6a,6a])	119.4027	0.022	3	119.4027	0.000	3	119.4027	0.000	3	121.2317	1.038	15	121.2317	1.038	15	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4a,6a]	H	3:3:1:	3:3:3:	3:	C[4a,6a]-3:C[6a]-3:H-1:	C[4a,6a]-3:C[4a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4a,6a]C[4a,6a]2)(C[6a]C[4,6a]H)(H)	C[4a,6a](C[4a,6a]C[4a,6a]C[4,6a])(C[4a,6a]C[4a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[4a,6a]C[6a])	C[6a](C[4a,6a]C[4a,6a]2)(C[6a]C[4,6a]H)(H){4|C<3>}	C[4a,6a](C[4a,6a]C[4a,6a]C[4,6a])(C[4a,6a]C[4a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[4a,6a]C[6a])	121.1470	0.000	1	121.1470	0.000	1	121.6861	0.323	7	121.2317	1.038	15	121.2317	1.038	15	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4a,6a]	H	3:3:1:	3:3:3:	3:	C[4a,6a]-3:C[6a]-3:H-1:	C[4a,6a]-3:C[4a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4a,6a]C[4a,6a]2)(C[6a]C[4a,6a]H)(H)	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])(C[4a,6a]C[4a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[4a,6a]C[6a])	C[6a](C[4a,6a]C[4a,6a]2)(C[6a]C[4a,6a]H)(H){4|C<3>}	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])(C[4a,6a]C[4a,6a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[4a,6a]C[6a])	121.1150	0.344	2	121.1150	0.118	2	121.6861	0.323	7	121.2317	1.038	15	121.2317	1.038	15	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4a,6a]	H	3:3:1:	3:3:3:	3:	C[4a,6a]-3:C[6a]-3:H-1:	C[4a,6a]-3:C[4a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4a,6a]C[4a,6a]2)(C[6a]C[6a,6a]H)(H)	C[4a,6a](C[4a,6a]C[4a,6a]C[6a,6a])(C[4a,6a]C[4a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]C[4a,6a]C[6a])	C[6a](C[4a,6a]C[4a,6a]2)(C[6a]C[6a,6a]H)(H){4|C<3>}	C[4a,6a](C[4a,6a]C[4a,6a]C[6a,6a])(C[4a,6a]C[4a,6a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6a]C[4a,6a]C[6a])	122.0100	0.361	2	122.0100	0.130	2	121.6861	0.323	7	121.2317	1.038	15	121.2317	1.038	15	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4a,6a]	H	3:3:1:	3:3:3:	3:	C[4a,6a]-3:C[6a]-3:H-1:	C[4a,6a]-3:C[4a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4a,6a]C[4a,6a]2)(C[6a]C[6a]H)(H)	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])(C[4a,6a]C[4a,6a]2)(C[6a]C[6a]H)	H(C[6a]C[4a,6a]C[6a])	C[6a](C[4a,6a]C[4a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])(C[4a,6a]C[4a,6a]2)(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]C[4a,6a]C[6a])	122.2270	0.000	1	122.2270	0.000	1	121.6861	0.323	7	121.2317	1.038	15	121.2317	1.038	15	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4a,6a]	H	3:3:1:	3:3:3:	3:	C[4a,6a]-3:C[6a]-3:H-1:	C[4a,6a]-3:C[4a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[4a,6a]C[4a,6a]2)(C[6a]C[6a]H)(H)	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])2(C[6a]C[6a]H)	H(C[6a]C[4a,6a]C[6a])	C[6a](C[4a,6a]C[4a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])2(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]C[4a,6a]C[6a])	122.1790	0.000	1	122.1790	0.000	1	121.6861	0.323	7	121.2317	1.038	15	121.2317	1.038	15	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[4a,6a]-3:H-1:	C[4a,6a]-3:C[4a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[4a,6a]C[6a,6a])(C[4a,6a]C[4a,6a]2)(H)	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])2(C[6a]C[6a,6a]H)	H(C[6a]C[4a,6a]C[6a,6a])	C[6a](C[6a,6a]C[4a,6a]C[6a,6a])(C[4a,6a]C[4a,6a]2)(H){6|C<3>}	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])2(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6a]C[4a,6a]C[6a,6a])	121.8490	0.000	1	121.8490	0.000	1	121.6928	0.013	5	121.2317	1.038	15	121.2317	1.038	15	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[4a,6a]-3:H-1:	C[4a,6a]-3:C[4a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]B[6a])(C[4a,6a]C[4a,6a]2)(H)	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])2(C[6a]C[6a,6a]H)	H(C[6a]C[4a,6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]B[6a])(C[4a,6a]C[4a,6a]2)(H){1|B<3>,1|O<2>,4|C<3>}	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])2(C[6a]C[6a,6a]H){1|B<3>,2|H<1>,3|C<3>}	H(C[6a]C[4a,6a]C[6a,6a])	121.7370	0.000	1	121.7370	0.000	1	121.6928	0.013	5	121.2317	1.038	15	121.2317	1.038	15	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[4a,6a]-3:H-1:	C[4a,6a]-3:C[4a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4a,6a]C[4a,6a]2)(H)	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])2(C[6a]C[6a,6a]H)	H(C[6a]C[4a,6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4a,6a]C[4a,6a]2)(H){1|C<2>,5|C<3>}	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])2(C[6a]C[6a,6a]H){1|H<1>,5|C<3>}	H(C[6a]C[4a,6a]C[6a,6a])	121.6395	0.101	2	121.6260	0.006	3	121.6928	0.013	5	121.2317	1.038	15	121.2317	1.038	15	121.9214	1.474	232
643	769	951	0:SP2_SP-NON_SP2	C[6a]	C[4a,6a]	H	3:3:1:	3:3:3:	3:	C[6a,6a]-3:C[4a,6a]-3:H-1:	C[4a,6a]-3:C[4a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4a,6a]C[4a,6a]2)(H)	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])2(C[6a]C[6a,6a]H)	H(C[6a]C[4a,6a]C[6a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4a,6a]C[4a,6a]2)(H){1|H<1>,5|C<3>}	C[4a,6a](C[4a,6a]C[4a,6a]C[6a])2(C[6a]C[6a,6a]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6a]C[4a,6a]C[6a,6a])	121.5990	0.000	1	121.6260	0.006	3	121.6928	0.013	5	121.2317	1.038	15	121.2317	1.038	15	121.9214	1.474	232
643	769	956	0:SP2_SP2_SP2	C[6a]	C[4,6a]	N	3:3:3:	3:3:4:	3:4:4:	C[4,6a]-3:C[6a]-3:N-3:	C[4,6a]-3:C[6a]-3:C[4]-4:	C[6a]-3:C-4:C-4:	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(NCC)	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]N)(C[4]C[4]CO)	N(C[6a]C[4,6a]C[6a])(CCHH)2	C[6a](C[4,6a]C[4,6a]C[4])(C[6a]C[6a]H)(NCC){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[4,6a](C[4,6a]C[6a]C[4])(C[6a]C[6a]N)(C[4]C[4]CO){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	N(C[6a]C[4,6a]C[6a])(CCHH)2	125.2860	0.000	1	125.2860	0.000	1	125.2860	0.000	1	125.2860	0.000	1	125.2860	0.000	1	125.2860	0.000	1
643	769	983	0:SP2_SP1_SP2	C[6a]	C[4,6a]	C	3:3:2:	3:3:3:	3:2:	C[4,6a]-3:C[6a]-3:C-2:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]C[4])(CC)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]C)	C(C[6a]C[4,6a]C[6a])(CC[6a])	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]C[4])(CC){1|Co<9>,1|H<1>,2|C<4>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]C){1|C<4>,2|H<1>,3|C<3>}	C(C[6a]C[4,6a]C[6a])(CC[6a])	128.0360	0.000	1	128.0360	0.000	1	128.0360	0.000	1	125.1976	1.716	9	125.1976	1.716	9	125.1976	1.716	9
643	769	983	0:SP2_SP1_SP2	C[6a]	C[4,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[4,6a]-3:C-2:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)(CC)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]C[4,6a])(CC)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)(CC){1|H<1>,5|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a,6a]C){2|C<2>,4|C<3>}	C(C[6a]C[6a,6a]C[4,6a])(CC)	124.4470	0.958	4	124.4470	0.918	4	124.8427	0.666	8	125.1976	1.716	9	125.1976	1.716	9	125.1976	1.716	9
643	769	983	0:SP2_SP1_SP2	C[6a]	C[4,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[4,6a]-3:C-2:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)(CC)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]C[4,6a])(CC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)(CC){1|H<1>,5|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a,6a]C){2|C<2>,4|C<3>}	C(C[6a]C[6a,6a]C[4,6a])(CC[6a])	124.8465	0.067	2	124.8465	0.005	2	124.8427	0.666	8	125.1976	1.716	9	125.1976	1.716	9	125.1976	1.716	9
643	769	983	0:SP2_SP1_SP2	C[6a]	C[4,6a]	C	3:3:2:	3:3:3:	3:2:	C[6a,6a]-3:C[4,6a]-3:C-2:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:C-2:	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)(CC)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a,6a]C)	C(C[6a]C[6a,6a]C[4,6a])(CSi)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[4,6a]C[4,6a]2)(CC){1|H<1>,5|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a,6a]C){2|C<2>,4|C<3>}	C(C[6a]C[6a,6a]C[4,6a])(CSi)	125.6305	0.194	2	125.6305	0.038	2	124.8427	0.666	8	125.1976	1.716	9	125.1976	1.716	9	125.1976	1.716	9
643	769	984	0:SP2_SP-NON_SP2	C[6a]	C[4,6a]	Ga	3:3:4:	3:3:3:	3:3:2:2:	C[4,6a]-3:C[6a]-3:Ga-4:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:Cl-2:Cl-2:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(GaC[6a]Cl2)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]Ga)	Ga(C[6a]C[4,6a]C[6a])2(ClGa)2	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(GaC[6a]Cl2){1|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]Ga){1|Ga<4>,2|H<1>,3|C<3>}	Ga(C[6a]C[4,6a]C[6a])2(ClGa)2	127.1515	0.514	4	127.1515	0.264	4	127.1515	0.264	4	127.1515	0.264	4	127.1515	0.264	4	127.1515	0.264	4
643	769	992	0:SP2_SP2_SP3	C[6a]	C[4,6a]	P	3:3:4:	3:3:3:	3:3:3:1:	C[4,6a]-3:C[6a]-3:P-4:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:H-1:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(PC[6a]2H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]P)	P(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(H)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(PC[6a]2H){1|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]P){1|B<4>,2|H<1>,3|C<3>}	P(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(H)	122.8640	0.000	1	122.8640	0.000	1	122.8640	0.000	1	122.8640	0.000	1	121.2890	15.642	8	121.2890	15.642	8
643	769	992	0:SP2_SP2_SP3	C[6a]	C[4,6a]	P	3:3:4:	3:3:3:	3:3:3:2:	C[4,6a]-3:C[6a]-3:P-4:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(PC[6a]2O)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]P)	P(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(OB)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(PC[6a]2O){1|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]P){1|B<4>,2|H<1>,3|C<3>}	P(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(OB)	113.2070	0.000	1	113.2070	0.000	1	113.2070	0.000	1	113.2070	0.000	1	121.2890	15.642	8	121.2890	15.642	8
643	769	992	0:SP2_SP2_SP3	C[6a]	C[4,6a]	P	3:3:4:	3:3:3:	3:3:3:3:	C[4,6a]-3:C[6a]-3:P-4:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(PC[6a]2C)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]P)	P(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CCC)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(PC[6a]2C){1|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]P){1|B<4>,2|H<1>,3|C<3>}	P(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CCC)	126.0490	0.000	1	126.0490	0.000	1	124.6180	1.645	3	124.6180	1.645	3	121.2890	15.642	8	121.2890	15.642	8
643	769	992	0:SP2_SP2_SP3	C[6a]	C[4,6a]	P	3:3:4:	3:3:3:	3:3:3:3:	C[4,6a]-3:C[6a]-3:P-4:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(PC[6a]2C)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]P)	P(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CC[6a]C)	C[6a](C[4,6a]C[4,6a]2)(C[6a]C[6a]H)(PC[6a]2C){1|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]P){1|B<4>,2|H<1>,3|C<3>}	P(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CC[6a]C)	123.9025	0.467	2	123.9025	0.218	2	124.6180	1.645	3	124.6180	1.645	3	121.2890	15.642	8	121.2890	15.642	8
643	769	992	0:SP2_SP2_SP3	C[6a]	C[4,6a]	P	3:4:3:	3:3:3:	3:5:3:3:	C[4,6a]-3:P-4:C[6a]-3:	C[4,6a]-3:C[4,6a]-3:C[6a]-3:	C[6a]-3:B[3]-5:C[6a]-3:C[6a]-3:	C[6a](C[4,6a]C[4,6a]2)(PC[6a]2B[3])(C[6a]C[6a]H)	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]P)	P(C[6a]C[4,6a]C[6a])(B[3]B[3,3]2HH)(C[6a]C[6a]2)2	C[6a](C[4,6a]C[4,6a]2)(PC[6a]2B[3])(C[6a]C[6a]H){1|H<1>,3|C<3>}	C[4,6a](C[4,6a]C[4,6a]C[6a])2(C[6a]C[6a]P){1|B<5>,2|H<1>,3|C<3>}	P(C[6a]C[4,6a]C[6a])(B[3]B[3,3]2HH)(C[6a]C[6a]2)2	120.1290	0.750	3	120.1290	0.562	3	120.1290	0.562	3	120.1290	0.562	3	121.2890	15.642	8	121.2890	15.642	8
643	781	863	0:SP2_SP2_SP3	C[6a]	N[6a]	O	4:3:1:	3:3:4:4:	3:	N[6a]-4:N[6a]-3:O-1:	C[6a,6a]-3:C[6a]-3:C-4:C-4:	C[6a]-3:	C[6a](N[6a]C[6a,6a]CC)(N[6a]B[6a]C[6a])(O)	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CH3)2	O(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a]CC)(N[6a]B[6a]C[6a])(O){6|C<3>}	N[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]N[6a]O)(CH3)2{1|B<4>,1|H<1>,3|C<3>}	O(C[6a]N[6a]2)	113.3310	0.000	1	113.3310	0.000	1	113.3310	0.000	1	113.3310	0.000	1	113.3310	0.000	1	113.3310	0.000	1
643	790	813	0:SP2_SP-NON_SP2	C[6a]	Cl	N[5a,6a]	3:3:1:	3:	3:3:2:	N[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	Cl(C[6a]N[5a,6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|C<4>,1|N<2>,2|C<3>}	Cl(C[6a]N[5a,6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]){1|C<2>,1|C<3>,2|H<1>}	117.0700	0.000	1	117.3385	0.144	2	117.3385	0.144	2	117.3385	0.144	2	116.9583	0.506	3	116.9583	0.506	3
643	790	813	0:SP2_SP-NON_SP2	C[6a]	Cl	N[5a,6a]	3:3:1:	3:	3:3:2:	N[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl)	Cl(C[6a]N[5a,6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]C[5a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(Cl){1|C<4>,1|N<2>,2|C<3>}	Cl(C[6a]N[5a,6a]C[6a])	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]Cl)(N[5a]C[5a]){2|C<3>,2|H<1>}	117.6070	0.000	1	117.3385	0.144	2	117.3385	0.144	2	117.3385	0.144	2	116.9583	0.506	3	116.9583	0.506	3
643	790	813	0:SP2_SP-NON_SP2	C[6a]	Cl	N[5a,6a]	3:3:1:	3:	3:3:3:	N[5a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(Cl)	Cl(C[6a]N[5a,6a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]N[5a]H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(Cl){1|C<3>,1|H<1>,2|N<2>}	Cl(C[6a]N[5a,6a]C[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Cl)(C[5a]N[5a]H){1|N<2>,2|H<1>}	116.1980	0.000	1	116.1980	0.000	1	116.1980	0.000	1	116.1980	0.000	1	116.9583	0.506	3	116.9583	0.506	3
643	790	927	0:SP2_SP-NON_SP2	C[6a]	Cl	B[6a,6a]	3:3:1:	3:	3:3:3:	B[6a,6a]-3:C[6a]-3:Cl-1:	C[6a]-3:	N[6a,6a]-3:C[6a]-3:C[6a]-3:	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(Cl)	Cl(C[6a]B[6a,6a]C[6a])	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]Cl)2	C[6a](B[6a,6a]N[6a,6a]C[6a])(C[6a]C[6a]H)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	Cl(C[6a]B[6a,6a]C[6a])	B[6a,6a](N[6a,6a]C[6a]2)(C[6a]C[6a]Cl)2{2|C<3>,4|H<1>}	122.5620	0.326	4	122.5620	0.106	4	122.5620	0.106	4	122.5620	0.106	4	122.5620	0.106	4	122.5620	0.106	4
643	811	811	6:SP2_SP3_SP3	C[6a]	B[6a]	B[6a]	4:4:3:	3:2:1:1:	3:2:1:1:	B[6a]-4:B[6a]-4:C-3:	C[6a]-3:O[6a]-2:Cl-1:Cl-1:	C[6a]-3:O[6a]-2:Cl-1:Cl-1:	C[6a](B[6a]O[6a]Cl2)2(CCC)	B[6a](C[6a]B[6a]C)(O[6a]C[6a])(Cl)2	B[6a](C[6a]B[6a]C)(O[6a]C[6a])(Cl)2	C[6a](B[6a]O[6a]Cl2)2(CCC){1|C<3>}	B[6a](C[6a]B[6a]C)(O[6a]C[6a])(Cl)2{2|Cl<1>,1|O<2>,1|P<4>}	B[6a](C[6a]B[6a]C)(O[6a]C[6a])(Cl)2{2|Cl<1>,1|O<2>,1|P<4>}	117.2750	0.000	1	117.2750	0.000	1	117.2750	0.000	1	117.2750	0.000	1	117.2750	0.000	1	117.2750	0.000	1
643	811	930	0:SP2_SP2_SP3	C[6a]	B[6,6,6a]	C	4:3:3:	3:3:4:4:	3:4:1:	B[6,6,6a]-4:C[6a,6a]-3:C-3:	N[6a,6a]-3:C[6a]-3:C[6,6]-4:C[6,6]-4:	C[6a]-3:C-4:H-1:	C[6a](B[6,6,6a]N[6a,6a]C[6,6]2)(C[6a,6a]C[6a,6a]C[6a])(CCH)	B[6,6,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6,6]C[6]2H)2	C(C[6a]B[6,6,6a]C[6a,6a])(CC3)(H)	C[6a](B[6,6,6a]N[6a,6a]C[6,6]2)(C[6a,6a]C[6a,6a]C[6a])(CCH){3|H<1>,4|C<3>,4|C<4>}	B[6,6,6a](N[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]C)(C[6,6]C[6]2H)2{2|C<4>,4|C<3>,9|H<1>}	C(C[6a]B[6,6,6a]C[6a,6a])(CC3)(H)	123.8280	0.000	1	123.8280	0.000	1	123.8280	0.000	1	123.8280	0.000	1	123.8280	0.000	1	122.0877	2.279	3
643	811	930	0:SP2_SP2_SP3	C[6a]	B[6a]	C	4:4:3:	3:2:1:1:	3:4:4:	B[6a]-4:B[6a]-4:C-3:	C[6a]-3:O[6a]-2:Cl-1:Cl-1:	C[6a]-3:C-4:C-4:	C[6a](B[6a]O[6a]Cl2)2(CCC)	B[6a](C[6a]B[6a]C)(O[6a]C[6a])(Cl)2	C(C[6a]B[6a]2)(CH3)2	C[6a](B[6a]O[6a]Cl2)2(CCC){1|C<3>}	B[6a](C[6a]B[6a]C)(O[6a]C[6a])(Cl)2{2|Cl<1>,1|O<2>,1|P<4>}	C(C[6a]B[6a]2)(CH3)2	121.2175	0.122	2	121.2175	0.015	2	121.2175	0.015	2	121.2175	0.015	2	121.2175	0.015	2	122.0877	2.279	3
643	811	983	0:SP2_SP1_SP3	C[6a,6a]	B[3x6a]	C	4:3:2:	3:3:3:3:	3:2:	B[3x6a]-4:N[6a,6a]-3:C-2:	C[5a,6a,6a]-3:N[5,6a,6a]-3:C[6a,6a]-3:C[6a]-3:	C[6a,6a]-3:N-2:	C[6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[6a,6a]B[3x6a]C[6a])(CN)	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a,6a]N[6a,6a]C)(C[6a]C[6a]2)	C(C[6a,6a]N[6a,6a]B[3x6a])(NC[6a])	C[6a,6a](B[3x6a]C[5a,6a,6a]N[5,6a,6a]C[6a])(N[6a,6a]B[3x6a]C[6a])(CN){2|N<3>,7|C<3>}	B[3x6a](C[5a,6a,6a]N[5a,6a,6a]N[5a])(N[5,6a,6a]C[5,6a,6a]C[5])(C[6a,6a]N[6a,6a]C)(C[6a]C[6a]2){1|B<4>,1|C<4>,1|N<3>,3|H<1>,6|C<3>}	C(C[6a,6a]N[6a,6a]B[3x6a])(NC[6a])	123.8270	0.000	1	123.8270	0.000	1	123.8270	0.000	1	123.8270	0.000	1	123.8270	0.000	1	123.8270	0.000	1
643	813	813	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	N[5a]	3:3:3:	3:3:3:	3:3:3:	N[5a]-3:N[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](N[5a]C[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[5a])	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(C[5a]C[5a]H)	C[6a](N[5a]C[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H){1|H<1>,8|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]N[5a]){3|H<1>,6|C<3>}	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[6a]N[5a,6a]C[6a])(C[5a]C[5a]H){3|H<1>,5|C<3>}	117.0400	0.000	1	117.0400	0.000	1	117.0400	0.000	1	117.0400	0.000	1	117.0400	0.000	1	117.0400	0.000	1
643	813	813	6:SP2_SP2_SP2	C[6a]	N[5a,6a]	N[5a,6a]	3:3:1:	3:3:3:	3:3:3:	N[5a,6a]-3:N[5a,6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])2(O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[5])(C[6a]N[5a,6a]O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[5a,6a]O)(C[5a]C[5a]C)	C[6a](N[5a,6a]C[5a,6a]C[5a])2(O){7|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[5])(C[6a]N[5a,6a]O){1|N<2>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[5a,6a]O)(C[5a]C[5a]C){2|H<1>,3|C<3>}	110.0450	0.000	1	110.0450	0.000	1	110.0450	0.000	1	110.0450	0.000	1	110.0450	0.000	1	110.0450	0.000	1
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:2:1:	3:3:3:	3:	N[5,6a]-3:N[6a]-2:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a])(O)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]C)	O(C[6a]N[5,6a]N[6a])	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a])(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]C){1|C<3>,1|S<4>,2|H<1>}	O(C[6a]N[5,6a]N[6a])	119.3135	0.156	2	119.3135	0.024	2	119.3135	0.024	2	119.3135	0.024	2	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:2:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:O[5]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]O[5])(O)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(O[5]C[5])	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]O[5])(O){1|H<1>,2|C<4>,3|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(O[5]C[5]){3|C<3>,4|H<1>}	O(C[6a]C[6a,6a]N[5,6a])	122.5870	0.000	1	122.5870	0.000	1	122.5870	0.000	1	120.4406	0.718	12	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:2:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:Se[5]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]Se[5])(O)	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(Se[5]C[5,6a])	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]Se[5])(O){1|H<1>,1|N<2>,4|C<3>}	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(Se[5]C[5,6a]){4|C<3>}	O(C[6a]C[6a,6a]N[5,6a])	120.4730	0.359	3	120.4730	0.129	3	120.4730	0.129	3	120.4406	0.718	12	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:2:	3:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(O)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(N[5]C[5])	O(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]){1|Cu<5>,1|C<3>,2|H<1>}	O(C[6a]N[5,6a]C[6a])	119.5395	0.279	2	120.1601	0.343	8	120.1601	0.343	8	120.4406	0.718	12	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:2:	3:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(O)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(N[5]C[5])	O(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]){1|Ni<6>,1|C<3>,2|H<1>}	O(C[6a]N[5,6a]C[6a])	120.5400	0.300	3	120.1601	0.343	8	120.1601	0.343	8	120.4406	0.718	12	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:2:	3:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(O)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(N[5]C[5])	O(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]){1|Pd<4>,1|C<3>,2|H<1>}	O(C[6a]N[5,6a]C[6a])	119.4530	0.000	1	120.1601	0.343	8	120.1601	0.343	8	120.4406	0.718	12	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:2:	3:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(O)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(N[5]C[5])	O(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(N[5]C[5]){1|Pt<4>,1|C<3>,2|H<1>}	O(C[6a]N[5,6a]C[6a])	120.5645	0.336	2	120.1601	0.343	8	120.1601	0.343	8	120.4406	0.718	12	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,6]-3:N[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5,6])(O)	N[5,6a](C[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5,6])(O){1|H<1>,2|C<4>,4|C<3>}	N[5,6a](C[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[5,6a])	120.5238	0.678	5	120.6323	0.439	6	120.6323	0.439	6	120.8641	0.796	27	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,6]-3:N[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5,6])(O)	N[5,6a](C[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5,6])(O){1|H<1>,2|C<4>,4|C<3>}	N[5,6a](C[5,6]C[5,6]C[6])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	O(C[6a]C[6a,6a]N[5,6a])	121.1750	0.000	1	120.6323	0.439	6	120.6323	0.439	6	120.8641	0.796	27	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[5,6a]2)(O)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[5,6a]2)(O){1|H<1>,1|N<3>,5|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O){2|H<1>,5|C<3>}	O(C[6a]C[6a,6a]N[5,6a])	119.1460	0.000	1	119.1460	0.000	1	121.2867	0.811	9	120.8641	0.796	27	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,5]N[6a])(C[6a]C[6a,6a]O){1|H<1>,2|C<4>,4|C<3>}	O(C[6a]C[6a,6a]N[5,6a])	120.9670	0.000	1	120.9670	0.000	1	121.2867	0.811	9	120.8641	0.796	27	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O(C[6a]C[6a,6a]N[5,6a])	121.5710	0.397	3	121.6381	0.156	7	121.2867	0.811	9	120.8641	0.796	27	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O){1|H<1>,1|O<2>,5|C<3>}	O(C[6a]C[6a,6a]N[5,6a])	121.0780	0.000	1	121.6381	0.156	7	121.2867	0.811	9	120.8641	0.796	27	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]2)(O){1|H<1>,1|N<2>,5|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O){1|H<1>,1|O<1>,4|C<3>}	O(C[6a]C[6a,6a]N[5,6a])	121.8920	0.223	3	121.6381	0.156	7	121.2867	0.811	9	120.8641	0.796	27	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]O)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|H<1>,1|O<1>,5|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]O){1|H<1>,2|C<3>,2|C<4>}	O(C[6a]C[6a,6a]N[5,6a])	122.1790	0.000	1	122.1790	0.000	1	121.9617	0.049	3	120.8641	0.796	27	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]N[5]O)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]N[5]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[6a]C[6a,6a]N[5,6a])	121.9710	0.000	1	121.9710	0.000	1	121.9617	0.049	3	120.8641	0.796	27	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]H)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]H){1|H<1>,2|C<3>,2|C<4>}	O(C[6a]C[6a,6a]N[5,6a])	121.7350	0.000	1	121.7350	0.000	1	121.9617	0.049	3	120.8641	0.796	27	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:N[5,5]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]N[5,5])(O)	N[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]N[5,5])(O){1|O<2>,3|C<3>,3|C<4>}	N[5,6a](C[5,6a]C[6a]C[5])(N[5,5]C[5,5]C[5])(C[6a]C[6a,6a]O){2|C<3>,3|C<4>,5|H<1>}	O(C[6a]C[6a,6a]N[5,6a])	119.5460	0.000	1	119.5460	0.000	1	119.5460	0.000	1	120.8641	0.796	27	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]N[5,6a])(O)	N[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]N[5,6a])(O){1|C<4>,1|H<1>,5|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|H<1>,1|O<1>,1|O<2>,5|C<3>}	O(C[6a]C[6a,6a]N[5,6a])	120.1635	0.045	2	120.0877	0.018	3	120.0877	0.018	3	120.8641	0.796	27	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:N[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]N[5,6a])(O)	N[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]N[5,6a])(O){1|C<4>,1|H<1>,5|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){1|O<1>,2|H<1>,5|C<3>}	O(C[6a]C[6a,6a]N[5,6a])	119.9360	0.000	1	120.0877	0.018	3	120.0877	0.018	3	120.8641	0.796	27	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O)	N[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]C)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O){1|H<1>,2|C<4>,4|C<3>}	N[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]C){1|H<1>,1|O<1>,4|C<3>}	O(C[6a]C[6a,6a]N[5,6a])	121.1590	0.069	2	121.1590	0.005	2	120.6987	0.638	3	120.8641	0.796	27	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O)	N[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]N)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	N[5,6a](N[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]N){1|H<1>,1|O<1>,4|C<3>}	O(C[6a]C[6a,6a]N[5,6a])	119.7780	0.000	1	119.7780	0.000	1	120.6987	0.638	3	120.8641	0.796	27	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[6a]H)(O)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]N[5])(C[6a]C[6a]O)	O(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]N[5])(C[6a]C[6a]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]N[5,6a]C[6a])	119.7550	0.000	1	119.7550	0.000	1	119.7550	0.000	1	120.8641	0.796	27	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]C)	O(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]C){1|C<3>,1|C<4>,2|C<2>,2|H<1>}	O(C[6a]N[5,6a]C[6a])	120.4120	0.000	1	120.4120	0.000	1	120.4120	0.000	1	120.8641	0.796	27	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[5a,6a]O)(C[5]C[5]HH)	O(C[6a]C[5a,6a]N[5,6a])	C[6a](C[5a,6a]C[5a,6a]C[5,5a])(N[5,6a]C[5,6a]C[5])(O){1|C<3>,1|N<2>,1|S<2>,2|H<1>,3|C<4>}	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[5a,6a]O)(C[5]C[5]HH){2|C<3>,4|H<1>}	O(C[6a]C[5a,6a]N[5,6a])	120.6230	0.000	1	120.6230	0.000	1	121.6796	0.659	9	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]O)(C[5]N[5]CO)	O(C[6a]C[5a,6a]N[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5,6a]C[5,6a]C[5])(O){1|N<3>,1|O<2>,2|C<4>,4|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]O)(C[5]N[5]CO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	O(C[6a]C[5a,6a]N[5,6a])	121.9740	0.000	1	121.9740	0.000	1	121.6796	0.659	9	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]HO)	O(C[6a]C[5a,6a]N[5,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5,6a]C[5,6a]C[5])(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|N<3>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]HO){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	O(C[6a]C[5a,6a]N[5,6a])	120.7360	0.000	1	120.7360	0.000	1	121.6796	0.659	9	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH)	O(C[6a]C[5a,6a]N[5,6a])	C[6a](C[5a,6a]C[5a,6a]O[5a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH){1|O<1>,1|O<2>,2|C<3>}	O(C[6a]C[5a,6a]N[5,6a])	121.7260	0.000	1	121.7260	0.000	1	121.6796	0.659	9	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH)	O(C[6a]C[5a,6a]N[5,6a])	C[6a](C[5a,6a]C[5a,6a]S[5a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[5a,6a]O)(C[5]C[5]CH){1|O<1>,1|S<2>,2|C<3>}	O(C[6a]C[5a,6a]N[5,6a])	121.3160	0.000	1	121.3160	0.000	1	121.6796	0.659	9	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	C[5a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]O)(C[5]C[5]HH)	O(C[6a]C[5a,6a]N[5,6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5,6a]C[5,6a]C[5])(O){2|C<4>,3|C<3>,3|H<1>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[5a,6a]O)(C[5]C[5]HH){1|C<3>,2|N<3>,4|H<1>}	O(C[6a]C[5a,6a]N[5,6a])	122.1852	0.821	4	122.1852	0.674	4	121.6796	0.659	9	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]O)(C[5]C[5]HH)	O(C[6a]C[6,6a]N[5,6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[5,6a]C[5,6a]C[5])(O){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	N[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6,6a]O)(C[5]C[5]HH){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	O(C[6a]C[6,6a]N[5,6a])	121.3920	0.000	1	121.3920	0.000	1	121.1613	0.056	3	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	C[6,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6,6a]O)(C[5]C[5,6]HH)	O(C[6a]C[6,6a]N[5,6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	N[5,6a](C[5,6a]C[5,6]C[6a])(C[6a]C[6,6a]O)(C[5]C[5,6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	O(C[6a]C[6,6a]N[5,6a])	121.0460	0.180	2	121.0460	0.032	2	121.1613	0.056	3	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]N[5,6a])	118.3660	0.000	1	119.6305	3.198	2	120.7509	0.841	14	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	N[5,6a](C[5,6a]C[6a,6a]N[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){1|Cu<5>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]N[5,6a])	120.8950	0.000	1	119.6305	3.198	2	120.7509	0.841	14	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){2|H<1>,6|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH){5|C<3>}	O(C[6a]C[6a,6a]N[5,6a])	120.1640	0.000	1	120.1640	0.000	1	120.7509	0.841	14	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH){4|C<3>}	O(C[6a]C[6a,6a]N[5,6a])	121.4840	0.000	1	121.4840	0.000	1	120.7509	0.841	14	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|H<1>,1|N<2>,1|O<2>,5|C<3>}	N[5,6a](C[5,6a]C[5,6a]N[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO){4|C<3>}	O(C[6a]C[6a,6a]N[5,6a])	119.7220	0.000	1	119.7220	0.000	1	120.7509	0.841	14	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]CC)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|H<1>,2|C<4>,5|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]CC){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[5,6a])	122.0210	0.000	1	122.0210	0.000	1	120.7509	0.841	14	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){2|C<4>,3|C<3>,3|H<1>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){3|C<3>,4|H<1>}	O(C[6a]C[6a,6a]N[5,6a])	120.3950	0.000	1	120.3950	0.000	1	120.7509	0.841	14	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]N[5,6a])	120.5300	0.000	1	120.9805	0.108	6	120.7509	0.841	14	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,2|C<3>,2|N<2>,3|H<1>}	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]N[5,6a])	121.4820	0.000	1	120.9805	0.108	6	120.7509	0.841	14	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]N[5,6a])	121.0280	0.045	2	120.9805	0.108	6	120.7509	0.841	14	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){1|O<2>,2|C<3>,3|H<1>}	O(C[6a]C[6a,6a]N[5,6a])	120.7240	0.000	1	120.9805	0.108	6	120.7509	0.841	14	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	N[5,6a](C[5,6a]N[6a]C[5])(C[6a]C[6a,6a]O)(C[5]C[5]HH){1|O<2>,2|H<1>,3|C<3>}	O(C[6a]C[6a,6a]N[5,6a])	121.0910	0.000	1	120.9805	0.108	6	120.7509	0.841	14	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a,6a]O)(C[5]C[5]CH)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5])(O){1|N<2>,1|S<2>,2|C<3>,2|C<4>,2|H<1>}	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a,6a]O)(C[5]C[5]CH){1|H<1>,3|C<3>}	O(C[6a]C[6a,6a]N[5,6a])	121.5830	0.000	1	121.5830	0.000	1	120.7509	0.841	14	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O)	N[5,6a](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O){2|H<1>,6|C<3>}	N[5,6a](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CH){1|O<1>,4|C<3>}	O(C[6a]C[6a,6a]N[5,6a])	119.7990	0.000	1	119.7990	0.000	1	119.2877	0.348	3	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O)	N[5,6a](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O){1|H<1>,1|O<2>,6|C<3>}	N[5,6a](N[5,6a]C[5,6a]C[6a])(C[6a]C[6a,6a]O)(C[5]C[5,6a]CO){1|O<1>,4|C<3>}	O(C[6a]C[6a,6a]N[5,6a])	119.0320	0.552	2	119.0320	0.304	2	119.2877	0.348	3	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2)(O)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	O(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2)(O){1|C<4>,2|H<1>,5|C<3>}	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){2|H<1>,4|C<3>}	O(C[6a]N[5,6a]C[6a])	120.7168	0.763	4	120.9102	0.623	5	120.2545	1.193	11	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2)(O)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	O(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]2)(O){2|C<4>,2|H<1>,4|C<3>}	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){2|H<1>,4|C<3>}	O(C[6a]N[5,6a]C[6a])	121.6840	0.000	1	120.9102	0.623	5	120.2545	1.193	11	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]C)(O)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	O(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]C)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){2|H<1>,4|C<3>}	O(C[6a]N[5,6a]C[6a])	119.3787	0.647	3	119.9430	1.553	4	120.2545	1.193	11	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]C)(O)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	O(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]C)(O){2|C<3>,2|C<4>,2|H<1>}	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){2|H<1>,4|C<3>}	O(C[6a]N[5,6a]C[6a])	121.6360	0.000	1	119.9430	1.553	4	120.2545	1.193	11	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(O)	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	O(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a,6a]C[6a,6a]C[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){3|C<3>,3|H<1>}	O(C[6a]N[5,6a]C[6a])	119.5380	0.000	1	119.5380	0.000	1	120.2545	1.193	11	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(O)	N[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH)	O(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a,6a]C[5])(C[6a]C[6a]H)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[5,6a](C[5,6a,6a]C[6a,6a]N[5,6a])(C[6a]C[6a]O)(C[5]C[5]HH){3|C<3>,3|H<1>}	O(C[6a]N[5,6a]C[6a])	118.9390	0.000	1	118.9390	0.000	1	120.2545	1.193	11	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(O)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH)	O(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]2)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>,2|N<3>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH){2|H<1>,4|C<3>}	O(C[6a]N[5,6a]C[6a])	115.8590	0.000	1	115.8590	0.000	1	119.2028	2.430	24	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O)	N[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]C[5]HH)	O(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O){1|C<3>,2|H<1>,3|C<4>}	N[5,6a](C[5,6a]C[5,5]C[6a])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<2>,1|C<3>,2|O<2>,3|H<1>}	O(C[6a]N[5,6a]C[6a])	120.5830	0.000	1	120.5830	0.000	1	119.2028	2.430	24	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH)	O(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(O){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|H<1>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]N[5,6a]C[6a])	117.6235	0.336	2	117.6235	0.113	2	119.2028	2.430	24	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC)	O(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){1|H<1>,2|C<4>,3|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC){2|H<1>,3|C<3>}	O(C[6a]N[5,6a]C[6a])	121.1160	0.000	1	121.2225	0.023	2	119.2028	2.430	24	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC)	O(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){3|C<3>,3|C<4>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]CC){2|H<1>,3|C<3>}	O(C[6a]N[5,6a]C[6a])	121.3290	0.000	1	121.2225	0.023	2	119.2028	2.430	24	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CH)	O(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]CH){2|C<3>,4|H<1>}	O(C[6a]N[5,6a]C[6a])	119.3170	0.000	1	119.3170	0.000	1	119.2028	2.430	24	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH)	O(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH){2|C<3>,4|H<1>}	O(C[6a]N[5,6a]C[6a])	119.8080	0.000	1	119.7540	0.006	2	119.2028	2.430	24	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH)	O(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	O(C[6a]N[5,6a]C[6a])	119.7000	0.000	1	119.7540	0.006	2	119.2028	2.430	24	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH)	O(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){1|C<4>,1|H<1>,1|S<2>,3|C<3>}	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,4|H<1>}	O(C[6a]N[5,6a]C[6a])	118.3815	0.948	4	118.3815	0.899	4	119.2028	2.430	24	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH)	O(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,4|H<1>}	O(C[6a]N[5,6a]C[6a])	118.0690	0.512	4	118.0690	0.262	4	119.2028	2.430	24	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH)	O(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,3|H<1>}	O(C[6a]N[5,6a]C[6a])	118.2820	0.000	1	118.2820	0.000	1	119.2028	2.430	24	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(O)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH)	O(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|N<2>,3|H<1>}	O(C[6a]N[5,6a]C[6a])	120.2290	0.000	1	120.4603	0.074	3	119.2028	2.430	24	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(O)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH)	O(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(O){1|C<4>,1|S<2>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|N<3>,3|H<1>}	O(C[6a]N[5,6a]C[6a])	120.3920	0.000	1	120.4603	0.074	3	119.2028	2.430	24	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(O)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH)	O(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N)(O){1|C<4>,1|S<3>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]CH){1|C<3>,1|N<3>,1|O<1>,3|H<1>}	O(C[6a]N[5,6a]C[6a])	120.7600	0.000	1	120.4603	0.074	3	119.2028	2.430	24	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(O)	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH)	O(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]N[6a])(O){1|C<4>,1|N<2>,1|S<2>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]N[6a]S[5])(C[6a]C[6a]O)(C[5]C[5]HH){1|C<3>,1|N<2>,2|H<1>}	O(C[6a]N[5,6a]C[6a])	119.9965	0.129	2	119.9965	0.017	2	119.2028	2.430	24	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]N[6a]Cl)(O)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH)	O(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]N[6a]Cl)(O){1|C<3>,2|C<4>,2|H<1>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]O)(C[5]C[5]HH){2|Cl<1>,1|N<2>,4|H<1>}	O(C[6a]N[5,6a]C[6a])	122.4500	0.000	1	122.4500	0.000	1	119.2028	2.430	24	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:3:4:	3:	N[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[6a]-3:C[5]-4:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]HH)	O(C[6a]N[5,6a]N[6a])	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]N[6a]O)(C[5]C[5]HH){1|C<4>,2|C<3>,3|H<1>}	O(C[6a]N[5,6a]N[6a])	121.4030	0.000	1	121.4030	0.000	1	121.4030	0.000	1	120.1853	2.178	65	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:4:3:	3:	C[6,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[5,6a]C[5,6a]C[5])(O)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]O)	O(C[6a]C[6,6a]N[5,6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[5,6a]C[5,6a]C[5])(O){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6,6a]O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	O(C[6a]C[6,6a]N[5,6a])	120.3230	0.000	1	120.3230	0.000	1	120.3230	0.000	1	120.1647	2.213	29	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:4:3:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,6a]-3:C[5,6]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5,6])(O)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5,6])(O){1|C<4>,1|H<1>,6|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6]C[5,6a]C[6]2)(C[6a]C[6a,6a]O){1|O<1>,2|H<1>,7|C<3>}	O(C[6a]C[6a,6a]N[5,6a])	121.2870	0.000	1	121.2870	0.000	1	121.2870	0.000	1	120.1647	2.213	29	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:4:3:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O)	N[5,6a](N[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O){2|H<1>,6|C<3>}	N[5,6a](N[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,5|C<3>}	O(C[6a]C[6a,6a]N[5,6a])	120.5060	0.242	5	120.4502	0.066	6	120.1679	2.894	21	120.1647	2.213	29	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:4:3:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O)	N[5,6a](N[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O){2|H<1>,6|C<3>}	N[5,6a](N[5,6a]C[5,6]C[6a])(C[5]C[5,6]C[6a]H)(C[6a]C[6a,6a]O){1|O<1>,2|C<4>,4|C<3>}	O(C[6a]C[6a,6a]N[5,6a])	120.1710	0.000	1	120.4502	0.066	6	120.1679	2.894	21	120.1647	2.213	29	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:4:3:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O)	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O){2|H<1>,6|C<3>}	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O){1|C<4>,1|O<1>,5|C<3>}	O(C[6a]C[6a,6a]N[5,6a])	120.1575	0.254	2	120.0760	0.052	3	120.1679	2.894	21	120.1647	2.213	29	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:4:3:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O)	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O){2|H<1>,6|C<3>}	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]C[5]H)(C[6a]C[6a,6a]O){1|N<3>,1|O<1>,5|C<3>}	O(C[6a]C[6a,6a]N[5,6a])	119.9130	0.000	1	120.0760	0.052	3	120.1679	2.894	21	120.1647	2.213	29	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:4:3:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O)	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O){1|C<4>,1|P<3>,2|H<1>,4|C<3>}	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O){1|H<1>,1|O<1>,6|C<3>}	O(C[6a]C[6a,6a]N[5,6a])	121.0315	1.131	2	120.0498	5.161	12	120.1679	2.894	21	120.1647	2.213	29	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:4:3:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O)	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O){1|Pd<4>,1|H<1>,1|O<1>,6|C<3>}	O(C[6a]C[6a,6a]N[5,6a])	120.3750	0.163	2	120.0498	5.161	12	120.1679	2.894	21	120.1647	2.213	29	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:4:3:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	N[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O)	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]N[5,6a]C[5])(O){1|C<4>,1|P<4>,2|H<1>,4|C<3>}	N[5,6a](N[5,6a]C[6a]C[5])(C[5]C[6a]P[5]H)(C[6a]C[6a,6a]O){1|Rh<4>,1|H<1>,1|O<1>,6|C<3>}	O(C[6a]C[6a,6a]N[5,6a])	119.7230	2.738	8	120.0498	5.161	12	120.1679	2.894	21	120.1647	2.213	29	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:4:3:	3:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]O)	O(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){1|C<4>,1|H<1>,4|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]CH)(C[6a]C[6a]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]N[5,6a]C[6a])	119.7080	0.000	1	119.7080	0.000	1	119.6524	0.008	5	120.1647	2.213	29	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:4:3:	3:	N[5,6a]-3:C[6a]-3:O-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O)	O(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(O){3|C<3>,3|H<1>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5]C[5,6a]HH)(C[6a]C[6a]O){1|N<2>,2|C<3>,2|H<1>}	O(C[6a]N[5,6a]C[6a])	119.6385	0.099	4	119.6385	0.010	4	119.6524	0.008	5	120.1647	2.213	29	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	3:4:3:	3:	N[5,6a]-3:N[6a]-3:O-1:	C[5,6a]-3:C[5]-4:C[6a]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a]H)(O)	N[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]N[6a]O)	O(C[6a]N[5,6a]N[6a])	C[6a](N[5,6a]C[5,6a]C[5])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	N[5,6a](C[5,6a]C[5,5]C[6a])(C[5]C[5,5]CH)(C[6a]N[6a]O){1|C<3>,2|O<2>,4|H<1>}	O(C[6a]N[5,6a]N[6a])	121.3780	0.000	1	121.3780	0.000	1	121.3780	0.000	1	120.1647	2.213	29	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	4:3:3:	3:	C[6a,6a]-3:N[5,6a]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5,5])(O)	N[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[5,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5,6a]C[5,6a]C[5,5])(O){1|H<1>,1|O<2>,3|C<3>,3|C<4>}	N[5,6a](C[5,5]C[5,5]C[5]O)(C[5,6a]C[6a]C[5])(C[6a]C[6a,6a]O){2|C<4>,4|C<3>,4|H<1>}	O(C[6a]C[6a,6a]N[5,6a])	121.5400	0.000	1	121.5400	0.000	1	121.5400	0.000	1	119.8950	2.201	3	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5,6a]	O	3:3:1:	4:3:3:	3:	N[5,6a]-3:C[6a]-3:O-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]2)(O)	N[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]N[6a]N[5])(C[6a]C[6a]O)	O(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]2)(O){1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|C<4>}	N[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]N[6a]N[5])(C[6a]C[6a]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	O(C[6a]N[5,6a]C[6a])	119.0725	0.585	2	119.0725	0.342	2	119.0725	0.342	2	119.8950	2.201	3	120.3170	1.803	138	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:2:1:	3:3:2:	3:	N[5a,6a]-3:N[6a]-2:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a])(O)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a])	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]N[6a])(O){1|C<3>,1|O<1>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]O)(N[5a]C[5a]){2|N<3>}	O(C[6a]N[5a,6a]N[6a])	121.8820	0.000	1	121.8820	0.000	1	121.8820	0.000	1	121.8820	0.000	1	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:2:1:	3:3:3:	3:	N[5a,6a]-3:N[6a]-2:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O)	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a])(O){1|N<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]N[6a]O){1|H<1>,4|C<3>}	O(C[6a]N[5a,6a]N[6a])	121.3850	0.000	1	121.3850	0.000	1	121.3850	0.000	1	120.1392	7.686	6	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:2:1:	3:3:3:	3:	N[5a,6a]-3:N[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(O)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O)	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(O){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[5a,6a]N[6a])	118.2460	0.355	2	118.2460	0.126	2	118.5470	0.164	4	120.1392	7.686	6	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:2:1:	3:3:3:	3:	N[5a,6a]-3:N[6a]-2:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(O)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]I)(C[6a]N[6a]O)	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(O){1|C<3>,1|I<1>,1|N<2>,2|N<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]I)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[5a,6a]N[6a])	118.8480	0.064	2	118.8480	0.004	2	118.5470	0.164	4	120.1392	7.686	6	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:2:1:	3:3:3:	3:	N[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]O[6a]O)	O(C[6a]N[5a,6a]O[6a])	C[6a](N[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O){5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]O[6a]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6a]N[5a,6a]O[6a])	125.2620	0.000	1	125.2620	0.000	1	125.2620	0.000	1	120.1392	7.686	6	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:2:3:	3:	N[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]N[6a]O)	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]N[6a]O){1|C<4>,4|C<3>}	O(C[6a]N[5a,6a]N[6a])	121.0250	0.000	1	121.0250	0.000	1	121.0250	0.000	1	121.0250	0.000	1	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:2:	3:	C[5a,6a]-3:N[5a,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a,6a]N[5a])(O)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a])	O(C[6a]C[5a,6a]N[5a,6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(N[5a,6a]C[5a,6a]N[5a])(O){1|C<3>,2|N<2>,2|N<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[5a,6a]O)(N[5a]C[5a]){1|N<2>,1|N<3>,2|C<3>}	O(C[6a]C[5a,6a]N[5a,6a])	121.7910	0.000	1	121.7910	0.000	1	121.7910	0.000	1	120.8405	1.164	27	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:2:	3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]O)(N[5a]C[5a])	O(C[6a]C[6a,6a]N[5a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O){1|H<1>,1|N<3>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]O)(N[5a]C[5a]){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[5a,6a])	120.3420	0.000	1	120.3420	0.000	1	120.9830	0.452	3	120.8405	1.164	27	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:2:	3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]O)(N[5a]N[5a])	O(C[6a]C[6a,6a]N[5a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O){1|H<1>,1|N<3>,2|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a,6a]O)(N[5a]N[5a]){3|C<3>}	O(C[6a]C[6a,6a]N[5a,6a])	120.9240	0.000	1	120.9240	0.000	1	120.9830	0.452	3	120.8405	1.164	27	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:2:	3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O)	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]O)(N[5a]C[5a])	O(C[6a]C[6a,6a]N[5a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]O)(N[5a]C[5a]){1|S<2>,2|C<3>}	O(C[6a]C[6a,6a]N[5a,6a])	121.6830	0.000	1	121.6830	0.000	1	120.9830	0.452	3	120.8405	1.164	27	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(O)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	O(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(O){1|C<4>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,2|C<4>,2|H<1>}	O(C[6a]N[5a,6a]C[6a])	119.9020	0.000	1	119.9020	0.000	1	120.3785	0.818	17	120.8405	1.164	27	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]C[5a])	O(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|O<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]N[5a,6a]C[6a])	121.9290	0.344	2	121.7330	0.174	3	120.3785	0.818	17	120.8405	1.164	27	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]C[5a])	O(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|O<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]O[6a])(C[6a]C[6a]O)(N[5a]C[5a]){2|C<3>,2|H<1>}	O(C[6a]N[5a,6a]C[6a])	121.3410	0.000	1	121.7330	0.174	3	120.3785	0.818	17	120.8405	1.164	27	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	O(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]N[5a,6a]C[6a])	119.1350	0.169	3	119.7127	0.469	7	120.3785	0.818	17	120.8405	1.164	27	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	O(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|N<3>,2|H<1>}	O(C[6a]N[5a,6a]C[6a])	120.0920	0.081	2	119.7127	0.469	7	120.3785	0.818	17	120.8405	1.164	27	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	O(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,3|H<1>}	O(C[6a]N[5a,6a]C[6a])	120.9030	0.000	1	119.7127	0.469	7	120.3785	0.818	17	120.8405	1.164	27	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a])	O(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,2|H<1>}	O(C[6a]N[5a,6a]C[6a])	119.4970	0.000	1	119.7127	0.469	7	120.3785	0.818	17	120.8405	1.164	27	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a])	O(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|N<2>,1|S<2>,2|C<3>}	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[5a,6a]C[6a])	120.9200	0.000	1	120.4897	0.269	3	120.3785	0.818	17	120.8405	1.164	27	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a])	O(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|N<2>,1|S<2>,2|C<3>}	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,2|H<1>}	O(C[6a]N[5a,6a]C[6a])	120.6350	0.000	1	120.4897	0.269	3	120.3785	0.818	17	120.8405	1.164	27	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a])	O(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|N<2>,1|S<2>,2|C<3>}	N[5a,6a](C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)(N[5a]C[5a]){1|H<1>,2|C<3>}	O(C[6a]N[5a,6a]C[6a])	119.9140	0.000	1	120.4897	0.269	3	120.3785	0.818	17	120.8405	1.164	27	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a])	O(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|C<3>,1|C<4>,1|H<1>}	O(C[6a]N[5a,6a]C[6a])	120.7300	0.000	1	120.6253	0.167	3	120.3785	0.818	17	120.8405	1.164	27	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a])	O(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|S<2>}	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O)(N[5a]C[5a]){1|H<1>,2|C<3>}	O(C[6a]N[5a,6a]C[6a])	120.5730	0.563	2	120.6253	0.167	3	120.3785	0.818	17	120.8405	1.164	27	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:2:	3:	N[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a])	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	O(C[6a]N[5a,6a]N[6a])	121.2500	0.000	1	120.8650	0.296	2	121.9197	0.936	6	120.8405	1.164	27	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:2:	3:	N[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a])	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]C)(O){4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]){2|C<4>,3|C<3>}	O(C[6a]N[5a,6a]N[6a])	120.4800	0.000	1	120.8650	0.296	2	121.9197	0.936	6	120.8405	1.164	27	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:2:	3:	N[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]H)(O)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a])	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]H)(O){4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|H<1>,1|P<4>,3|C<3>}	O(C[6a]N[5a,6a]N[6a])	121.9150	0.000	1	122.1845	0.145	2	121.9197	0.936	6	120.8405	1.164	27	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:2:	3:	N[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]H)(O)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a])	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a,6a]H)(O){4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)(N[5a]C[5a]){2|H<1>,3|C<3>}	O(C[6a]N[5a,6a]N[6a])	122.4540	0.000	1	122.1845	0.145	2	121.9197	0.936	6	120.8405	1.164	27	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:2:	3:	N[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C[5])(O)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a])	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]C[5])(O){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,3|C<4>}	O(C[6a]N[5a,6a]N[6a])	123.2680	0.000	1	123.2680	0.000	1	121.9197	0.936	6	120.8405	1.164	27	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:2:	3:	N[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]N[5a])	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a]H)(O){1|C<3>,1|H<1>,2|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]N[5a]){1|C<3>,2|H<1>}	O(C[6a]N[5a,6a]N[6a])	122.1510	0.000	1	122.1510	0.000	1	121.9197	0.936	6	120.8405	1.164	27	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[5a,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[5a])(O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]C[5a]C)	O(C[6a]C[5a,6a]N[5a,6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[5a])(O){7|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]C[5a]C){1|N<3>,1|O<1>,3|C<3>}	O(C[6a]C[5a,6a]N[5a,6a])	120.4790	0.000	1	120.4790	0.000	1	121.4500	1.886	2	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	C[5a,6a]-3:N[5a,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[5a])(O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]N[5a]H)	O(C[6a]C[5a,6a]N[5a,6a])	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]C[5a])(O){2|H<1>,2|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]O)(C[5a]N[5a]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	O(C[6a]C[5a,6a]N[5a,6a])	122.4210	0.000	1	122.4210	0.000	1	121.4500	1.886	2	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a,6a]C[5a,6a]2)(O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[5a,6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a,6a]C[5a,6a]2)(O){1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O){1|H<1>,1|O<2>,5|C<3>}	O(C[6a]C[6a,6a]N[5a,6a])	121.0560	0.000	1	121.0560	0.000	1	120.3436	0.846	11	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a,6a]C[5a,6a]2)(O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[5a,6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a,6a]C[5a,6a]2)(O){1|H<1>,1|N<2>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]O){1|F<1>,5|C<3>}	O(C[6a]C[6a,6a]N[5a,6a])	120.2570	0.000	1	121.0285	0.363	4	120.3436	0.846	11	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a,6a]C[5a,6a]2)(O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[5a,6a])	C[6a](C[6a,6a]C[3x6a]C[6a])(N[5a,6a]C[5a,6a]2)(O){1|H<1>,1|N<2>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a,6a]O){1|H<1>,5|C<3>}	O(C[6a]C[6a,6a]N[5a,6a])	121.2857	0.383	3	121.0285	0.363	4	120.3436	0.846	11	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O)	N[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[5a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O){1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a,6a]C[6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a,6a]O){1|H<1>,6|C<3>}	O(C[6a]C[6a,6a]N[5a,6a])	121.0390	0.000	1	121.0390	0.000	1	120.3436	0.846	11	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[5a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O){1|H<1>,1|N<3>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a,6a]O){1|N<3>,2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[5a,6a])	119.8720	0.000	1	119.8720	0.000	1	120.3436	0.846	11	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[5a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O){1|H<1>,1|O<2>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a,6a]O){2|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[5a,6a])	119.6280	0.593	2	119.6280	0.351	2	120.3436	0.846	11	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]S[6a])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[5a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]S[6a])(C[6a]C[6a,6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[5a,6a])	119.6630	0.000	1	119.6630	0.000	1	120.3436	0.846	11	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[5a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]2)(O){1|Br<1>,1|N<2>,1|S<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(C[6a]C[6a,6a]O){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[5a,6a])	118.7800	0.000	1	118.7800	0.000	1	120.3436	0.846	11	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[5a])(O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H)	O(C[6a]C[6a,6a]N[5a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]C[5a])(O){1|C<4>,1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]C[6a,6a]N[5a,6a])	118.1160	0.000	1	118.1160	0.000	1	118.1160	0.000	1	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[5a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O){1|H<1>,1|N<2>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a,6a]C[6a])(C[6a]C[6a,6a]O){6|C<3>}	O(C[6a]C[6a,6a]N[5a,6a])	121.9440	0.000	1	121.9440	0.000	1	121.5490	0.312	2	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	C[6a,6a]-3:N[5a,6a]-3:O-1:	C[5a,6a]-3:N[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O)	N[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a,6a]O)	O(C[6a]C[6a,6a]N[5a,6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[5a,6a]C[5a,6a]N[5a])(O){1|H<1>,1|N<2>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(N[5a]C[5a]C[6a])(C[6a]C[6a,6a]O){1|H<1>,5|C<3>}	O(C[6a]C[6a,6a]N[5a,6a])	121.1540	0.000	1	121.1540	0.000	1	121.5490	0.312	2	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a,6a]-3:O-1:	C[5a,6a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O)	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]C)	O(C[6a]C[6a,6a]N[5a,6a])	C[6a](N[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O){1|C<4>,1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]C){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[5a,6a])	121.7060	0.000	1	121.7060	0.000	1	121.2510	0.414	2	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a,6a]-3:O-1:	C[5a,6a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O)	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H)	O(C[6a]C[6a,6a]N[5a,6a])	C[6a](N[5a,6a]C[5a,6a,6a]C[5a])(C[6a,6a]C[6a,6a]C[6a])(O){2|H<1>,5|C<3>}	N[5a,6a](C[5a,6a,6a]C[5a,6a]C[6a,6a])(C[6a]C[6a,6a]O)(C[5a]C[5a]H){1|H<1>,4|C<3>}	O(C[6a]C[6a,6a]N[5a,6a])	120.7960	0.000	1	120.7960	0.000	1	121.2510	0.414	2	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[3x6a]C[6a])(O)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O)(C[5a]N[5a]H)	O(C[6a]C[6a,6a]N[5a,6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a,6a]C[3x6a]C[6a])(O){1|N<2>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a,6a]O)(C[5a]N[5a]H){4|C<3>}	O(C[6a]C[6a,6a]N[5a,6a])	119.3190	0.000	1	119.3190	0.000	1	119.3190	0.000	1	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:O-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(O)	N[5a,6a](C[5a,6]N[5a,6]C[6])(C[5a,6a]B[5a]C[6a])(C[6a]C[6a]O)	O(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(O){1|B<4>,1|H<1>,1|N<3>,2|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>}	O(C[6a]N[5a,6a]C[6a])	120.6905	0.476	2	120.6905	0.226	2	120.6905	0.226	2	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]B[5,5a]C[6a])(C[5a,6]N[5a,6]C[6])(C[6a]C[6a]O)	O(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(O){1|B<4>,1|H<1>,1|N<3>,2|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>}	O(C[6a]N[5a,6a]C[6a])	121.2005	1.063	2	121.2005	1.130	2	121.2005	1.130	2	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O)	O(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(O){1|H<1>,1|O<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]O[5a])(C[6a]C[6a]O){2|H<1>,4|C<3>}	O(C[6a]N[5a,6a]C[6a])	118.9790	0.000	1	118.9790	0.000	1	119.1706	0.933	7	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O)	O(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6a]O){3|C<3>,3|H<1>}	O(C[6a]N[5a,6a]C[6a])	118.8980	0.000	1	118.8980	0.000	1	119.1706	0.933	7	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O)	O(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]S[6a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]N[5a,6a]C[6a])	120.9660	0.000	1	120.9660	0.000	1	119.1706	0.933	7	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O)	O(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(O){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[6a]S[5a])(C[6a]C[6a]O){2|H<1>,3|C<3>}	O(C[6a]N[5a,6a]C[6a])	119.9950	0.000	1	119.9950	0.000	1	119.1706	0.933	7	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O)	O(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(O){1|H<1>,1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]O){3|H<1>,4|C<3>}	O(C[6a]N[5a,6a]C[6a])	118.4520	0.129	3	118.4520	0.017	3	119.1706	0.933	7	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(O)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O)	O(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<4>,1|S<2>,2|C<3>}	O(C[6a]N[5a,6a]C[6a])	118.7480	0.000	1	118.7480	0.000	1	118.6762	0.090	5	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(O)	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	O(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>}	O(C[6a]N[5a,6a]C[6a])	118.8700	0.000	1	118.8105	0.007	2	118.6762	0.090	5	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(O)	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]O)	O(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(O){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	N[5a,6a](C[5a,6a]N[6a]S[5a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|H<1>,2|C<3>}	O(C[6a]N[5a,6a]C[6a])	118.7510	0.000	1	118.8105	0.007	2	118.6762	0.090	5	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O)	O(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	O(C[6a]N[5a,6a]C[6a])	118.8630	0.000	1	118.5060	0.255	2	118.6762	0.090	5	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O)	O(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<3>,1|C<4>,2|H<1>}	O(C[6a]N[5a,6a]C[6a])	118.1490	0.000	1	118.5060	0.255	2	118.6762	0.090	5	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	N[5a,6a]-3:N[5a,6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])2(O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[5])(C[6a]N[5a,6a]O)	O(C[6a]N[5a,6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])2(O){7|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[5])(C[6a]N[5a,6a]O){1|N<2>,2|H<1>,4|C<3>}	O(C[6a]N[5a,6a]2)	127.5810	0.000	1	127.5810	0.000	1	127.5810	0.000	1	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	N[5a,6a]-3:N[5a,6a]-3:O-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])2(O)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[5a,6a]O)(C[5a]C[5a]C)	O(C[6a]N[5a,6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])2(O){7|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]N[5a,6a]O)(C[5a]C[5a]C){2|H<1>,3|C<3>}	O(C[6a]N[5a,6a]2)	122.3730	0.000	1	122.3730	0.000	1	122.3730	0.000	1	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	N[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O)	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a,6a]C)(O){5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]N[6a]O){1|C<4>,1|H<1>,5|C<3>}	O(C[6a]N[5a,6a]N[6a])	121.3040	0.000	1	121.3040	0.000	1	122.0067	0.152	6	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	N[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]2)(O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]2)(O){7|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O){3|H<1>,4|C<3>}	O(C[6a]N[5a,6a]N[6a])	121.8460	0.000	1	121.8460	0.000	1	122.0067	0.152	6	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	N[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]C)(O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]C)(O){1|C<4>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O){1|C<4>,2|H<1>,4|C<3>}	O(C[6a]N[5a,6a]N[6a])	122.1490	0.000	1	122.1490	0.000	1	122.0067	0.152	6	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	N[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]H)(O){1|C<4>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O){3|C<3>,4|H<1>}	O(C[6a]N[5a,6a]N[6a])	122.1380	0.000	1	122.2470	0.023	3	122.0067	0.152	6	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	N[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O)	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]2)(N[6a]C[6a]H)(O){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]N[6a]O){3|C<3>,4|H<1>}	O(C[6a]N[5a,6a]N[6a])	122.3015	0.168	2	122.2470	0.023	3	122.0067	0.152	6	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	N[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C[5])(O)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a]C[5])(O){1|C<4>,1|N<2>,1|O<2>,2|C<3>,3|H<1>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,1|H<1>,2|C<4>}	O(C[6a]N[5a,6a]N[6a])	121.7420	0.000	1	121.7420	0.000	1	123.6969	0.591	13	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:3:3:	3:	N[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O)	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]N[6a]C)(O){1|C<3>,1|H<1>,2|N<2>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[5a]N[5a]H)(C[6a]N[6a]O){1|C<3>,1|C<4>,1|N<2>}	O(C[6a]N[5a,6a]N[6a])	123.8598	0.518	12	123.8598	0.268	12	123.6969	0.591	13	121.2701	4.285	56	121.1191	3.520	93	120.6400	2.637	231
643	813	863	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:1:	3:4:3:	3:	N[5a,6a]-3:N[6a]-3:O-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5a])(N[6a]C[6a]H)(O)	N[5a,6a](C[5a,6a]N[5,5a]C[6a])(B[5a]C[5,5a]CC)(C[6a]N[6a]O)	O(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]B[5a])(N[6a]C[6a]H)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	N[5a,6a](C[5a,6a]N[5,5a]C[6a])(B[5a]C[5,5a]CC)(C[6a]N[6a]O){1|N<3>,2|C<3>,2|H<1>}	O(C[6a]N[5a,6a]N[6a])	123.2595	0.730	2	123.2595	0.534	2	123.2595	0.534	2	123.2595	0.534	2	121.1191	3.520	93	120.6400	2.637	231
643	813	893	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:2:2:	3:3:2:	3:4:	N[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a])	O(C[6a]N[5a,6a]N[6a])(CH3)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(OC){1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]O)(N[5a]C[5a]){1|C<3>,1|N<3>,1|O<2>}	O(C[6a]N[5a,6a]N[6a])(CH3)	114.5230	0.112	2	114.5230	0.012	2	114.5230	0.012	2	114.5230	0.012	2	113.8420	7.640	10	113.8420	7.640	10
643	813	893	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:2:2:	3:3:3:	3:4:	N[5a,6a]-3:N[6a]-2:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O)	O(C[6a]N[5a,6a]N[6a])(CH3)	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(OC){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]O){1|C<3>,2|H<1>}	O(C[6a]N[5a,6a]N[6a])(CH3)	112.7480	0.000	1	112.7480	0.000	1	112.7480	0.000	1	112.7480	0.000	1	113.8420	7.640	10	113.8420	7.640	10
643	813	893	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:2:	3:3:3:	3:3:	N[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6a])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O)	O(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O){2|C<3>,2|H<1>}	O(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)	118.1400	0.000	1	118.1400	0.000	1	118.1400	0.000	1	118.1400	0.000	1	113.8420	7.640	10	113.8420	7.640	10
643	813	893	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:2:	3:3:3:	3:4:	N[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O)	O(C[6a]N[5a,6a]C[6a])(CH3)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|C<4>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]N[5a,6a]C[6a])(CH3)	112.2170	0.000	1	112.1533	0.003	3	111.8700	0.323	4	113.0810	8.935	6	113.8420	7.640	10	113.8420	7.640	10
643	813	893	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:2:	3:3:3:	3:4:	N[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O)	O(C[6a]N[5a,6a]C[6a])(CH3)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]O){1|O<2>,2|C<3>,2|H<1>}	O(C[6a]N[5a,6a]C[6a])(CH3)	112.1215	0.018	2	112.1533	0.003	3	111.8700	0.323	4	113.0810	8.935	6	113.8420	7.640	10	113.8420	7.640	10
643	813	893	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:2:	3:3:3:	3:4:	N[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]O)	O(C[6a]N[5a,6a]C[6a])(CH3)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]N[5a,6a]C[6a])(CH3)	111.0200	0.000	1	111.0200	0.000	1	111.8700	0.323	4	113.0810	8.935	6	113.8420	7.640	10	113.8420	7.640	10
643	813	893	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:2:	3:3:3:	3:4:	N[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6]-4:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6])	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O)	O(C[6a]N[5a,6a]C[6a])(C[6]C[6]2H)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6]){1|H<1>,2|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]O){2|C<3>,2|H<1>}	O(C[6a]N[5a,6a]C[6a])(C[6]C[6]2H)	119.1160	0.000	1	119.1160	0.000	1	119.1160	0.000	1	113.0810	8.935	6	113.8420	7.640	10	113.8420	7.640	10
643	813	893	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	O	3:3:2:	3:3:3:	3:4:	N[5a,6a]-3:C[6a]-3:O-2:	C[5a,6a]-3:Ge[5a]-3:C[6a]-3:	C[6a]-3:C-4:	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(OC)	N[5a,6a](C[5a,6a]C[5a]C[6a])(Ge[5a]N[5a]Cl)(C[6a]C[6a]O)	O(C[6a]N[5a,6a]C[6a])(CH3)	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(OC){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(Ge[5a]N[5a]Cl)(C[6a]C[6a]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6a]N[5a,6a]C[6a])(CH3)	111.8900	0.000	1	111.8900	0.000	1	111.8900	0.000	1	113.0810	8.935	6	113.8420	7.640	10	113.8420	7.640	10
643	813	909	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	S	3:2:2:	3:3:2:	3:4:	N[5a,6a]-3:N[6a]-2:S-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-4:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]S)(N[5a]N[5a])	S(C[6a]N[5a,6a]N[6a])(CH3)	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(SC){1|C<3>,1|H<1>,2|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]S)(N[5a]N[5a]){1|C<3>,1|H<1>}	S(C[6a]N[5a,6a]N[6a])(CH3)	115.4810	0.000	1	115.4810	0.000	1	115.4810	0.000	1	115.4810	0.000	1	115.4810	0.000	1	115.4810	0.000	1
643	813	914	0:SP2_SP2_SP2	C[6,6a]	N[5a,6a]	N[6]	3:3:2:	3:3:3:	3:3:	N[5a,6a]-3:C[6,6a]-3:N[6]-2:	C[5a,6a]-3:C[6,6a]-3:C[5a]-3:	C[6,6a]-3:C[6]-3:	C[6,6a](N[5a,6a]C[5a,6a]C[5a])(C[6,6a]N[5a,6a]C[6])(N[6]C[6])	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[5a]N[5a]C[3])	N[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]H)	C[6,6a](N[5a,6a]C[5a,6a]C[5a])(C[6,6a]N[5a,6a]C[6])(N[6]C[6]){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6,6a]C[6,6a]N[6])(C[5a]N[5a]C[3]){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|C<4>}	N[6](C[6,6a]N[5a,6a]C[6,6a])(C[6]C[6]H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	118.8620	0.000	1	118.8620	0.000	1	118.8620	0.000	1	118.8620	0.000	1	118.8620	0.000	1	118.8620	0.000	1
643	813	924	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	Br	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:Br-1:	C[5a,6a]-3:C[6a]-3:C[5a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]N)	Br(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(Br){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]Br)(C[5a]C[5a]N){2|C<3>,2|H<1>}	Br(C[6a]N[5a,6a]C[6a])	121.1600	0.000	1	121.1600	0.000	1	121.1600	0.000	1	121.1600	0.000	1	121.1600	0.000	1	121.1600	0.000	1
643	813	930	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	C	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C-3:C-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCC)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a])	C(C[6a]N[5a,6a]C[6a])(CHN)(COO)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(CCC){1|C<3>,1|C<4>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]C)(N[5a]C[5a]){1|C<3>,2|H<1>}	C(C[6a]N[5a,6a]C[6a])(CHN)(COO)	119.2840	0.000	1	119.2840	0.000	1	119.2840	0.000	1	119.2840	0.000	1	119.5208	0.516	4	119.5208	0.516	4
643	813	930	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	C	3:3:3:	3:3:3:	3:2:1:	N[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:O-2:O-1:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(COO)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C)	C(C[6a]N[5a,6a]C[6a])(OC)(O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(COO){5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]C){1|N<3>,2|H<1>,4|C<3>}	C(C[6a]N[5a,6a]C[6a])(OC)(O)	120.5900	0.000	1	120.5900	0.000	1	120.5900	0.000	1	120.5900	0.000	1	119.5208	0.516	4	119.5208	0.516	4
643	813	930	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	C	3:3:3:	3:3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(CC[6a]O)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[5a,6a]H)(CC[6a]O){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){1|C<3>,1|N<3>,2|H<1>}	C(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(O)	119.0780	0.000	1	119.0780	0.000	1	119.1045	0.001	2	119.1045	0.001	2	119.5208	0.516	4	119.5208	0.516	4
643	813	930	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	C	3:3:3:	3:3:3:	3:3:1:	N[5a,6a]-3:C[6a]-3:C-3:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-1:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C)	C(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(O)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(CC[6a]O){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]C){2|C<3>,2|H<1>}	C(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)(O)	119.1310	0.000	1	119.1310	0.000	1	119.1045	0.001	2	119.1045	0.001	2	119.5208	0.516	4	119.5208	0.516	4
643	813	933	0:SP2_SP2_SP2	C[6a]	N[5a]	O[6a]	3:2:3:	3:3:2:	3:3:	N[5a]-3:O[6a]-2:C[6a]-3:	C[6a]-3:C[5a]-3:N[5a]-2:	C[6a,6a]-3:C[6a]-3:	C[6a](N[5a]C[5a]N[5a])(O[6a]C[6a,6a])(C[6a]C[6a]H)	N[5a](C[6a]C[6a]O[6a])(C[5a]N[5a]H)(N[5a]C[5a])	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a])	C[6a](N[5a]C[5a]N[5a])(O[6a]C[6a,6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	N[5a](C[6a]C[6a]O[6a])(C[5a]N[5a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	O[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N[5a]){1|N<2>,2|H<1>,4|C<3>}	109.3700	0.000	1	109.3700	0.000	1	109.3700	0.000	1	109.3700	0.000	1	109.3700	0.000	1	109.3700	0.000	1
643	813	933	6:SP2_SP2_SP2	C[6a]	N[5a,6a]	O[6a]	3:2:1:	3:3:3:	3:3:	N[5a,6a]-3:O[6a]-2:O-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]O[6a]O)	O[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]2)(O[6a]C[6a])(O){5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]O[6a]O){1|C<4>,2|H<1>,3|C<3>}	O[6a](C[6a]N[5a,6a]O)(C[6a]C[6a]2){1|H<1>,4|C<3>}	115.5210	0.000	1	115.5210	0.000	1	115.5210	0.000	1	115.5210	0.000	1	115.5210	0.000	1	115.5210	0.000	1
643	813	941	0:SP2_SP2_SP2	C[6a]	N[5,6a]	N	3:3:2:	3:3:3:	3:1:	N[5,6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[5,6a]C)(NH)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N)	N(C[6a]N[5,6a]C[6a])(H)	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[5,6a]C)(NH){1|O<2>,1|S<2>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]C[5,6a]S[5])(C[6a]C[6a]N){1|C<2>,1|H<1>,4|C<3>}	N(C[6a]N[5,6a]C[6a])(H)	118.3400	0.000	1	118.3400	0.000	1	118.0110	0.216	2	118.0110	0.216	2	118.0110	0.216	2	118.0395	0.576	4
643	813	941	0:SP2_SP2_SP2	C[6a]	N[5,6a]	N	3:3:2:	3:3:3:	3:1:	N[5,6a]-3:C[6a]-3:N-2:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:H-1:	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[6a]C)(NH)	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]N[5])(C[6a]C[6a]N)	N(C[6a]N[5,6a]C[6a])(H)	C[6a](N[5,6a]C[5,6a]2)(C[6a]C[6a]C)(NH){1|N<2>,1|N<3>,3|C<3>}	N[5,6a](C[5,6a]C[5,6a]C[6a])(C[5,6a]N[6a]N[5])(C[6a]C[6a]N){1|C<2>,1|C<4>,1|H<1>,3|C<3>}	N(C[6a]N[5,6a]C[6a])(H)	117.6820	0.000	1	117.6820	0.000	1	118.0110	0.216	2	118.0110	0.216	2	118.0110	0.216	2	118.0395	0.576	4
643	813	941	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	N	3:3:2:	3:3:2:	3:1:	N[5a,6a]-3:C[6a]-3:N-2:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:H-1:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(NH)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a])	N(C[6a]N[5a,6a]C[6a])(H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]N)(NH){1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]N)(N[5a]C[5a]){1|N<2>,3|N<3>}	N(C[6a]N[5a,6a]C[6a])(H)	118.9360	0.000	1	118.9360	0.000	1	118.9360	0.000	1	118.9360	0.000	1	118.0680	1.507	2	118.0395	0.576	4
643	813	941	0:SP2_SP2_SP2	C[6a]	N[5a,6a]	N	3:3:2:	3:3:3:	3:3:	C[5a,6a]-3:N[5a,6a]-3:N-2:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(NC[6a])	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]N)	N(C[6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]N[5a,6a]C[5a])(N[5a,6a]C[5a,6a]2)(NC[6a]){1|N<3>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[5a,6a]N){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	N(C[6a]C[5a,6a]N[5a,6a])(C[6a]C[6a]2)	117.2000	0.000	1	117.2000	0.000	1	117.2000	0.000	1	117.2000	0.000	1	118.0680	1.507	2	118.0395	0.576	4
643	813	944	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	I	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]I)(N[5a]N[5a])	I(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I){1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]I)(N[5a]N[5a]){1|C<2>,1|C<3>,2|H<1>}	I(C[6a]N[5a,6a]C[6a])	118.4960	0.000	1	118.8540	0.256	2	118.8540	0.256	2	118.8540	0.256	2	118.8540	0.256	2	118.8540	0.256	2
643	813	944	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	I	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:I-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]I)(N[5a]N[5a])	I(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(I){1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]I)(N[5a]N[5a]){1|C<3>,3|H<1>}	I(C[6a]N[5a,6a]C[6a])	119.2120	0.000	1	118.8540	0.256	2	118.8540	0.256	2	118.8540	0.256	2	118.8540	0.256	2	118.8540	0.256	2
643	813	945	0:SP2_SP2_SP3	C[6a]	N[5a,6a]	P	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:P-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a])	P(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a]){1|C<3>,1|C<4>,2|H<1>}	P(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)2	116.3740	1.761	2	115.5932	1.864	4	115.5932	1.864	4	115.5932	1.864	4	117.2300	14.793	5	117.2300	14.793	5
643	813	945	0:SP2_SP2_SP3	C[6a]	N[5a,6a]	P	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:P-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a])	P(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a]){1|C<3>,3|H<1>}	P(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)2	114.6470	0.000	1	115.5932	1.864	4	115.5932	1.864	4	115.5932	1.864	4	117.2300	14.793	5	117.2300	14.793	5
643	813	945	0:SP2_SP2_SP3	C[6a]	N[5a,6a]	P	3:3:3:	3:3:2:	3:3:3:	N[5a,6a]-3:C[6a]-3:P-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[6a]-3:C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a])	P(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6a]2){1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a]){2|C<3>,2|H<1>}	P(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)2	114.9780	0.000	1	115.5932	1.864	4	115.5932	1.864	4	115.5932	1.864	4	117.2300	14.793	5	117.2300	14.793	5
643	813	945	0:SP2_SP2_SP3	C[6a]	N[5a,6a]	P	3:3:3:	3:3:2:	3:4:4:	N[5a,6a]-3:C[6a]-3:P-3:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:C[6]-4:C[6]-4:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6]2)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a])	P(C[6a]N[5a,6a]C[6a])(C[6]C[6]2H)2	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6]2){1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]P)(N[5a]N[5a]){1|C<3>,3|H<1>}	P(C[6a]N[5a,6a]C[6a])(C[6]C[6]2H)2	123.7770	0.000	1	123.7770	0.000	1	123.7770	0.000	1	123.7770	0.000	1	117.2300	14.793	5	117.2300	14.793	5
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:2:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:N[5]-2:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5])	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]N[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	N[5,6a](C[5,6a]N[6a]N[5])(C[6a]C[6a]H)(N[5]C[5]){1|C<3>,3|H<1>}	H(C[6a]N[5,6a]C[6a])	121.7310	0.003	2	121.7310	0.000	2	121.7310	0.000	2	120.3547	2.618	8	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:2:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5])	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]N[5,6a]C[6a])	120.6210	0.000	1	120.7937	0.025	3	119.8960	2.655	6	120.3547	2.618	8	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:2:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5])	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]N[5,6a]C[6a])	120.9310	0.000	1	120.7937	0.025	3	119.8960	2.655	6	120.3547	2.618	8	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:2:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5])	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(S[5]N[5]){2|C<3>,2|H<1>}	H(C[6a]N[5,6a]C[6a])	120.8290	0.000	1	120.7937	0.025	3	119.8960	2.655	6	120.3547	2.618	8	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:2:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:S[5]-2:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5])	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]S[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(S[5]C[5]){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]N[5,6a]C[6a])	118.9983	2.048	3	118.9983	4.195	3	119.8960	2.655	6	120.3547	2.618	8	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,5a]-3:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]C)(H)	N[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,5a]C[5,6a])(C[6a]C[6a]C)(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	N[5,6a](C[5,5a]N[5,5a]N[5a])(C[5,6a]C[6a]C[5])(C[6a]C[6a]H){1|S<1>,2|C<4>,3|C<3>}	H(C[6a]N[5,6a]C[6a])	118.0420	0.000	1	118.0420	0.000	1	118.0420	0.000	1	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|H<1>,1|N<3>,3|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Br<1>,1|H<1>,1|O<1>,4|C<3>}	H(C[6a]N[5,6a]C[6a])	120.9980	0.000	1	120.9980	0.000	1	120.7971	0.046	24	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5])(C[6a]C[6a]H)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6]N[5])(C[6a]C[6a]H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]N[5,6a]C[6a])	120.8900	0.003	2	120.8900	0.000	2	120.7971	0.046	24	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[5]C[6a]N[5])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	H(C[6a]N[5,6a]C[6a])	120.8880	0.175	13	120.8880	0.031	13	120.7971	0.046	24	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]N[5,6a]C[6a])	120.4120	0.000	1	120.4930	0.013	2	120.7971	0.046	24	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]N[5,6a]C[6a])	120.5740	0.000	1	120.4930	0.013	2	120.7971	0.046	24	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){1|Pd<4>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]N[5,6a]C[6a])	120.5010	0.000	1	120.4825	0.001	2	120.7971	0.046	24	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[5]C[6a]C[5])(C[6a]C[6a]H){3|C<3>,4|H<1>}	H(C[6a]N[5,6a]C[6a])	120.4640	0.000	1	120.4825	0.001	2	120.7971	0.046	24	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]H)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	H(C[6a]N[5,6a]C[6a])	120.5980	0.130	2	120.5980	0.017	2	120.7971	0.046	24	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5,6a](C[5,6a]N[5,6]C[6a])(C[5]C[5,6]N)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]N[5,6a]C[6a])	120.7270	0.000	1	120.7270	0.000	1	120.7971	0.046	24	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[5]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]N[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[5,6a](C[5,6a]N[6a]N[5])(C[5]C[5]C[6])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]N[5,6a]C[6a])	120.9350	0.000	1	120.9350	0.000	1	120.7971	0.046	24	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]Br)(H){1|N<3>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Br<1>,1|C<3>,1|H<1>,2|C<4>}	H(C[6a]N[5,6a]C[6a])	120.8950	0.000	1	120.8950	0.000	1	120.1547	3.103	43	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Ir)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Ir){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]N[5,6a]C[6a])	119.7190	0.143	2	119.7190	0.020	2	120.1547	3.103	43	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|N<3>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|Cl<1>,1|C<3>,3|C<4>}	H(C[6a]N[5,6a]C[6a])	120.5495	0.510	2	120.5495	0.260	2	120.1547	3.103	43	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]Pd)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]C)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]Pd){1|H<1>,2|C<3>,2|C<4>}	H(C[6a]N[5,6a]C[6a])	120.7670	0.000	1	120.7670	0.000	1	120.1547	3.103	43	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Fe)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Fe){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]N[5,6a]C[6a])	120.3180	0.000	1	120.3180	0.000	1	120.1547	3.103	43	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]N[5,6a]C[6a])	120.8106	0.065	5	120.8106	0.004	5	120.1547	3.103	43	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Ir)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Ir){2|C<3>,3|H<1>}	H(C[6a]N[5,6a]C[6a])	120.7310	0.000	1	120.7310	0.000	1	120.1547	3.103	43	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Rh)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Rh<4>,1|H<1>,1|N<3>,2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Rh){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]N[5,6a]C[6a])	120.7890	0.242	2	120.4399	0.111	8	120.1547	3.103	43	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Rh)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Rh<4>,1|H<1>,1|N<3>,2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Rh){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]N[5,6a]C[6a])	120.4560	0.238	4	120.4399	0.111	8	120.1547	3.103	43	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Rh)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Rh){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]N[5,6a]C[6a])	120.0585	0.121	2	120.4399	0.111	8	120.1547	3.103	43	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]S){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]N[5,6a]C[6a])	120.4763	0.150	3	120.4763	0.023	3	120.1547	3.103	43	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Se)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Se<1>,1|H<1>,1|N<3>,2|C<3>}	N[5,6a](C[5,6a]C[6a]C[5])(C[6a]C[6a]H)(C[5]N[5]Se){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]N[5,6a]C[6a])	120.1630	0.000	1	120.1630	0.000	1	120.1547	3.103	43	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,4|H<1>}	H(C[6a]N[5,6a]C[6a])	120.9680	0.000	1	120.6860	0.159	2	120.1547	3.103	43	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]C){1|Rh<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6a]N[5,6a]C[6a])	120.4040	0.000	1	120.6860	0.159	2	120.1547	3.103	43	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]N[5,6a]C[6a])	120.8410	0.000	1	120.5250	0.182	6	120.1547	3.103	43	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){1|C<3>,4|H<1>}	H(C[6a]N[5,6a]C[6a])	120.2785	0.462	2	120.5250	0.182	6	120.1547	3.103	43	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]H){2|C<3>,3|H<1>}	H(C[6a]N[5,6a]C[6a])	120.5840	0.483	3	120.5250	0.182	6	120.1547	3.103	43	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]Pd)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]C[5]Pd){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]N[5,6a]C[6a])	120.3140	0.000	1	120.3140	0.000	1	120.1547	3.103	43	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]N[5,6a]C[6a])	114.0190	0.000	1	114.0190	0.000	1	120.1547	3.103	43	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]N)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]N){2|C<3>,2|H<1>}	H(C[6a]N[5,6a]C[6a])	120.5480	0.000	1	120.5480	0.000	1	120.1547	3.103	43	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]S)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<1>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]N[5]S){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]N[5,6a]C[6a])	111.1500	0.000	1	111.1500	0.000	1	120.1547	3.103	43	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]S[5]N)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]S[5]N){1|C<3>,2|H<1>}	H(C[6a]N[5,6a]C[6a])	120.2470	0.000	1	120.2470	0.000	1	120.1547	3.103	43	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]S[5]S)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<1>,1|S<2>}	N[5,6a](C[5,6a]C[6a]N[5])(C[6a]C[6a]H)(C[5]S[5]S){1|C<3>,1|H<1>,1|O<2>}	H(C[6a]N[5,6a]C[6a])	120.5190	0.000	2	120.5190	0.000	2	120.1547	3.103	43	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|O<2>,3|C<3>}	N[5,6a](C[5,6a]C[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6a]N[5,6a]C[6a])	120.9580	0.000	1	120.9580	0.000	1	120.1547	3.103	43	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[5,6a](C[5,6a]C[6a]S[5])(C[6a]C[6a]H)(C[5]C[5]C){2|C<3>,2|H<1>}	H(C[6a]N[5,6a]C[6a])	119.9470	0.000	1	119.9470	0.000	1	120.1547	3.103	43	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:C[6a]-3:C[5]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]H)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	N[5,6a](C[5,6a]N[6a]O[5])(C[6a]C[6a]H)(C[5]C[5]H){1|H<1>,2|C<3>}	H(C[6a]N[5,6a]C[6a])	121.4980	0.000	1	121.4980	0.000	1	120.1547	3.103	43	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a]-3:N[5,6]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a]N[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]N[5,6])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5,6a](C[5,6a]N[6a]N[5])(N[5,6]C[5,6]C[6])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]N[5,6a]C[6a])	122.6420	0.000	1	122.6420	0.000	1	122.6420	0.000	1	120.3836	2.181	69	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:6:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:Ga[5,5]-6:C[6a]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a,6a]Ga[5,5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Ga[5,5]N[5,6]3Cl2)(C[6a]C[6a]H)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a,6a]Ga[5,5])(C[6a]C[6a]H)(H){2|Cl<1>,1|H<1>,2|C<3>,3|N<3>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Ga[5,5]N[5,6]3Cl2)(C[6a]C[6a]H){1|H<1>,8|C<3>}	H(C[6a]N[5,6a]C[6a])	118.8240	0.000	1	118.8240	0.000	1	118.8240	0.000	1	119.0691	0.067	9	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:6:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:Ga[5]-6:C[6a]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a,6a]Ga[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Ga[5]N[5,6]F3O)(C[6a]C[6a]H)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a,6a]Ga[5])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,1|O<3>,2|C<3>,3|F<1>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Ga[5]N[5,6]F3O)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]N[5,6a]C[6a])	118.9340	0.000	1	118.9340	0.000	1	118.9340	0.000	1	119.0691	0.067	9	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:6:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:In[5]-6:C[6a]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a,6a]In[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(In[5]N[5,6]ClO3)(C[6a]C[6a]H)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a,6a]In[5])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,3|O<2>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(In[5]N[5,6]ClO3)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]N[5,6a]C[6a])	118.6680	0.000	1	118.6680	0.000	1	118.6680	0.000	1	119.0691	0.067	9	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:6:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:Si[3x5]-6:C[6a]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a,6a]Si[3x5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[3x5]N[5,6a]N[5,6]2O[5]2)(C[6a]C[6a]H)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a,6a]Si[3x5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|O<2>,3|N<3>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[3x5]N[5,6a]N[5,6]2O[5]2)(C[6a]C[6a]H){10|C<3>,1|H<1>}	H(C[6a]N[5,6a]C[6a])	119.2590	0.044	2	119.2590	0.002	2	119.2590	0.002	2	119.0691	0.067	9	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:6:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:Si[5]-6:C[6a]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a,6a]Si[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]CF3)(C[6a]C[6a]H)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a,6a]Si[5])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>,3|F<1>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]CF3)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]N[5,6a]C[6a])	119.0370	0.007	2	119.0370	0.000	2	119.1695	0.060	4	119.0691	0.067	9	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:6:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:Si[5]-6:C[6a]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a,6a]Si[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]Cl4)(C[6a]C[6a]H)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a,6a]Si[5])(C[6a]C[6a]H)(H){4|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]Cl4)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]N[5,6a]C[6a])	119.0680	0.000	1	119.0680	0.000	1	119.1695	0.060	4	119.0691	0.067	9	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	3:6:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,6a,6a]-3:Si[5]-6:C[6a]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a,6a]Si[5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]N[5a]2NN)(C[6a]C[6a]H)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a,6a]Si[5])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>,3|N<3>}	N[5,6a](C[5,6a,6a]C[5,6,6a]C[6a,6a])(Si[5]N[5,6]N[5a]2NN)(C[6a]C[6a]H){1|H<1>,4|C<3>,4|N<2>}	H(C[6a]N[5,6a]C[6a])	119.5360	0.000	1	119.5360	0.000	1	119.1695	0.060	4	119.0691	0.067	9	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	4:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H)	N[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<4>}	N[5,6a](C[5,5]C[5,5]C[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	H(C[6a]N[5,6a]C[6a])	116.7600	0.000	1	116.7600	0.000	1	118.5243	5.257	3	118.5243	5.257	3	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	4:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|O<2>}	N[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H){1|C<3>,1|H<1>,3|C<4>}	H(C[6a]N[5,6a]C[6a])	117.6970	0.000	1	119.4065	5.845	2	118.5243	5.257	3	118.5243	5.257	3	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	4:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	C[5,5]-4:C[5,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H)	N[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a]C[5,5])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|O<2>}	N[5,6a](C[5,5]C[5,5]O[5]H)(C[5,6a]N[6a]O[5])(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]N[5,6a]C[6a])	121.1160	0.000	1	119.4065	5.845	2	118.5243	5.257	3	118.5243	5.257	3	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	6:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	In[3x4,5,3x6]-6:C[5,6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5,6a]In[3x4,5,3x6]C[5,6a,6a])(C[6a]C[6a]H)(H)	N[5,6a](In[3x4,5,3x6]S[3x4,3x6]3N[5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[6a]C[6a]H)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]In[3x4,5,3x6]C[5,6a,6a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,3|S<3>}	N[5,6a](In[3x4,5,3x6]S[3x4,3x6]3N[5,6]Cl)(C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[6a]C[6a]H){3|In<6>,1|H<1>,4|C<3>}	H(C[6a]N[5,6a]C[6a])	118.6670	0.167	2	118.6670	0.028	2	118.6670	0.028	2	118.7320	0.027	3	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5,6a]	H	3:3:1:	6:3:3:	3:	N[5,6a]-3:C[6a]-3:H-1:	In[4,5,6]-6:C[5,6a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5,6a]C[5,6a,6a]In[4,5,6])(C[6a]C[6a]H)(H)	N[5,6a](In[4,5,6]Se[4,6]N[5,6]Se[4]Se[6]Cl)(C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[6a]C[6a]H)	H(C[6a]N[5,6a]C[6a])	C[6a](N[5,6a]C[5,6a,6a]In[4,5,6])(C[6a]C[6a]H)(H){1|Cl<1>,1|Se<3>,2|Se<2>,1|H<1>,1|N<3>,2|C<3>}	N[5,6a](In[4,5,6]Se[4,6]N[5,6]Se[4]Se[6]Cl)(C[5,6a,6a]C[5,6,6a]C[6a,6a])(C[6a]C[6a]H){1|In<5>,2|In<4>,1|H<1>,4|C<3>}	H(C[6a]N[5,6a]C[6a])	118.8620	0.000	1	118.8620	0.000	1	118.8620	0.000	1	118.7320	0.027	3	120.1380	2.267	92	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:2:1:	3:3:2:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a])	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(H){1|N<2>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>}	H(C[6a]N[5a,6a]N[6a])	118.8400	0.000	1	119.1480	0.190	2	119.0279	0.202	7	119.0279	0.202	7	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:2:1:	3:3:2:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a])	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(H){1|N<2>,1|S<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]C[5a]){3|C<3>}	H(C[6a]N[5a,6a]N[6a])	119.4560	0.000	1	119.1480	0.190	2	119.0279	0.202	7	119.0279	0.202	7	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:2:1:	3:3:2:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a])	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[5a,6a])(H){1|C<3>,1|N<3>,2|N<2>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a]){2|C<3>}	H(C[6a]N[5a,6a]N[6a])	119.1760	0.229	3	119.1760	0.053	3	119.0279	0.202	7	119.0279	0.202	7	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:2:1:	3:3:2:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a])	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|Cl<1>,1|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]N[6a]H)(N[5a]N[5a]){2|C<3>}	H(C[6a]N[5a,6a]N[6a])	118.1430	0.000	1	118.1430	0.000	1	119.0279	0.202	7	119.0279	0.202	7	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:2:1:	3:3:2:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a])	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(N[6a]C[6a])(H){1|C<3>,1|N<3>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]N[6a]H)(N[5a]C[5a]){2|C<3>}	H(C[6a]N[5a,6a]N[6a])	119.2280	0.000	1	119.2280	0.000	1	119.0279	0.202	7	119.0279	0.202	7	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:2:1:	3:3:3:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]H)	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[5a,6a])(H){1|N<2>,1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]C)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|N<2>}	H(C[6a]N[5a,6a]N[6a])	118.2100	0.000	1	118.2100	0.000	1	118.5971	0.095	17	118.5971	0.095	17	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:2:1:	3:3:3:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[5a,6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|C<3>,1|H<1>,1|N<2>}	H(C[6a]N[5a,6a]N[6a])	118.2920	0.119	2	118.4720	0.055	4	118.5971	0.095	17	118.5971	0.095	17	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:2:1:	3:3:3:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[5a,6a])(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H)	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[5a,6a])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[5a])(C[5a]C[5a]H)(C[6a]N[6a]H){1|H<1>,2|C<3>}	H(C[6a]N[5a,6a]N[6a])	118.6520	0.141	2	118.4720	0.055	4	118.5971	0.095	17	118.5971	0.095	17	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:2:1:	3:3:3:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]N[6a]H)	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H){5|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]N[6a]H){1|H<1>,3|C<3>}	H(C[6a]N[5a,6a]N[6a])	118.2170	0.000	1	118.2170	0.000	1	118.5971	0.095	17	118.5971	0.095	17	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:2:1:	3:3:3:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]H)	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a,6a])(H){1|N<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]N[6a]H){5|C<3>}	H(C[6a]N[5a,6a]N[6a])	118.3005	0.070	2	118.3005	0.005	2	118.5971	0.095	17	118.5971	0.095	17	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:2:1:	3:3:3:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]H)	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){5|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]H){1|Br<1>,1|C<3>,2|H<1>}	H(C[6a]N[5a,6a]N[6a])	118.9110	0.000	1	118.7790	0.027	3	118.5971	0.095	17	118.5971	0.095	17	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:2:1:	3:3:3:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]H)	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){5|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]N[6a]H){1|C<3>,3|H<1>}	H(C[6a]N[5a,6a]N[6a])	118.7130	0.168	2	118.7790	0.027	3	118.5971	0.095	17	118.5971	0.095	17	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:2:1:	3:3:3:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]H)	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|Cl<1>,1|S<4>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]H){1|C<3>,3|H<1>}	H(C[6a]N[5a,6a]N[6a])	118.6630	0.000	1	118.9225	0.135	2	118.5971	0.095	17	118.5971	0.095	17	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:2:1:	3:3:3:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]H)	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|Cl<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]N[6a]H){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]N[5a,6a]N[6a])	119.1820	0.000	1	118.9225	0.135	2	118.5971	0.095	17	118.5971	0.095	17	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:2:1:	3:3:3:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]N[6a]H)	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|I<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]I)(C[6a]N[6a]H){1|C<3>,1|I<1>,2|H<1>}	H(C[6a]N[5a,6a]N[6a])	118.4100	0.000	1	118.4100	0.000	1	118.5971	0.095	17	118.5971	0.095	17	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:2:1:	3:3:3:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]H)	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|N<3>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]N[6a]H){1|C<3>,1|I<1>,2|H<1>}	H(C[6a]N[5a,6a]N[6a])	118.8000	0.000	1	118.8000	0.000	1	118.5971	0.095	17	118.5971	0.095	17	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:2:1:	3:3:3:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]H)	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(N[6a]C[6a])(H){1|N<3>,2|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]N[6a]H){2|C<3>}	H(C[6a]N[5a,6a]N[6a])	118.9215	0.162	2	118.9215	0.026	2	118.5971	0.095	17	118.5971	0.095	17	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:2:1:	3:4:3:	3:	N[5a,6a]-3:N[6a]-2:H-1:	C[5a,6a]-3:B[5,5a]-4:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5,5a])(N[6a]C[6a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5,5a]N[5a]O[5]2)(C[6a]N[6a]H)	H(C[6a]N[5a,6a]N[6a])	C[6a](N[5a,6a]C[5a,6a]B[5,5a])(N[6a]C[6a])(H){1|H<1>,1|N<4>,2|C<3>,2|O<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5,5a]N[5a]O[5]2)(C[6a]N[6a]H){1|B<3>,2|C<3>,2|C<4>,2|H<1>}	H(C[6a]N[5a,6a]N[6a])	116.9450	0.000	1	116.9450	0.000	1	116.9450	0.000	1	116.9450	0.000	1	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:2:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a,6a]H)(H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.6270	0.000	1	120.6270	0.000	1	120.8175	0.028	4	120.8175	0.028	4	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:2:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:N[5a]-2:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(C[6a]C[6a]H){1|H<1>,1|O<2>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.8810	0.131	3	120.8810	0.017	3	120.8175	0.028	4	120.8175	0.028	4	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[5,6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[5,6a]H)(N[5a]C[5a])	H(C[6a]N[5a,6a]C[5,6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[5,6a]C[5,6a]S[5])(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|O<1>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[5,6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,1|S<2>,1|S<4>}	H(C[6a]N[5a,6a]C[5,6a])	122.4060	0.000	1	122.4060	0.000	1	122.4060	0.000	1	120.3702	4.513	50	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]2)(H){1|N<2>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.4070	0.000	1	120.4070	0.000	1	120.3286	4.518	49	120.3702	4.513	50	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.1050	0.000	1	119.7085	0.314	2	120.3286	4.518	49	120.3702	4.513	50	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	119.3120	0.000	1	119.7085	0.314	2	120.3286	4.518	49	120.3702	4.513	50	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]N[5a,6a]C[6a])	121.4030	0.000	1	121.4067	0.001	3	120.3286	4.518	49	120.3702	4.513	50	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	121.4085	0.053	2	121.4067	0.001	3	120.3286	4.518	49	120.3702	4.513	50	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.1820	0.000	1	120.2483	0.010	3	120.3286	4.518	49	120.3702	4.513	50	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]C)(H){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.2815	0.114	2	120.2483	0.010	3	120.3286	4.518	49	120.3702	4.513	50	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]Cl)(H){1|C<3>,1|H<1>,2|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|Cl<1>,1|C<3>,1|O<2>}	H(C[6a]N[5a,6a]C[6a])	122.4030	0.481	2	122.4030	0.231	2	120.3286	4.518	49	120.3702	4.513	50	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	112.2430	0.000	1	119.2397	8.844	14	120.3286	4.518	49	120.3702	4.513	50	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|H<1>,2|S<2>}	H(C[6a]N[5a,6a]C[6a])	114.7960	0.000	1	119.2397	8.844	14	120.3286	4.518	49	120.3702	4.513	50	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	119.2117	3.137	4	119.2397	8.844	14	120.3286	4.518	49	120.3702	4.513	50	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|F<1>,2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.7200	0.000	1	119.2397	8.844	14	120.3286	4.518	49	120.3702	4.513	50	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.5360	0.000	2	119.2397	8.844	14	120.3286	4.518	49	120.3702	4.513	50	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.7595	0.067	2	119.2397	8.844	14	120.3286	4.518	49	120.3702	4.513	50	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.7710	0.000	1	119.2397	8.844	14	120.3286	4.518	49	120.3702	4.513	50	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|C<3>,3|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.7070	0.000	1	119.2397	8.844	14	120.3286	4.518	49	120.3702	4.513	50	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.6810	0.000	1	119.2397	8.844	14	120.3286	4.518	49	120.3702	4.513	50	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,3|H<1>}	H(C[6a]N[5a,6a]C[6a])	121.3155	0.241	2	121.1539	0.046	7	120.3286	4.518	49	120.3702	4.513	50	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	121.1245	0.202	4	121.1539	0.046	7	120.3286	4.518	49	120.3702	4.513	50	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|O<1>,2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.9480	0.000	1	121.1539	0.046	7	120.3286	4.518	49	120.3702	4.513	50	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	H(C[6a]N[5a,6a]C[6a])	120.7155	0.275	2	120.9610	0.057	8	120.3286	4.518	49	120.3702	4.513	50	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<2>,1|H<1>,2|C<3>}	H(C[6a]N[5a,6a]C[6a])	121.0428	0.182	6	120.9610	0.057	8	120.3286	4.518	49	120.3702	4.513	50	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<2>,1|C<3>,1|H<1>}	H(C[6a]N[5a,6a]C[6a])	121.3930	0.000	1	121.3350	0.007	2	120.3286	4.518	49	120.3702	4.513	50	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	121.2770	0.000	1	121.3350	0.007	2	120.3286	4.518	49	120.3702	4.513	50	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	121.4210	0.000	1	120.7846	3.871	5	120.3286	4.518	49	120.3702	4.513	50	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,1|H<1>,1|S<4>}	H(C[6a]N[5a,6a]C[6a])	121.8530	0.000	1	120.7846	3.871	5	120.3286	4.518	49	120.3702	4.513	50	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	117.2760	0.000	1	120.7846	3.871	5	120.3286	4.518	49	120.3702	4.513	50	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,2|C<3>}	H(C[6a]N[5a,6a]C[6a])	121.7010	0.000	1	120.7846	3.871	5	120.3286	4.518	49	120.3702	4.513	50	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){2|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]C[5a]){1|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	121.6720	0.000	1	120.7846	3.871	5	120.3286	4.518	49	120.3702	4.513	50	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a])	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(H){1|H<1>,3|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[6a]C[6a]H)(N[5a]N[5a]){1|C<3>,1|H<1>}	H(C[6a]N[5a,6a]C[6a])	113.6910	0.000	1	113.6910	0.000	1	120.3286	4.518	49	120.3702	4.513	50	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:2:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[6a]-3:N[5a]-2:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]I)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a])	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)(N[5a]C[5a]){1|H<1>,1|I<1>,2|C<3>}	H(C[6a]N[5a,6a]C[6a])	121.1030	0.000	1	121.1030	0.000	1	120.3286	4.518	49	120.3702	4.513	50	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	C[6,6a]-3:N[5a,6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](C[6,6a]C[6,6a]C[6])(N[5a,6a]C[5a,6a]2)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H)	H(C[6a]N[5a,6a]C[6,6a])	C[6a](C[6,6a]C[6,6a]C[6])(N[5a,6a]C[5a,6a]2)(H){2|C<3>,2|C<4>,2|H<1>,2|N<2>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]N[5a]N[6a])(C[6a]C[6,6a]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6,6a])	120.7800	0.000	1	120.7800	0.000	1	120.7800	0.000	1	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	B[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]B[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]B[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6a](B[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>}	H(C[6a]N[5a,6a]C[6a])	116.4410	0.482	2	117.7045	3.954	4	118.3208	4.864	5	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	B[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]B[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]B[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.5870	0.000	1	117.7045	3.954	4	118.3208	4.864	5	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	B[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]B[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]B[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6a](B[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>}	H(C[6a]N[5a,6a]C[6a])	117.3490	0.000	1	117.7045	3.954	4	118.3208	4.864	5	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	B[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]B[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]B[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,2|C<3>,2|H<1>}	N[5a,6a](B[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.7860	0.000	1	120.7860	0.000	1	118.3208	4.864	5	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	B[5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	N[5a,6a](B[5a]B[5x3,5x5,20x6]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|B<6>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6a](B[5a]B[5x3,5x5,20x6]N[5a,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<6>,2|H<1>,3|C<3>,4|B<6>}	H(C[6a]N[5a,6a]C[6a])	119.2450	0.083	2	119.2450	0.007	2	119.2450	0.007	2	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.4570	0.000	1	120.4655	0.000	2	120.4655	0.000	2	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,5a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,5a]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,5a]C[5a,5a]N[5a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.4740	0.000	1	120.4655	0.000	2	120.4655	0.000	2	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6]C[5a,6]C[5,6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.5255	0.066	2	120.5255	0.004	2	120.4312	0.076	5	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6]C[5a,6]C[6,6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]N[5a,6a]C[6a])	119.9450	0.000	1	119.9450	0.000	1	120.4312	0.076	5	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|O<1>,2|H<1>,4|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.5860	0.000	1	120.5860	0.000	1	120.4312	0.076	5	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6]C[5a,6]C[6])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|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>}	H(C[6a]N[5a,6a]C[6a])	120.5740	0.000	1	120.5740	0.000	1	120.4312	0.076	5	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[6a])(C[6a]C[6a]H){2|H<1>,5|C<3>}	H(C[6a]N[5a,6a]C[6a])	119.3690	0.107	3	119.3690	0.011	3	118.9255	1.803	6	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]Cl)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	119.6230	0.018	2	119.6230	0.000	2	118.9255	1.803	6	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]B[5a]N[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]B[5a]N[5a])(C[6a]C[6a]H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	H(C[6a]N[5a,6a]C[6a])	116.2000	0.000	1	116.2000	0.000	1	118.9255	1.803	6	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H){1|C<4>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6a]N[5a,6a]C[6a])	119.8670	0.000	1	119.8670	0.000	1	119.9275	0.007	2	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a,6])(C[6a]C[6a,6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a,6]C[5a,6]C[6])(C[6a]C[6a]H){1|O<2>,3|C<3>,3|H<1>}	H(C[6a]N[5a,6a]C[6a])	119.9880	0.000	1	119.9880	0.000	1	119.9275	0.007	2	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]C)(H){5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	H(C[6a]N[5a,6a]C[6a])	117.4330	0.000	1	117.4330	0.000	1	119.9912	0.904	46	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.7615	0.473	2	119.2680	6.804	3	119.9912	0.904	46	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	116.2810	0.000	1	119.2680	6.804	3	119.9912	0.904	46	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|N<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6a]N[5a,6a]C[6a])	119.9260	0.222	2	120.1583	0.046	6	119.9912	0.904	46	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|N<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a,6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.2745	0.081	4	120.1583	0.046	6	119.9912	0.904	46	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a,6a]H)(H){1|N<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a,6a]C[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.5230	0.000	1	120.5230	0.000	1	119.9912	0.904	46	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,5|C<3>}	H(C[6a]N[5a,6a]C[6a])	119.7270	0.161	2	119.7270	0.026	2	119.9912	0.904	46	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]C)(H){1|N<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|H<1>,2|C<4>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	119.7130	0.000	1	119.7130	0.000	1	119.9912	0.904	46	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<3>,2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	118.1830	0.000	1	118.1830	0.000	1	119.9912	0.904	46	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.1610	0.192	3	120.1610	0.037	3	119.9912	0.904	46	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.1537	0.257	3	119.8855	0.848	10	119.9912	0.904	46	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.0300	0.017	2	119.8855	0.848	10	119.9912	0.904	46	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|Cl<1>,2|H<1>,4|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.2200	0.000	1	119.8855	0.848	10	119.9912	0.904	46	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,3|C<3>,3|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.4910	0.000	1	119.8855	0.848	10	119.9912	0.904	46	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]N[5a,6a]C[6a])	117.3140	0.000	1	119.8855	0.848	10	119.9912	0.904	46	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.1545	0.062	2	119.8855	0.848	10	119.9912	0.904	46	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.9300	0.000	1	120.5693	0.048	12	119.9912	0.904	46	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.6688	0.109	5	120.5693	0.048	12	119.9912	0.904	46	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.5760	0.000	1	120.5693	0.048	12	119.9912	0.904	46	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.3465	0.188	4	120.5693	0.048	12	119.9912	0.904	46	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.5960	0.000	1	120.5693	0.048	12	119.9912	0.904	46	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.0550	0.000	1	120.0550	0.000	1	119.9912	0.904	46	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.2040	0.000	1	120.4390	0.110	2	119.9912	0.904	46	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]C[5a,6a]N[6a])(C[5a,6a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.6740	0.000	1	120.4390	0.110	2	119.9912	0.904	46	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]C)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]N[5a,6a]C)(H){5|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[5a])(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,2|C<4>}	H(C[6a]N[5a,6a]C[6a])	119.0750	0.144	2	119.0750	0.021	2	119.9912	0.904	46	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]2)(C[6a]N[6a]C)(H){4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a,6a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.2830	0.000	1	120.2830	0.000	1	119.9912	0.904	46	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C)(H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	119.4040	0.000	1	119.4040	0.000	1	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<2>,1|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	119.9140	0.000	1	119.9315	0.038	6	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	119.9860	0.000	1	119.9315	0.038	6	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]N[5a,6a]C[6a])	119.9340	0.000	1	119.9315	0.038	6	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]N[5a,6a]C[6a])	119.5820	0.000	1	119.9315	0.038	6	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){5|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.0865	0.122	2	119.9315	0.038	6	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,4|C<3>}	H(C[6a]N[5a,6a]C[6a])	119.9930	0.000	1	120.0680	0.011	2	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]C[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.1430	0.000	1	120.0680	0.011	2	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.2280	0.000	1	120.2280	0.000	1	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H)	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a,6a]H)(H){1|N<2>,1|S<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a,6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.3780	0.000	1	120.3780	0.000	1	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,6|C<3>}	H(C[6a]N[5a,6a]C[6a])	119.5050	0.000	1	119.6890	0.068	2	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|H<1>,6|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){7|C<3>}	H(C[6a]N[5a,6a]C[6a])	119.8730	0.000	1	119.6890	0.068	2	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	119.9868	0.114	4	120.0706	0.045	5	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]2)(H){1|N<2>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){4|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.4060	0.000	1	120.0706	0.045	5	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|Br<1>,1|N<2>,2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	121.0870	0.000	1	121.0870	0.000	1	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Br<1>,1|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.6550	0.000	1	120.6550	0.000	1	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.9900	0.000	1	121.3846	0.576	8	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	H(C[6a]N[5a,6a]C[6a])	121.8047	0.054	3	121.3846	0.576	8	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|H<1>,2|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.4560	1.027	2	121.3846	0.576	8	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]Br)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|N<3>,2|C<3>}	H(C[6a]N[5a,6a]C[6a])	121.8805	0.261	2	121.3846	0.576	8	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	119.0130	0.000	1	119.6307	0.391	3	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	119.6160	0.000	1	119.6307	0.391	3	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.2630	0.000	1	119.6307	0.391	3	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.2690	0.000	1	120.2690	0.000	1	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,5|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.1850	0.035	2	120.1850	0.001	2	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<2>,1|H<1>,2|C<3>}	H(C[6a]N[5a,6a]C[6a])	115.2737	0.170	3	117.3094	7.909	5	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]N[5a,6a]C[6a])	119.8640	0.000	1	117.3094	7.909	5	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|C<4>}	H(C[6a]N[5a,6a]C[6a])	120.8620	0.000	1	117.3094	7.909	5	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.0723	0.179	3	120.0723	0.032	3	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]C)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.1940	0.000	1	120.1940	0.000	1	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6])(C[6a]C[6a]H){1|F<1>,1|N<3>,2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	121.3630	0.006	2	121.3630	0.000	2	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]F)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|F<1>,1|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	121.9530	0.000	1	121.9530	0.000	1	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.3990	0.000	1	120.3990	0.000	1	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5,5a]C[6a])(C[5a]C[5,5a]H)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.2620	0.000	1	120.2620	0.000	1	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|O<2>,2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	115.7120	0.000	1	117.9285	9.826	2	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.1450	0.000	1	117.9285	9.826	2	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]N[5a,6a]C[6a])	119.7660	0.000	1	120.1577	0.117	3	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.3535	0.067	2	120.1577	0.117	3	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|F<1>,2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.4150	0.182	2	120.3366	0.677	37	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<2>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.6375	0.395	2	120.3366	0.677	37	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.1233	0.177	3	120.3366	0.677	37	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.4460	0.000	1	120.3366	0.677	37	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|P<4>,3|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.2370	0.124	2	120.3366	0.677	37	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	119.7500	0.000	1	120.3366	0.677	37	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.2820	0.177	5	120.3366	0.677	37	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|S<2>,2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.7020	0.000	1	120.3366	0.677	37	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.8989	1.494	9	120.3366	0.677	37	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.3510	0.000	1	120.3366	0.677	37	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]N[5a,6a]C[6a])	119.7100	0.047	2	120.3366	0.677	37	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	119.8644	0.174	5	120.3366	0.677	37	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){5|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.1280	0.000	1	120.3366	0.677	37	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){5|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]N[5a,6a]C[6a])	119.7870	0.000	1	120.3366	0.677	37	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){5|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.0990	0.000	1	120.3366	0.677	37	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]N[5a,6a]C[6a])	119.7780	0.000	1	119.5490	2.580	21	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	117.8807	3.758	3	119.5490	2.580	21	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.4600	0.000	1	119.5490	2.580	21	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,2|H<1>,4|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.2350	0.000	1	119.5490	2.580	21	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]N[5a,6a]C[6a])	119.7680	0.093	2	119.5490	2.580	21	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|I<1>,5|C<3>}	H(C[6a]N[5a,6a]C[6a])	119.6860	0.000	1	119.5490	2.580	21	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.2907	0.256	3	119.5490	2.580	21	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	116.4290	0.000	1	119.5490	2.580	21	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|N<2>,2|H<1>,4|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.0710	0.000	1	119.5490	2.580	21	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>}	H(C[6a]N[5a,6a]C[6a])	119.8175	0.212	4	119.5490	2.580	21	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<3>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<2>,2|H<1>,4|C<3>}	H(C[6a]N[5a,6a]C[6a])	119.9220	0.000	1	119.5490	2.580	21	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){5|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,3|C<3>,3|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.3140	0.068	2	119.5490	2.580	21	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.6910	0.000	1	120.6910	0.000	1	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|B<3>,1|C<3>,3|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.0620	0.211	2	120.2454	0.045	5	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){2|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.3677	0.105	3	120.2454	0.045	5	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,4|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.2560	0.000	1	120.2560	0.000	1	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){1|C<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.9740	0.000	1	120.9740	0.000	1	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|S<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.0860	0.000	1	120.0860	0.000	1	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<2>,1|N<2>,2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.5840	0.000	1	120.4476	0.145	12	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.4068	0.181	4	120.4476	0.145	12	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.2560	0.000	1	120.4476	0.145	12	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.8660	0.041	2	120.4476	0.145	12	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,3|H<1>}	H(C[6a]N[5a,6a]C[6a])	119.5670	0.000	1	120.4476	0.145	12	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.6040	0.000	1	120.4476	0.145	12	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.5005	0.531	2	120.4476	0.145	12	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.3925	0.098	2	120.3800	0.005	3	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,1|I<1>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.3550	0.000	1	120.3800	0.005	3	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]N[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.4830	0.000	1	120.4830	0.000	1	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|N<2>,1|O<1>,2|C<3>,3|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.4340	0.000	2	120.4340	0.000	2	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.6050	0.000	1	119.9615	2.239	32	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.7060	0.000	1	119.9615	2.239	32	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.8780	0.000	1	119.9615	2.239	32	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.3925	0.132	4	119.9615	2.239	32	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	119.8690	0.000	1	119.9615	2.239	32	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	117.9203	1.159	3	119.9615	2.239	32	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<2>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	117.0180	0.000	1	119.9615	2.239	32	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,3|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.4590	0.000	1	119.9615	2.239	32	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.6095	0.098	2	119.9615	2.239	32	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|Se<2>,1|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.4550	0.000	1	119.9615	2.239	32	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.6596	0.249	7	119.9615	2.239	32	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.7630	0.000	1	119.9615	2.239	32	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|O<1>,3|H<1>}	H(C[6a]N[5a,6a]C[6a])	119.4857	2.427	7	119.9615	2.239	32	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|C<4>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.4470	0.000	1	119.9615	2.239	32	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[5])(C[6a]C[6a]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.8295	0.882	2	120.8295	0.778	2	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|Br<1>,2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.4400	0.088	2	120.4603	0.034	15	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.8185	0.076	2	120.4603	0.034	15	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.3736	0.142	8	120.4603	0.034	15	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){3|C<3>,3|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.4663	0.043	3	120.4603	0.034	15	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|C<4>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.8320	0.000	1	120.8320	0.000	1	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.2260	0.000	1	119.8922	2.084	15	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.2930	0.000	1	119.8922	2.084	15	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.7590	0.000	1	119.8922	2.084	15	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.0310	0.000	1	119.8922	2.084	15	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,3|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.2690	0.057	2	119.8922	2.084	15	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.5570	0.000	1	119.8922	2.084	15	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	119.4974	1.933	8	119.8922	2.084	15	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]I)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]N[5a,6a]C[6a])	121.0490	0.516	2	121.0490	0.266	2	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.6880	0.000	1	119.9394	3.927	16	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<2>,1|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.7760	0.000	1	119.9394	3.927	16	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.9720	0.000	1	119.9394	3.927	16	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.6173	0.234	9	119.9394	3.927	16	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	117.7595	3.316	4	119.9394	3.927	16	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N[5a])(C[6a]C[6a]H){2|H<1>,4|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.6450	0.000	1	120.6450	0.000	1	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<4>,1|H<1>,2|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.9015	0.192	2	120.9015	0.037	2	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]P)(C[6a]C[6a]H){1|Cl<1>,1|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.7910	0.000	1	120.7910	0.000	1	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.5330	0.000	1	120.6554	0.031	10	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.6060	0.126	6	120.6554	0.031	10	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|C<3>,1|S<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.9020	0.000	1	120.6554	0.031	10	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<2>,1|S<4>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.7415	0.305	2	120.6554	0.031	10	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|Se<2>,1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Se)(C[6a]C[6a]H){2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.4935	0.305	6	120.4935	0.093	6	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){1|N<2>,2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.8240	0.000	1	120.7305	0.017	2	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[6a]N[5a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.6370	0.000	1	120.7305	0.017	2	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,2|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.6420	0.141	2	120.6420	0.020	2	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]O)(C[6a]C[6a]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	121.0733	0.062	3	121.0733	0.004	3	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<4>,1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.2810	0.000	1	120.1750	0.013	3	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]N[5a,6a]C[6a])(C[5a]C[5a,6a]C)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.1220	0.092	2	120.1750	0.013	3	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]2)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]2)(C[6a]C[6a]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.8650	0.000	1	120.8650	0.000	1	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]N[5a,6a]C[6a])	121.1485	0.118	2	121.1317	0.008	3	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	121.0980	0.000	1	121.1317	0.008	3	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.6510	0.000	1	120.8055	0.048	2	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|H<1>,2|C<3>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]C[6a])(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.9600	0.000	1	120.8055	0.048	2	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,2|H<1>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.9760	0.277	3	120.9760	0.077	3	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]N[5a,6a]C[6a])	121.1860	0.000	1	121.3540	0.056	2	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(H){1|C<3>,1|H<1>,3|N<2>}	N[5a,6a](C[5a,6a]N[5a]N[6a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|H<1>,2|C<3>}	H(C[6a]N[5a,6a]C[6a])	121.5220	0.000	1	121.3540	0.056	2	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]I)(H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]S)(C[6a]C[6a]H){1|H<1>,1|I<1>,2|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.6700	0.000	1	120.6700	0.000	1	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|C<3>,1|H<1>,2|N<3>}	H(C[6a]N[5a,6a]C[6a])	121.3050	0.000	1	121.2255	0.013	2	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|H<1>,1|N<2>,3|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]C)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]N[5a,6a]C[6a])	121.1460	0.000	1	121.2255	0.013	2	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N)(H){1|N<2>,2|C<3>,2|H<1>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	H(C[6a]N[5a,6a]C[6a])	121.3760	0.000	1	121.3760	0.000	1	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[5a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[5a])(H){1|N<2>,2|H<1>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<3>,2|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.9175	0.265	2	120.9175	0.070	2	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]N[6a])(H){1|H<1>,1|N<2>,4|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,2|C<3>}	H(C[6a]N[5a,6a]C[6a])	120.9625	0.105	2	120.9625	0.011	2	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O[6a])(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]O[6a])(H){1|H<1>,5|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.4020	0.000	1	120.4020	0.000	1	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]C)(H){1|C<4>,1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.0200	0.000	1	120.0200	0.000	1	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|Cl<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]Cl)(C[6a]C[6a]H){1|N<2>,3|H<1>}	H(C[6a]N[5a,6a]C[6a])	121.4010	0.000	1	121.4010	0.000	1	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|H<1>,1|N<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	H(C[6a]N[5a,6a]C[6a])	121.0870	0.000	1	121.0870	0.000	1	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|N<2>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]N)(C[6a]C[6a]H){1|C<3>,1|N<2>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	121.1875	0.276	2	121.1875	0.076	2	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<3>,1|N<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	117.7590	3.434	2	117.3167	6.482	3	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]C[5a]O)(C[6a]C[6a]H){1|C<4>,1|N<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	116.4320	0.000	1	117.3167	6.482	3	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H)	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]N[6a]H)(H){1|C<3>,1|H<1>,2|N<2>}	N[5a,6a](C[5a,6a]C[6a]N[5a])(C[5a]N[5a]H)(C[6a]C[6a]H){1|H<1>,1|N<2>,1|N<3>}	H(C[6a]N[5a,6a]C[6a])	122.3000	0.000	1	122.3000	0.000	1	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:C[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]O[6a]C)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]O[6a]C)(H){1|H<1>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(C[5a]C[5a]H)(C[6a]C[6a]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.4620	0.000	1	120.4620	0.000	1	120.2178	1.591	281	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:Ge[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a,6a]Br)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a,6a]Br)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	119.2955	0.086	2	119.2955	0.007	2	119.2962	0.015	6	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:Ge[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a,6a]Cl)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(Ge[5a]N[5a,6a]Cl)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	119.2510	0.071	2	119.2510	0.005	2	119.2962	0.015	6	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:Ge[5a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(Ge[5a]N[5a]Cl)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]Ge[5a])(C[6a]C[6a]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(Ge[5a]N[5a]Cl)(C[6a]C[6a]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	119.3420	0.233	2	119.3420	0.054	2	119.2962	0.015	6	120.1234	1.549	356	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:4:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5,5a]-4:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5,5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5,5a]N[5a]O[5]2)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]B[5,5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5,5a]N[5a]O[5]2)(C[6a]C[6a]H){2|C<4>,2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	119.1630	0.000	1	119.1630	0.000	1	119.1630	0.000	1	119.5181	1.732	29	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:4:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]C[5]N)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	N[5a,6a](C[5a,6a]C[5a,6]C[6a])(B[5a]N[5a,6]C[5]N)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	112.7830	0.000	1	112.7830	0.000	1	119.5308	1.791	28	119.5181	1.732	29	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:4:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	119.7780	0.030	2	119.7768	0.001	4	119.5308	1.791	28	119.5181	1.732	29	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:4:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]C)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	119.7755	0.057	2	119.7768	0.001	4	119.5308	1.791	28	119.5181	1.732	29	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:4:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]N)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	119.7820	0.220	9	119.7820	0.048	9	119.5308	1.791	28	119.5181	1.732	29	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:4:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]O)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]C[5]O)(C[6a]C[6a]H){1|Fe<10>,2|C<4>,2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	119.5615	0.086	4	119.5615	0.007	4	119.5308	1.791	28	119.5181	1.732	29	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:4:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]Cl2)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	N[5a,6a](C[5a,6a]C[5a,6a]C[6a])(B[5a]N[5a,6a]Cl2)(C[6a]C[6a]H){2|H<1>,3|C<3>}	H(C[6a]N[5a,6a]C[6a])	119.7968	0.257	4	119.7968	0.066	4	119.5308	1.791	28	119.5181	1.732	29	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:4:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]C[6a]2N[5a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,4|C<3>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]C[6a]2N[5a])(C[6a]C[6a]H){3|H<1>,6|C<3>}	H(C[6a]N[5a,6a]C[6a])	119.8460	0.046	3	119.8460	0.002	3	119.5308	1.791	28	119.5181	1.732	29	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:4:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]N[5a]CC)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]N[5a]CC)(C[6a]C[6a]H){2|C<3>,3|H<1>}	H(C[6a]N[5a,6a]C[6a])	119.8770	0.342	2	119.8770	0.117	2	119.5308	1.791	28	119.5181	1.732	29	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	3:4:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	C[5a,6a]-3:B[5a]-4:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H)	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]N[5a]FF)(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]C[5a,6a]B[5a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	N[5a,6a](C[5a,6a]C[5a]C[6a])(B[5a]N[5a]FF)(C[6a]C[6a]H){1|B<4>,2|C<3>,2|H<1>}	H(C[6a]N[5a,6a]C[6a])	120.2100	0.000	1	120.2100	0.000	1	119.5308	1.791	28	119.5181	1.732	29	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	4:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]2)(H)	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]2)(H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|H<1>,4|C<3>,4|C<4>}	H(C[6a]N[5a,6a]C[6a])	118.7335	0.083	2	118.7335	0.007	2	118.8978	0.084	14	118.8978	0.084	14	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	4:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]C)(H)	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]C)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){1|C<2>,3|C<3>,3|H<1>,4|C<4>}	H(C[6a]N[5a,6a]C[6a])	119.1155	0.006	2	119.1155	0.000	2	118.8978	0.084	14	118.8978	0.084	14	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	4:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|C<3>,4|C<4>,4|H<1>}	H(C[6a]N[5a,6a]C[6a])	119.3330	0.008	2	118.8871	0.105	10	118.8978	0.084	14	118.8978	0.084	14	120.0055	1.911	478	120.0269	1.967	570
643	813	951	0:SP2_SP-NON_SP2	C[6a]	N[5a,6a]	H	3:3:1:	4:3:3:	3:	N[5a,6a]-3:C[6a]-3:H-1:	B[5a,6,6]-4:C[5a,6a]-3:C[6a]-3:	C[6a]-3:	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]H)(H)	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H)	H(C[6a]N[5a,6a]C[6a])	C[6a](N[5a,6a]B[5a,6,6]C[5a,6a])(C[6a]C[6a]H)(H){1|N<3>,2|C<4>,3|C<3>}	N[5a,6a](B[5a,6,6]N[5a,6a]C[6,6]2)(C[5a,6a]C[5a,6a]C[6a])(C[6a]C[6a]H){3|C<3>,4|C<4>,4|H<1>}	H(C[6a]N[5a,6a]C[6a])	118.7756	0.252	8	118.8871	0.105	10	118.8978	0.084	14	118.8978	0.084	14	120.0055	1.911	478	120.0269	1.967	570