956	490	654	0:SP2_SP3_SP3	N	C	B[3,3]	4:4:4:	3:4:4:1:	3:3:5:3:	B[3,3]-4:C-4:C-4:	N-3:C-4:C-4:H-1:	N[3]-3:N[3]-3:Ge[3,3]-5:N-3:	N(B[3,3]Ge[3,3]N[3]2)(CCCH)2	C(NB[3,3]C)(CH3)2(H)	B[3,3](N[3]Ge[3,3]C[6a])2(Ge[3,3]N[3]2SS)(NCC)	N(B[3,3]Ge[3,3]N[3]2)(CCCH)2	C(NB[3,3]C)(CH3)2(H)	B[3,3](N[3]Ge[3,3]C[6a])2(Ge[3,3]N[3]2SS)(NCC){4|C<3>}	122.2860	5.480	2	122.2860	30.031	2	122.2860	30.031	2	122.2860	30.031	2	122.5030	14.723	4	122.5030	14.723	4
956	490	654	0:SP2_SP3_SP3	N	C	B[3,3]	4:4:4:	3:4:4:1:	5:3:3:3:	B[3,3]-4:C-4:C-4:	N-3:C-4:C-4:H-1:	Ge[3,3,5]-5:N[3]-3:N[3]-3:N-3:	N(B[3,3]Ge[3,3,5]N[3]2)(CCCH)2	C(NB[3,3]C)(CH3)2(H)	B[3,3](Ge[3,3,5]C[5]2N[3]2)(N[3]Ge[3,3,5]C[6a])2(NCC)	N(B[3,3]Ge[3,3,5]N[3]2)(CCCH)2	C(NB[3,3]C)(CH3)2(H)	B[3,3](Ge[3,3,5]C[5]2N[3]2)(N[3]Ge[3,3,5]C[6a])2(NCC){4|H<1>,6|C<3>}	122.7200	3.735	2	122.7200	13.950	2	122.7200	13.950	2	122.7200	13.950	2	122.5030	14.723	4	122.5030	14.723	4
956	490	654	0:SP3_SP3_SP3	N	C	B[3,3]	4:4:4:	3:4:4:1:	3:3:5:3:	B[3,3]-4:C-4:C-4:	N-3:C-4:C-4:H-1:	N[3]-3:N[3]-3:Ge[3,3]-5:N-3:	N(B[3,3]Ge[3,3]N[3]2)(CCCH)2	C(NB[3,3]C)(CH3)2(H)	B[3,3](N[3]Ge[3,3]C[6a])2(Ge[3,3]N[3]2CC)(NCC)	N(B[3,3]Ge[3,3]N[3]2)(CCCH)2	C(NB[3,3]C)(CH3)2(H)	B[3,3](N[3]Ge[3,3]C[6a])2(Ge[3,3]N[3]2CC)(NCC){4|C<3>}	122.4355	4.658	2	122.4355	21.694	2	122.2332	15.933	8	122.2332	15.933	8	122.2993	11.765	30	122.2993	11.765	30
956	490	654	0:SP3_SP3_SP3	N	C	B[3,3]	4:4:4:	3:4:4:1:	3:3:5:3:	B[3,3]-4:C-4:C-4:	N-3:C-4:C-4:H-1:	N[3]-3:N[3]-3:Ge[3,3]-5:N-3:	N(B[3,3]Ge[3,3]N[3]2)(CCCH)2	C(NB[3,3]C)(CH3)2(H)	B[3,3](N[3]Ge[3,3]C[6a])2(Ge[3,3]N[3]2CI)(NCC)	N(B[3,3]Ge[3,3]N[3]2)(CCCH)2	C(NB[3,3]C)(CH3)2(H)	B[3,3](N[3]Ge[3,3]C[6a])2(Ge[3,3]N[3]2CI)(NCC){4|C<3>}	121.9795	5.987	2	121.9795	35.845	2	122.2332	15.933	8	122.2332	15.933	8	122.2993	11.765	30	122.2993	11.765	30
956	490	654	0:SP3_SP3_SP3	N	C	B[3,3]	4:4:4:	3:4:4:1:	3:3:5:3:	B[3,3]-4:C-4:C-4:	N-3:C-4:C-4:H-1:	N[3]-3:N[3]-3:Ge[3,3]-5:N-3:	N(B[3,3]Ge[3,3]N[3]2)(CCCH)2	C(NB[3,3]C)(CH3)2(H)	B[3,3](N[3]Ge[3,3]C[6a])2(Ge[3,3]N[3]2II)(NCC)	N(B[3,3]Ge[3,3]N[3]2)(CCCH)2	C(NB[3,3]C)(CH3)2(H)	B[3,3](N[3]Ge[3,3]C[6a])2(Ge[3,3]N[3]2II)(NCC){4|C<3>}	122.2040	5.689	2	122.2040	32.369	2	122.2332	15.933	8	122.2332	15.933	8	122.2993	11.765	30	122.2993	11.765	30
956	490	654	0:SP3_SP3_SP3	N	C	B[3,3]	4:4:4:	3:4:4:1:	3:3:5:3:	B[3,3]-4:C-4:C-4:	N-3:C-4:C-4:H-1:	N[3]-3:N[3]-3:Ge[3,3]-5:N-3:	N(B[3,3]Ge[3,3]N[3]2)(CCCH)2	C(NB[3,3]C)(CH3)2(H)	B[3,3](N[3]Ge[3,3]C[6a])2(Ge[3,3]N[3]2Te2)(NCC)	N(B[3,3]Ge[3,3]N[3]2)(CCCH)2	C(NB[3,3]C)(CH3)2(H)	B[3,3](N[3]Ge[3,3]C[6a])2(Ge[3,3]N[3]2Te2)(NCC){4|C<3>}	122.3140	4.626	2	122.3140	21.399	2	122.2332	15.933	8	122.2332	15.933	8	122.2993	11.765	30	122.2993	11.765	30
956	490	654	0:SP3_SP3_SP3	N	C	B[3,3]	4:4:4:	3:4:4:1:	5:3:3:3:	B[3,3]-4:C-4:C-4:	N-3:C-4:C-4:H-1:	Ge[3,3,4]-5:N[3]-3:N[3]-3:N-3:	N(B[3,3]Ge[3,3,4]N[3]2)(CCCH)2	C(NB[3,3]C)(CH3)2(H)	B[3,3](Ge[3,3,4]Ge[3,3,4]C[4]N[3]2)(N[3]Ge[3,3,4]C[6a])2(NCC)	N(B[3,3]Ge[3,3,4]N[3]2)(CCCH)2	C(NB[3,3]C)(CH3)2(H)	B[3,3](Ge[3,3,4]Ge[3,3,4]C[4]N[3]2)(N[3]Ge[3,3,4]C[6a])2(NCC){1|B<4>,1|C<4>,1|O<2>,2|N<3>,5|C<3>}	122.6690	5.494	2	122.3475	9.951	6	122.4690	10.431	8	122.3233	10.933	22	122.2993	11.765	30	122.2993	11.765	30
956	490	654	0:SP3_SP3_SP3	N	C	B[3,3]	4:4:4:	3:4:4:1:	5:3:3:3:	B[3,3]-4:C-4:C-4:	N-3:C-4:C-4:H-1:	Ge[3,3,4]-5:N[3]-3:N[3]-3:N-3:	N(B[3,3]Ge[3,3,4]N[3]2)(CCCH)2	C(NB[3,3]C)(CH3)2(H)	B[3,3](Ge[3,3,4]Ge[3,3,4]C[4]N[3]2)(N[3]Ge[3,3,4]C[6a])2(NCC)	N(B[3,3]Ge[3,3,4]N[3]2)(CCCH)2	C(NB[3,3]C)(CH3)2(H)	B[3,3](Ge[3,3,4]Ge[3,3,4]C[4]N[3]2)(N[3]Ge[3,3,4]C[6a])2(NCC){1|B<4>,2|N<3>,6|C<3>}	122.1868	2.534	4	122.3475	9.951	6	122.4690	10.431	8	122.3233	10.933	22	122.2993	11.765	30	122.2993	11.765	30
956	490	654	0:SP3_SP3_SP3	N	C	B[3,3]	4:4:4:	3:4:4:1:	5:3:3:3:	B[3,3]-4:C-4:C-4:	N-3:C-4:C-4:H-1:	Ge[3,3,4]-5:N[3]-3:N[3]-3:N-3:	N(B[3,3]Ge[3,3,4]N[3]2)(CCCH)2	C(NB[3,3]C)(CH3)2(H)	B[3,3](Ge[3,3,4]Ge[3,3,4]N[3]2O[4])(N[3]Ge[3,3,4]C[6a])2(NCC)	N(B[3,3]Ge[3,3,4]N[3]2)(CCCH)2	C(NB[3,3]C)(CH3)2(H)	B[3,3](Ge[3,3,4]Ge[3,3,4]N[3]2O[4])(N[3]Ge[3,3,4]C[6a])2(NCC){1|B<4>,1|C<4>,2|N<3>,4|C<3>}	122.8335	4.786	2	122.8335	22.910	2	122.4690	10.431	8	122.3233	10.933	22	122.2993	11.765	30	122.2993	11.765	30
956	490	654	0:SP3_SP3_SP3	N	C	B[3,3]	4:4:4:	3:4:4:1:	5:3:3:3:	B[3,3]-4:C-4:C-4:	N-3:C-4:C-4:H-1:	Ge[3,3,5]-5:N[3]-3:N[3]-3:N-3:	N(B[3,3]Ge[3,3,5]N[3]2)(CCCH)2	C(NB[3,3]C)(CH3)2(H)	B[3,3](Ge[3,3,5]C[5]2N[3]2)(N[3]Ge[3,3,5]C[6a])2(NCC)	N(B[3,3]Ge[3,3,5]N[3]2)(CCCH)2	C(NB[3,3]C)(CH3)2(H)	B[3,3](Ge[3,3,5]C[5]2N[3]2)(N[3]Ge[3,3,5]C[6a])2(NCC){4|H<1>,6|C<3>}	122.5800	4.506	2	122.5800	20.301	2	122.2385	12.218	10	122.3233	10.933	22	122.2993	11.765	30	122.2993	11.765	30
956	490	654	0:SP3_SP3_SP3	N	C	B[3,3]	4:4:4:	3:4:4:1:	5:3:3:3:	B[3,3]-4:C-4:C-4:	N-3:C-4:C-4:H-1:	Ge[3,3,5]-5:N[3]-3:N[3]-3:N-3:	N(B[3,3]Ge[3,3,5]N[3]2)(CCCH)2	C(NB[3,3]C)(CH3)2(H)	B[3,3](Ge[3,3,5]Ge[5]N[3]2N[5])(N[3]Ge[3,3,5]C[6a])2(NCC)	N(B[3,3]Ge[3,3,5]N[3]2)(CCCH)2	C(NB[3,3]C)(CH3)2(H)	B[3,3](Ge[3,3,5]Ge[5]N[3]2N[5])(N[3]Ge[3,3,5]C[6a])2(NCC){1|B<3>,1|C<2>,1|N<3>,5|C<3>}	121.8893	4.429	4	121.8893	19.617	4	122.2385	12.218	10	122.3233	10.933	22	122.2993	11.765	30	122.2993	11.765	30
956	490	654	0:SP3_SP3_SP3	N	C	B[3,3]	4:4:4:	3:4:4:1:	5:3:3:3:	B[3,3]-4:C-4:C-4:	N-3:C-4:C-4:H-1:	Ge[3,3,5]-5:N[3]-3:N[3]-3:N-3:	N(B[3,3]Ge[3,3,5]N[3]2)(CCCH)2	C(NB[3,3]C)(CH3)2(H)	B[3,3](Ge[3,3,5]N[3]2N[5]2)(N[3]Ge[3,3,5]C[6a])2(NCC)	N(B[3,3]Ge[3,3,5]N[3]2)(CCCH)2	C(NB[3,3]C)(CH3)2(H)	B[3,3](Ge[3,3,5]N[3]2N[5]2)(N[3]Ge[3,3,5]C[6a])2(NCC){8|C<3>}	122.4170	3.160	4	122.4170	9.987	4	122.2385	12.218	10	122.3233	10.933	22	122.2993	11.765	30	122.2993	11.765	30
956	490	654	0:SP3_SP3_SP3	N	C	B[3,3]	4:4:4:	3:4:4:1:	5:3:3:3:	B[3,3]-4:C-4:C-4:	N-3:C-4:C-4:H-1:	Ge[3x3]-5:N[3]-3:N[3]-3:N-3:	N(B[3,3]Ge[3x3]N[3]2)(CCCH)2	C(NB[3,3]C)(CH3)2(H)	B[3,3](Ge[3x3]Ge[3x3]N[3]3)(N[3]Ge[3x3]C[6a])2(NCC)	N(B[3,3]Ge[3x3]N[3]2)(CCCH)2	C(NB[3,3]C)(CH3)2(H)	B[3,3](Ge[3x3]Ge[3x3]N[3]3)(N[3]Ge[3x3]C[6a])2(NCC){1|B<4>,1|C<4>,2|N<3>,4|C<3>}	122.2438	3.931	4	122.2438	15.451	4	122.2438	15.451	4	122.3233	10.933	22	122.2993	11.765	30	122.2993	11.765	30
956	490	658	0:SP2_SP3_SP3	N	C	Si[6]	4:3:4:	3:4:4:4:	4:3:2:3:	Si[6]-4:C-3:C-4:	N-3:C-4:C-4:C-4:	Si[3,6]-4:C[6a]-3:O[6]-2:N-3:	N(Si[6]Si[3,6]C[6a]O[6])(CC[6a]N)(CC3)	C(NSi[6]C)(CH3)3	Si[6](Si[3,6]Si[3,4]O[3]O[6])(C[6a]C[6,6a]C[6a])(O[6]Si[3,6])(NCC)	N(Si[6]Si[3,6]C[6a]O[6])(CC[6a]N)(CC3)	C(NSi[6]C)(CH3)3	Si[6](Si[3,6]Si[3,4]O[3]O[6])(C[6a]C[6,6a]C[6a])(O[6]Si[3,6])(NCC){1|Si<4>,1|Si<5>,1|H<1>,2|N<3>,2|O<2>,3|C<3>}	123.6690	0.000	1	123.6690	0.000	1	123.6690	0.000	1	123.6690	0.000	1	130.6470	25.133	4	130.6470	25.133	4
956	490	658	0:SP2_SP3_SP3	N	C	Si[6]	4:4:1:	3:4:4:4:	2:2:3:3:	Si[6]-4:C-4:H-1:	N-3:C-4:C-4:C-4:	O[6]-2:O[6]-2:N-3:N-3:	N(Si[6]O[6]2N)(CC3)(H)	C(NSi[6]H)(CH3)3	Si[6](O[6]Si[6])2(NCH)2	N(Si[6]O[6]2N)(CC3)(H)	C(NSi[6]H)(CH3)3	Si[6](O[6]Si[6])2(NCH)2{1|O<2>,4|C<3>}	132.1290	2.490	2	132.1290	6.202	2	132.1290	6.202	2	132.1290	6.202	2	130.6470	25.133	4	130.6470	25.133	4
956	490	658	0:SP2_SP3_SP3	N	C	Si[6]	4:4:1:	3:4:4:4:	3:3:3:1:	Si[6]-4:C-4:H-1:	N-3:C-4:C-4:C-4:	N[6]-3:N[6]-3:N-3:H-1:	N(Si[6]N[6]2H)(CC3)(H)	C(NSi[6]H)(CH3)3	Si[6](N[6]C[6a]C[6])2(NCH)(H)	N(Si[6]N[6]2H)(CC3)(H)	C(NSi[6]H)(CH3)3	Si[6](N[6]C[6a]C[6])2(NCH)(H){2|N<3>,5|C<3>}	134.6610	0.000	1	134.6610	0.000	1	134.6610	0.000	1	134.6610	0.000	1	130.6470	25.133	4	130.6470	25.133	4
956	490	679	0:SP3_SP3_SP3	N	C	B[5a]	4:4:1:	3:4:4:4:	3:3:4:3:	B[5a]-4:C-4:H-1:	N-3:C-4:C-4:C-4:	N[5a,6a]-3:N[5a,6a]-3:C[5]-4:N-3:	N(B[5a]N[5a,6a]2C[5])(CC3)(H)	C(NB[5a]H)(CH3)3	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(NCH)	N(B[5a]N[5a,6a]2C[5])(CC3)(H)	C(NB[5a]H)(CH3)3	B[5a](N[5a,6a]C[5a,6a]C[6a])2(C[5]C[5]2Fe)(NCH){2|C<4>,4|C<3>,4|H<1>}	133.1700	0.000	1	133.1700	0.000	1	133.1700	0.000	1	133.1700	0.000	1	121.1487	109.572	3	121.1487	109.572	3
956	490	679	0:SP3_SP3_SP3	N	C	B[5a]	4:4:4:	3:1:1:1:	4:2:2:3:	B[5a]-4:C-4:C-4:	N-3:H-1:H-1:H-1:	B[5a]-4:S[5a]-2:S[5a]-2:N-3:	N(B[5a]B[5a]S[5a]2)(CH3)2	C(NB[5a]C)(H)3	B[5a](B[5a]S[5a]2N)(S[5a]C[5,5a])2(NCC)	N(B[5a]B[5a]S[5a]2)(CH3)2	C(NB[5a]C)(H)3	B[5a](B[5a]S[5a]2N)(S[5a]C[5,5a])2(NCC){2|C<3>,2|S<2>}	115.1380	1.541	2	115.1380	2.376	2	115.1380	2.376	2	115.1380	2.376	2	121.1487	109.572	3	121.1487	109.572	3
956	490	686	0:SP2_SP3_SPD5	N	C	Ge[4,5]	5:3:4:	3:1:1:1:	2:2:3:3:3:	Ge[4,5]-5:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	O[4]-2:O[4]-2:N[5]-3:N[5]-3:N-3:	N(Ge[4,5]N[5]2O[4]2)(C[6a]C[6a]2)(CH3)	C(NGe[4,5]C[6a])(H)3	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(NC[6a]C)	N(Ge[4,5]N[5]2O[4]2)(C[6a]C[6a]2)(CH3)	C(NGe[4,5]C[6a])(H)3	Ge[4,5](O[4]Ge[4,5])2(N[5]C[5]C)2(NC[6a]C){2|C<3>,3|N<3>}	114.9960	0.000	1	114.9960	0.000	1	114.9960	0.000	1	114.9960	0.000	1	114.9960	0.000	1	114.9960	0.000	1
956	490	694	0:SP2_SP2_SP3	N	C	B[4,4]	3:4:4:	3:4:4:1:	3:3:3:	B[4,4]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	Si[4x4]-3:Si[4x4]-3:N-3:	N(B[4,4]Si[4x4]2)(CCCH)2	C(NB[4,4]C)(CH3)2(H)	B[4,4](Si[4x4]Si[4x4]2)2(NCC)	N(B[4,4]Si[4x4]2)(CCCH)2	C(NB[4,4]C)(CH3)2(H)	B[4,4](Si[4x4]Si[4x4]2)2(NCC){1|Si<4>,2|C<3>}	121.9310	0.881	2	121.9310	0.776	2	121.9310	0.776	2	121.9310	0.776	2	121.9310	0.776	2	121.8245	6.944	10
956	490	694	0:SP2_SP2_SP3	N	C	B[4]	3:4:4:	3:4:4:1:	3:3:3:	B[4]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	N[4]-3:N[4]-3:N-3:	N(B[4]N[4]2)(CCCH)2	C(NB[4]C)(CH3)2(H)	B[4](N[4]C[4]C)2(NCC)	N(B[4]N[4]2)(CCCH)2	C(NB[4]C)(CH3)2(H)	B[4](N[4]C[4]C)2(NCC){1|C<3>}	122.3400	1.904	2	122.3400	3.623	2	122.5842	9.278	6	122.5842	9.278	6	121.7979	8.814	8	121.8245	6.944	10
956	490	694	0:SP2_SP2_SP3	N	C	B[4]	3:4:4:	3:4:4:1:	3:3:3:	B[4]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	N[4]-3:N[4]-3:N-3:	N(B[4]N[4]2)(CCCH)2	C(NB[4]C)(CH3)2(H)	B[4](N[4]C[4]C[6])2(NCC)	N(B[4]N[4]2)(CCCH)2	C(NB[4]C)(CH3)2(H)	B[4](N[4]C[4]C[6])2(NCC){1|C<3>,2|H<1>,4|C<4>}	122.5440	3.695	2	122.5440	13.656	2	122.5842	9.278	6	122.5842	9.278	6	121.7979	8.814	8	121.8245	6.944	10
956	490	694	0:SP2_SP2_SP3	N	C	B[4]	3:4:4:	3:4:4:1:	3:3:3:	B[4]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	N[4]-3:N[4]-3:N-3:	N(B[4]N[4]2)(CCCH)2	C(NB[4]C)(CH3)2(H)	B[4](N[4]C[6a]Ge[4])2(NCC)	N(B[4]N[4]2)(CCCH)2	C(NB[4]C)(CH3)2(H)	B[4](N[4]C[6a]Ge[4])2(NCC){1|N<3>,4|C<3>}	122.8685	5.369	2	122.8685	28.827	2	122.5842	9.278	6	122.5842	9.278	6	121.7979	8.814	8	121.8245	6.944	10
956	490	694	0:SP2_SP2_SP3	N	C	B[4]	3:4:4:	3:4:4:1:	4:3:3:	B[4]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	N[4,4]-4:N[4]-3:N-3:	N(B[4]N[4,4]N[4])(CCCH)2	C(NB[4]C)(CH3)2(H)	B[4](N[4,4]Ge[4,4]2C[6a])(N[4]Ge[4,4]C[6a])(NCC)	N(B[4]N[4,4]N[4])(CCCH)2	C(NB[4]C)(CH3)2(H)	B[4](N[4,4]Ge[4,4]2C[6a])(N[4]Ge[4,4]C[6a])(NCC){1|N<3>,1|N<4>,4|C<3>}	119.4390	0.683	2	119.4390	0.467	2	119.4390	0.467	2	119.4390	0.467	2	121.7979	8.814	8	121.8245	6.944	10
956	490	722	0:SP2_SP3_SPD5	N	C	Si[4,5]	5:3:4:	3:4:4:1:	4:4:3:3:3:	Si[4,5]-5:C-3:C-4:	N-3:C-4:C-4:H-1:	C[5]-4:C[5]-4:N[4]-3:N[4]-3:N-3:	N(Si[4,5]C[5]2N[4]2)(CC[6a]N)(CCCH)	C(NSi[4,5]C)(CH3)2(H)	Si[4,5](C[5]C[6a]C[5]H)2(N[4]C[4]C)2(NCC)	N(Si[4,5]C[5]2N[4]2)(CC[6a]N)(CCCH)	C(NSi[4,5]C)(CH3)2(H)	Si[4,5](C[5]C[6a]C[5]H)2(N[4]C[4]C)2(NCC){2|H<1>,5|C<3>}	133.0400	0.000	1	133.0400	0.000	1	133.0400	0.000	1	133.0400	0.000	1	133.0400	0.000	1	126.9533	31.058	3
956	490	722	0:SP2_SP3_SPD5	N	C	Si[4]	5:4:4:	3:1:1:1:	3:3:3:3:1:	Si[4]-5:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N[4]-3:N[4]-3:N-3:F-1:	N(Si[4]C[6a]N[4]2F)(CH3)2	C(NSi[4]C)(H)3	Si[4](C[6a]C[6a]2)(N[4]C[4]C)2(NCC)(F)	N(Si[4]C[6a]N[4]2F)(CH3)2	C(NSi[4]C)(H)3	Si[4](C[6a]C[6a]2)(N[4]C[4]C)2(NCC)(F){2|F<1>,3|C<3>}	123.9100	2.558	2	123.9100	6.545	2	123.9100	6.545	2	123.9100	6.545	2	123.9100	6.545	2	126.9533	31.058	3
956	490	722	0:SP3_SP3_SPD5	N	C	Si[4,4]	5:4:4:	3:1:1:1:	2:2:3:3:3:	Si[4,4]-5:C-4:C-4:	N-3:H-1:H-1:H-1:	O[4]-2:O[4]-2:N[4]-3:N[4]-3:N-3:	N(Si[4,4]N[4]2O[4]2)(CH3)2	C(NSi[4,4]C)(H)3	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(NCC)	N(Si[4,4]N[4]2O[4]2)(CH3)2	C(NSi[4,4]C)(H)3	Si[4,4](O[4]Si[4,4])2(N[4]C[4]C)2(NCC){1|C<3>,3|N<3>}	124.0280	2.103	4	124.0280	4.422	4	124.0280	4.422	4	124.0280	4.422	4	124.0280	4.422	4	124.0280	4.422	4
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:3:4:	3:1:1:1:	2:2:3:	C[5a]-3:C[5a]-3:C-4:	N-3:H-1:H-1:H-1:	N[5a]-2:N[5a]-2:N-3:	N(C[5a]N[5a]2)2(CH3)	C(NC[5a]2)(H)3	C[5a](N[5a]N[5a])2(NC[5a]C)	N(C[5a]N[5a]2)2(CH3)	C(NC[5a]2)(H)3	C[5a](N[5a]N[5a])2(NC[5a]C){1|C<4>}	118.1090	0.000	1	118.1090	0.000	1	118.1090	0.000	1	117.9196	3.625	5	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:3:4:	3:1:1:1:	2:2:3:	C[5a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CH3)	C(NC[5a]C[6a])(H)3	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]C)	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CH3)	C(NC[5a]C[6a])(H)3	C[5a](N[5a]C[5a])(S[5a]C[5a])(NC[6a]C){1|C<3>,1|C<4>}	117.8723	2.195	4	117.8723	4.818	4	117.8723	4.818	4	117.9196	3.625	5	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:3:4:	3:1:1:1:	3:2:3:	C[5a]-3:N-3:C-4:	N-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(NFeC)(CH3)	C(NC[5a]N)(H)3	C[5a](N[5a]C[5a,6a]Fe)(N[5a]C[5a,6a])(NCN)	N(C[5a]N[5a]2)(NFeC)(CH3)	C(NC[5a]N)(H)3	C[5a](N[5a]C[5a,6a]Fe)(N[5a]C[5a,6a])(NCN){2|C<3>}	117.5530	0.000	1	117.5530	0.000	1	117.5530	0.000	1	117.5530	0.000	1	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)(CC[6a]O)(CH3)	C(NC[5a]C)(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(NCC)	N(C[5a]C[5a]2)(CC[6a]O)(CH3)	C(NC[5a]C)(H)3	C[5a](C[5a]C[5a]H)(C[5a]N[5a]H)(NCC){1|C<3>,1|C<4>}	116.7070	1.099	4	116.7070	1.207	4	116.7070	1.207	4	117.0288	0.978	6	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(CC[6a]O)(CH3)	C(NC[5a]C)(H)3	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCC)	N(C[5a]C[5a]N[5a])(CC[6a]O)(CH3)	C(NC[5a]C)(H)3	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCC){1|C<4>,2|C<3>}	117.7840	0.000	1	117.7840	0.000	1	117.6725	0.025	2	117.0288	0.978	6	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[5a]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(CC[6a]O)(CH3)	C(NC[5a]C)(H)3	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCC)	N(C[5a]C[5a]N[5a])(CC[6a]O)(CH3)	C(NC[5a]C)(H)3	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCC){1|C<4>,2|C<3>}	117.5610	0.000	1	117.5610	0.000	1	117.6725	0.025	2	117.0288	0.978	6	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a]-3:C[6a]-3:C-4:	N-3:O-2:H-1:H-1:	N[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(CHHO)	C(NC[5a]C[6a])(OH)(H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6a]C)	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(CHHO)	C(NC[5a]C[6a])(OH)(H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6a]C){1|H<1>,4|C<3>}	116.9795	1.529	2	116.9795	2.339	2	118.5650	4.537	4	118.5650	4.537	4	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:3:4:	3:2:1:1:	3:3:3:	C[5a]-3:C[6a]-3:C-4:	N-3:O-2:H-1:H-1:	N[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]N[6a])(CHHO)	C(NC[5a]C[6a])(OC)(H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6a]C)	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]N[6a])(CHHO)	C(NC[5a]C[6a])(OC)(H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NC[6a]C){1|H<1>,4|C<3>}	120.1505	1.102	2	120.1505	1.215	2	118.5650	4.537	4	118.5650	4.537	4	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:3:4:	3:3:1:1:	3:2:3:	C[5a]-3:C[6a]-3:C-4:	N-3:C-3:H-1:H-1:	C[5a]-3:O[5a]-2:N-3:	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCHH)	C(NC[5a]C[6a])(CCC)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC[6a]C)	N(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CCHH)	C(NC[5a]C[6a])(CCC)(H)2	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NC[6a]C){1|C<3>,1|C<4>}	118.6380	0.000	1	118.6380	0.000	1	118.6380	0.000	1	118.6380	0.000	1	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:3:4:	3:3:1:1:	3:3:3:	C[5a]-3:C[6a]-3:C-4:	C[6a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(NC[5a]C[6a])(H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NC[6a]C)	N(C[5a]C[5a]2)(C[6a]C[6a]2)(CC[6a]HH)	C(C[6a]C[6a]N[6a])(NC[5a]C[6a])(H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NC[6a]C){1|C<4>,2|C<3>}	116.1470	0.000	1	116.1470	0.000	1	116.1470	0.000	1	116.1470	0.000	1	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:3:4:	3:4:1:1:	2:2:3:	C[5a]-3:C-3:C-4:	N-3:C-4:H-1:H-1:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(CC[6a]O)(CCHH)	C(NC[5a]C)(CH3)(H)2	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCC)	N(C[5a]N[5a]S[5a])(CC[6a]O)(CCHH)	C(NC[5a]C)(CH3)(H)2	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCC){1|C<3>,1|H<1>}	116.6110	0.000	1	116.6110	0.000	1	116.6110	0.000	1	116.6110	0.000	1	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[6a]-3:C-4:	N-3:C-4:H-1:H-1:	C[5,5a]-3:C[5a,6a]-3:N-3:	N(C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(CCHH)	C(NC[5a]C[6a])(CH3)(H)2	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(NC[6a]C)	N(C[5a]C[5a,6a]C[5,5a])(C[6a]C[6a]2)(CCHH)	C(NC[5a]C[6a])(CH3)(H)2	C[5a](C[5,5a]C[5,5a]C[5,6a])(C[5a,6a]C[5a,6a]C[6a])(NC[6a]C){1|H<1>,5|C<3>}	115.5430	0.000	1	115.5430	0.000	1	115.5430	0.000	1	115.5430	0.000	1	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:3:4:	3:4:4:1:	3:3:3:	B[6,6]-3:C[5a]-3:C-4:	N-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-3:N-3:	N(B[6,6]C[6,6]2)(C[5a]N[5a]2)(CCCH)	C(NB[6,6]C[5a])(CH3)2(H)	C[5a](N[5a]B[5a,6,6]C[6a])(N[5a]C[5a]C)(NB[6,6]C)	N(B[6,6]C[6,6]2)(C[5a]N[5a]2)(CCCH)	C(NB[6,6]C[5a])(CH3)2(H)	C[5a](N[5a]B[5a,6,6]C[6a])(N[5a]C[5a]C)(NB[6,6]C){1|N<2>,2|C<3>,2|C<4>}	113.4240	0.000	1	113.4240	0.000	1	113.4240	0.000	1	114.3375	1.669	2	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:3:4:	3:4:4:1:	3:3:3:	C[5a]-3:C[6a]-3:C-4:	N-3:C-4:C-4:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCH)	C(NC[5a]C[6a])(CCHH)(CH3)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NC[6a]C)	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCCH)	C(NC[5a]C[6a])(CCHH)(CH3)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NC[6a]C){1|C<4>,1|H<1>,2|C<3>}	115.2510	0.000	1	115.2510	0.000	1	115.2510	0.000	1	114.3375	1.669	2	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:1:1:1:	2:2:3:	C[5a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	N[5a]-2:O[5a]-2:N-3:	N(C[5a]N[5a]O[5a])(CH3)(H)	C(NC[5a]H)(H)3	C[5a](N[5a]N[5a])(O[5a]C[5a])(NCH)	N(C[5a]N[5a]O[5a])(CH3)(H)	C(NC[5a]H)(H)3	C[5a](N[5a]N[5a])(O[5a]C[5a])(NCH){1|C<3>}	122.0360	0.000	1	122.0360	0.000	1	122.0360	0.000	1	121.1563	2.423	3	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:1:1:1:	2:2:3:	C[5a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(CH3)(H)	C(NC[5a]H)(H)3	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH)	N(C[5a]N[5a]S[5a])(CH3)(H)	C(NC[5a]H)(H)3	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH){1|C<3>,1|H<1>}	122.0740	0.000	1	122.0740	0.000	1	120.7165	3.686	2	121.1563	2.423	3	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:1:1:1:	2:2:3:	C[5a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(CH3)(H)	C(NC[5a]H)(H)3	C[5a](N[5a]N[5a])(S[5a]C[5a])(NCH)	N(C[5a]N[5a]S[5a])(CH3)(H)	C(NC[5a]H)(H)3	C[5a](N[5a]N[5a])(S[5a]C[5a])(NCH){1|C<4>}	119.3590	0.000	1	119.3590	0.000	1	120.7165	3.686	2	121.1563	2.423	3	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:1:1:1:	3:2:3:	C[5a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(CH3)(H)	C(NC[5a]H)(H)3	C[5a](C[5a]C[5a,6a]S)(N[5a]N[5a,6a])(NCH)	N(C[5a]C[5a]N[5a])(CH3)(H)	C(NC[5a]H)(H)3	C[5a](C[5a]C[5a,6a]S)(N[5a]N[5a,6a])(NCH){1|C<3>,1|N<2>}	122.9660	0.000	1	122.9660	0.000	1	122.4385	0.557	2	121.7323	1.774	3	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:1:1:1:	3:2:3:	C[5a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(CH3)(H)	C(NC[5a]H)(H)3	C[5a](C[5a]N[5a]C)(N[5a]S[5a])(NCH)	N(C[5a]C[5a]N[5a])(CH3)(H)	C(NC[5a]H)(H)3	C[5a](C[5a]N[5a]C)(N[5a]S[5a])(NCH)	121.9110	0.000	1	121.9110	0.000	1	122.4385	0.557	2	121.7323	1.774	3	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:1:1:1:	3:2:3:	C[5a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(CH3)(H)	C(NC[5a]H)(H)3	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCH)	N(C[5a]N[5a]2)(CH3)(H)	C(NC[5a]H)(H)3	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCH)	120.3200	0.000	1	120.3200	0.000	1	120.3200	0.000	1	121.7323	1.774	3	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:1:1:1:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)(CH3)(H)	C(NC[5a]H)(H)3	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NCH)	N(C[5a]C[5a]2)(CH3)(H)	C(NC[5a]H)(H)3	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NCH){3|C<3>}	118.9300	0.000	1	118.9300	0.000	1	118.9300	0.000	1	118.9300	0.000	1	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:2:1:1:	2:2:3:	C[5a]-3:C-4:H-1:	N-3:C-2:H-1:H-1:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(CCHH)(H)	C(NC[5a]H)(CC)(H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCH)	N(C[5a]N[5a]S[5a])(CCHH)(H)	C(NC[5a]H)(CC)(H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCH){2|C<3>}	125.0040	0.000	1	125.0040	0.000	1	125.0040	0.000	1	125.0040	0.000	1	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:3:1:1:	2:2:3:	C[5a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH)	N(C[5a]N[5a]S[5a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH){1|C<3>,1|C<4>}	122.7380	0.000	1	122.7020	0.029	3	122.2455	0.853	4	122.8467	1.384	6	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:3:1:1:	2:2:3:	C[5a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH)	N(C[5a]N[5a]S[5a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH){1|C<4>,1|H<1>}	122.6840	0.235	2	122.7020	0.029	3	122.2455	0.853	4	122.8467	1.384	6	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:3:1:1:	2:2:3:	C[5a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[5a]H)(H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCH)	N(C[5a]N[5a]S[5a])(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[5a]H)(H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCH){2|C<3>}	120.8760	0.000	1	120.8760	0.000	1	122.2455	0.853	4	122.8467	1.384	6	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:3:1:1:	2:2:3:	C[5a]-3:C-4:H-1:	N-3:N-3:H-1:H-1:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(CHHN)(H)	C(NC[5a]H)2(H)2	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH)	N(C[5a]N[5a]S[5a])(CHHN)(H)	C(NC[5a]H)2(H)2	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH){2|H<1>}	124.0490	0.153	2	124.0490	0.023	2	124.0490	0.023	2	122.8467	1.384	6	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:3:1:1:	3:2:3:	C[5a]-3:C-4:H-1:	C[5a]-3:N-3:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(CC[5a]HH)(H)	C(C[5a]C[5a]O[5a])(NC[5a]H)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCH)	N(C[5a]N[5a]2)(CC[5a]HH)(H)	C(C[5a]C[5a]O[5a])(NC[5a]H)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCH){1|C<3>,1|N<3>}	121.3950	0.000	1	121.3950	0.000	1	121.3950	0.000	1	121.2271	1.758	8	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:3:1:1:	3:2:3:	C[5a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NCH)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[5a](C[5a]C[5a]C)(N[5a]N[5a])(NCH){1|N<3>,1|P<4>}	119.7465	1.080	2	119.7465	1.166	2	119.7465	1.166	2	121.2271	1.758	8	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:3:1:1:	3:2:3:	C[5a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[5a,6a]-3:N[5a]-2:N-3:	N(C[5a]N[5a,6a]N[5a])(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[5a]H)(H)2	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(NCH)	N(C[5a]N[5a,6a]N[5a])(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[5a]H)(H)2	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(NCH){3|C<3>}	120.1400	0.000	1	120.1400	0.000	1	120.1400	0.000	1	121.2271	1.758	8	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:3:1:1:	3:2:3:	C[5a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCH)	N(C[5a]N[5a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCH){1|C<3>,1|N<3>}	122.0370	0.000	1	122.0370	0.000	1	121.6105	0.364	2	121.2271	1.758	8	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:3:1:1:	3:2:3:	C[5a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NCH)	N(C[5a]N[5a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NCH){2|C<3>}	121.1840	0.000	1	121.1840	0.000	1	121.6105	0.364	2	121.2271	1.758	8	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:3:1:1:	3:2:3:	C[5a]-3:C-4:H-1:	N-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(CCHH)(H)	C(NC[5a]H)(CNN)(H)2	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(NCH)	N(C[5a]C[5a]N[5a])(CCHH)(H)	C(NC[5a]H)(CNN)(H)2	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(NCH)	122.7840	0.204	2	122.7840	0.041	2	122.7840	0.041	2	121.2271	1.758	8	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:3:1:1:	3:3:3:	C[5a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(NCH)	N(C[5a]C[5a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[5a](C[5a]C[5a]H)(C[5a]S[5a]C)(NCH){1|C<3>}	122.4870	0.000	1	122.4870	0.000	1	122.4870	0.000	1	117.8867	8.970	10	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:3:1:1:	3:3:3:	C[5a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(NCH)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a]S)(NCH){4|C<3>}	118.1680	0.867	2	118.1680	0.752	2	116.1995	5.538	4	117.8867	8.970	10	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:3:1:1:	3:3:3:	C[5a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NCH)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NCH){1|C<2>,1|H<1>}	114.2310	0.602	2	114.2310	0.363	2	116.1995	5.538	4	117.8867	8.970	10	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:3:1:1:	3:3:3:	C[5a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCH)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCH){1|C<4>,2|C<3>}	116.5540	0.057	2	116.5540	0.003	2	116.5540	0.003	2	117.8867	8.970	10	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:3:1:1:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:C-3:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)(CCHH)(H)	C(NC[5a]H)(CNO)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCH)	N(C[5a]C[5a]2)(CCHH)(H)	C(NC[5a]H)(CNO)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCH){1|C<3>,1|C<4>}	116.0260	0.000	1	116.0260	0.000	1	116.0260	0.000	1	117.8867	8.970	10	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:3:1:1:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:C-3:H-1:H-1:	N[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]N[5a,6a]C[5a])(CCHH)(H)	C(NC[5a]H)(COO)(H)2	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(NCH)	N(C[5a]N[5a,6a]C[5a])(CCHH)(H)	C(NC[5a]H)(COO)(H)2	C[5a](N[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]N[5a])(NCH){5|C<3>}	120.1580	0.000	1	120.1580	0.000	1	120.1580	0.000	1	117.8867	8.970	10	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:3:1:1:	3:3:3:	C[5a]-3:C-4:H-1:	N[5a]-3:N-3:H-1:H-1:	N[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(CN[5a]HH)(H)	C(N[5a]C[5a,6a]N[5a])(NC[5a]H)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCH)	N(C[5a]C[5a]N[5a])(CN[5a]HH)(H)	C(N[5a]C[5a,6a]N[5a])(NC[5a]H)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCH){1|C<4>,2|C<3>}	122.2900	0.000	1	122.2900	0.000	1	122.2900	0.000	1	117.8867	8.970	10	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:3:3:1:	2:2:3:	C[5a]-3:C-4:H-1:	C[6a]-3:N-3:N-3:H-1:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(CC[6a]HN)(H)	C(C[6a]C[6a]N[6a])(NC[5a]H)2(H)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NCH)	N(C[5a]N[5a]S[5a])(CC[6a]HN)(H)	C(C[6a]C[6a]N[6a])(NC[5a]H)2(H)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NCH){1|H<1>}	119.7440	1.581	2	119.7440	2.500	2	119.7440	2.500	2	120.7467	4.266	3	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:3:3:1:	2:2:3:	C[5a]-3:C-4:H-1:	C[6a]-3:N[6]-3:N-3:H-1:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(CC[6a]N[6]H)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[5a]H)(H)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NCH)	N(C[5a]N[5a]S[5a])(CC[6a]N[6]H)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(NC[5a]H)(H)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NCH){1|H<1>}	122.7520	0.000	1	122.7520	0.000	1	122.7520	0.000	1	120.7467	4.266	3	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:3:3:1:	3:3:3:	C[5a]-3:C-4:H-1:	C-3:N-3:N-3:H-1:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(CCHN)(H)	C(CC[6a]O)(NC[5a]H)2(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NCH)	N(C[5a]C[5a]N[5a])(CCHN)(H)	C(CC[6a]O)(NC[5a]H)2(H)	C[5a](C[5a]C[5a]C)(N[5a]N[5a]C)(NCH){1|C<3>}	119.3430	0.826	2	119.3430	0.682	2	119.3430	0.682	2	119.3430	0.682	2	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:3:4:1:	2:2:3:	C[5a]-3:C-4:H-1:	C[6a]-3:N-3:P-4:H-1:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(CC[6a]HP)(H)	C(C[6a]C[6a]2)(NC[5a]H)(PO3)(H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCH)	N(C[5a]N[5a]S[5a])(CC[6a]HP)(H)	C(C[6a]C[6a]2)(NC[5a]H)(PO3)(H)	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCH){2|C<3>}	121.9620	0.000	1	121.9620	0.000	1	120.8442	3.651	6	121.5203	3.659	9	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:3:4:1:	2:2:3:	C[5a]-3:C-4:H-1:	C[6a]-3:N-3:P-4:H-1:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(CC[6a]HP)(H)	C(C[6a]C[6a]2)(NC[5a]H)(PO3)(H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH)	N(C[5a]N[5a]S[5a])(CC[6a]HP)(H)	C(C[6a]C[6a]2)(NC[5a]H)(PO3)(H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH){1|C<3>,1|C<4>}	122.1530	0.000	1	122.1530	0.000	1	120.8442	3.651	6	121.5203	3.659	9	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:3:4:1:	2:2:3:	C[5a]-3:C-4:H-1:	C[6a]-3:N-3:P-4:H-1:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(CC[6a]HP)(H)	C(C[6a]C[6a]2)(NC[5a]H)(PO3)(H)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NCH)	N(C[5a]N[5a]S[5a])(CC[6a]HP)(H)	C(C[6a]C[6a]2)(NC[5a]H)(PO3)(H)	C[5a](N[5a]N[5a])(S[5a]C[5a])(NCH){1|C<3>}	120.2375	2.146	4	120.2375	4.606	4	120.8442	3.651	6	121.5203	3.659	9	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:3:4:1:	2:2:3:	C[5a]-3:C-4:H-1:	N-3:N-3:C-4:H-1:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(CCHN)(H)	C(NC[5a]H)2(CCHO)(H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH)	N(C[5a]N[5a]S[5a])(CCHN)(H)	C(NC[5a]H)2(CCHO)(H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH){2|H<1>}	122.0410	0.000	1	122.0410	0.000	1	122.8727	1.396	3	121.5203	3.659	9	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:3:4:1:	2:2:3:	C[5a]-3:C-4:H-1:	N-3:N-3:C-4:H-1:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(CCHN)(H)	C(NC[5a]H)2(CHHO)(H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH)	N(C[5a]N[5a]S[5a])(CCHN)(H)	C(NC[5a]H)2(CHHO)(H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH){2|H<1>}	123.2885	1.324	2	123.2885	1.754	2	122.8727	1.396	3	121.5203	3.659	9	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:1:1:	2:2:3:	C[5a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(CCHH)(H)	C(NC[5a]H)(CCHH)(H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCH)	N(C[5a]N[5a]S[5a])(CCHH)(H)	C(NC[5a]H)(CCHH)(H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCH){2|C<3>}	124.6450	0.000	1	124.6450	0.000	1	123.3125	3.551	2	123.3125	3.551	2	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:1:1:	2:2:3:	C[5a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(CCHH)(H)	C(NC[5a]H)(CH3)(H)2	C[5a](N[5a]N[5a])(S[5a]C[5a])(NCH)	N(C[5a]N[5a]S[5a])(CCHH)(H)	C(NC[5a]H)(CH3)(H)2	C[5a](N[5a]N[5a])(S[5a]C[5a])(NCH){1|C<4>}	121.9800	0.000	1	121.9800	0.000	1	123.3125	3.551	2	123.3125	3.551	2	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:1:1:	3:2:3:	C[5a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(CCHH)(H)	C(NC[5a]H)(CHNO)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NCH)	N(C[5a]C[5a]N[5a])(CCHH)(H)	C(NC[5a]H)(CHNO)(H)2	C[5a](C[5a]N[5a]C)(N[5a]C[5a])(NCH){2|H<1>}	117.4680	0.000	1	117.4680	0.000	1	119.8925	2.539	8	121.4303	9.066	13	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:1:1:	3:2:3:	C[5a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(CCHH)(H)	C(NC[5a]H)(CN3)(H)2	C[5a](C[5a]C[5a]N[5a])(N[5a]O[5a])(NCH)	N(C[5a]C[5a]N[5a])(CCHH)(H)	C(NC[5a]H)(CN3)(H)2	C[5a](C[5a]C[5a]N[5a])(N[5a]O[5a])(NCH){2|N<2>}	120.2900	0.000	1	120.2900	0.000	1	119.8925	2.539	8	121.4303	9.066	13	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:1:1:	3:2:3:	C[5a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(CCHH)(H)	C(NC[5a]H)(CN3)(H)2	C[5a](C[5a]N[5a]C[6])(N[5a]O[5a])(NCH)	N(C[5a]C[5a]N[5a])(CCHH)(H)	C(NC[5a]H)(CN3)(H)2	C[5a](C[5a]N[5a]C[6])(N[5a]O[5a])(NCH){1|N<2>,1|O<2>}	121.3180	0.000	1	121.3180	0.000	1	119.8925	2.539	8	121.4303	9.066	13	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:1:1:	3:2:3:	C[5a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(CCHH)(H)	C(NC[5a]H)(CN3)(H)2	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(NCH)	N(C[5a]C[5a]N[5a])(CCHH)(H)	C(NC[5a]H)(CN3)(H)2	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(NCH)	120.0128	1.552	5	120.0128	2.408	5	119.8925	2.539	8	121.4303	9.066	13	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:1:1:	3:2:3:	C[5a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5a]-3:O[5a]-2:N-3:	N(C[5a]C[5a]O[5a])(CCHH)(H)	C(NC[5a]H)(CH3)(H)2	C[5a](C[5a]C[5a]C[5])(O[5a]N[5a])(NCH)	N(C[5a]C[5a]O[5a])(CCHH)(H)	C(NC[5a]H)(CH3)(H)2	C[5a](C[5a]C[5a]C[5])(O[5a]N[5a])(NCH){1|N<3>,3|C<3>}	126.8970	0.000	2	126.8970	0.000	2	126.8970	0.000	2	121.4303	9.066	13	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:1:1:	3:2:3:	C[5a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:N-3:	N(C[5a]C[5a]S[5a])(CCHH)(H)	C(NC[5a]H)(CH3)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCH)	N(C[5a]C[5a]S[5a])(CCHH)(H)	C(NC[5a]H)(CH3)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCH){1|C<3>,1|C<4>}	124.5130	0.000	1	124.5130	0.000	1	124.5130	0.000	1	121.4303	9.066	13	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:1:1:	3:2:3:	C[5a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[5a,6a]-3:N[5a]-2:N-3:	N(C[5a]N[5a,6a]N[5a])(CCHH)(H)	C(NC[5a]H)(CHHN)(H)2	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(NCH)	N(C[5a]N[5a,6a]N[5a])(CCHH)(H)	C(NC[5a]H)(CHHN)(H)2	C[5a](N[5a,6a]C[5a,6a]N[6a])(N[5a]C[5a])(NCH){1|C<4>,2|C<3>}	119.7480	0.000	1	119.7480	0.000	1	119.7480	0.000	1	121.4303	9.066	13	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:1:1:	3:2:3:	C[5a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(CCHH)(H)	C(NC[5a]H)(CHHN)(H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NCH)	N(C[5a]N[5a]2)(CCHH)(H)	C(NC[5a]H)(CHHN)(H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NCH){2|C<3>}	121.3990	0.000	1	121.3990	0.000	1	121.3990	0.000	1	121.4303	9.066	13	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:1:1:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)(CCHH)(H)	C(NC[5a]H)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(NCH)	N(C[5a]C[5a]2)(CCHH)(H)	C(NC[5a]H)(CCHH)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(NCH){1|C<3>}	125.5620	0.000	1	125.5620	0.000	1	122.1560	25.724	4	123.0583	11.864	10	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:1:1:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)(CCHH)(H)	C(NC[5a]H)(CCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(NCH)	N(C[5a]C[5a]2)(CCHH)(H)	C(NC[5a]H)(CCHH)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(NCH){1|Ni<4>,1|C<3>}	121.7890	0.000	1	121.7890	0.000	1	122.1560	25.724	4	123.0583	11.864	10	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:1:1:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)(CCHH)(H)	C(NC[5a]H)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(NCH)	N(C[5a]C[5a]2)(CCHH)(H)	C(NC[5a]H)(CH3)(H)2	C[5a](C[5a]C[5a]C)(C[5a]O[5a]C)(NCH){1|C<3>}	126.1510	0.000	1	126.1510	0.000	1	122.1560	25.724	4	123.0583	11.864	10	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:1:1:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)(CCHH)(H)	C(NC[5a]H)(CH3)(H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NCH)	N(C[5a]C[5a]2)(CCHH)(H)	C(NC[5a]H)(CH3)(H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NCH){3|C<3>}	115.1220	0.000	1	115.1220	0.000	1	122.1560	25.724	4	123.0583	11.864	10	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:1:1:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:N-3:	N(C[5a]N[5a,6]C[5a])(CCHH)(H)	C(NC[5a]H)(CCHH)(H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(NCH)	N(C[5a]N[5a,6]C[5a])(CCHH)(H)	C(NC[5a]H)(CCHH)(H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]Br)(NCH){1|Br<1>,1|C<3>,1|N<3>,2|F<1>}	127.3260	0.000	1	127.3260	0.000	1	123.3704	5.415	5	123.0583	11.864	10	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:1:1:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[5a,6]-3:C[5a]-3:N-3:	N(C[5a]N[5a,6]C[5a])(CCHH)(H)	C(NC[5a]H)(CCHH)(H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(NCH)	N(C[5a]N[5a,6]C[5a])(CCHH)(H)	C(NC[5a]H)(CCHH)(H)2	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(NCH){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	122.3815	0.837	4	122.3815	0.700	4	123.3704	5.415	5	123.0583	11.864	10	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:1:1:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(CCHH)(H)	C(NC[5a]H)(CCHH)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCH)	N(C[5a]C[5a]N[5a])(CCHH)(H)	C(NC[5a]H)(CCHH)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCH){1|C<3>,1|C<4>,1|N<2>}	125.1070	0.000	1	125.1070	0.000	1	125.1070	0.000	1	123.0583	11.864	10	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:4:1:	2:2:3:	C[5a]-3:C-4:H-1:	N-3:P-4:P-4:H-1:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(CHPP)(H)	C(NC[5a]H)(PO3)2(H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH)	N(C[5a]N[5a]S[5a])(CHPP)(H)	C(NC[5a]H)(PO3)2(H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH){2|H<1>}	123.0220	0.000	1	123.0220	0.000	1	123.0220	0.000	1	123.0220	0.000	1	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:4:1:	3:2:3:	C[5a]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	C[5a]-3:S[5a]-2:N-3:	N(C[5a]C[5a]S[5a])(CCCH)(H)	C(NC[5a]H)(CH3)2(H)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(NCH)	N(C[5a]C[5a]S[5a])(CCCH)(H)	C(NC[5a]H)(CH3)2(H)	C[5a](C[5a]C[5a,6a]C)(S[5a]C[5a,6a])(NCH){2|C<3>}	126.8760	0.000	1	126.8760	0.000	1	125.5590	3.469	2	123.6737	12.398	3	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:4:1:	3:2:3:	C[5a]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	C[5a]-3:S[5a]-2:N-3:	N(C[5a]C[5a]S[5a])(CCCH)(H)	C(NC[5a]H)(CH3)2(H)	C[5a](C[5a]C[5a]C)(S[5a]N[5a])(NCH)	N(C[5a]C[5a]S[5a])(CCCH)(H)	C(NC[5a]H)(CH3)2(H)	C[5a](C[5a]C[5a]C)(S[5a]N[5a])(NCH){1|H<1>,1|O<1>}	124.2420	0.000	1	124.2420	0.000	1	125.5590	3.469	2	123.6737	12.398	3	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:4:1:	3:2:3:	C[5a]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(CCCH)(H)	C(NC[5a]H)(CH3)2(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCH)	N(C[5a]N[5a]2)(CCCH)(H)	C(NC[5a]H)(CH3)2(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCH){2|C<3>}	119.9030	0.000	1	119.9030	0.000	1	119.9030	0.000	1	123.6737	12.398	3	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:4:1:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-3:N-3:	N(C[5a]N[5a]2)(CCCH)(H)	C(NC[5a]H)(CH3)2(H)	C[5a](N[5a]B[5a]C[6a])(N[5a]C[5a]C)(NCH)	N(C[5a]N[5a]2)(CCCH)(H)	C(NC[5a]H)(CH3)2(H)	C[5a](N[5a]B[5a]C[6a])(N[5a]C[5a]C)(NCH){1|N<2>,2|C<3>,2|C<4>}	120.6350	0.000	1	120.6350	0.000	1	120.6350	0.000	1	120.6350	0.000	1	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:4:4:	3:2:3:	C[5a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(CC3)(H)	C(NC[5a]H)(CCHH)(CH3)2	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(NCH)	N(C[5a]C[5a]N[5a])(CC3)(H)	C(NC[5a]H)(CCHH)(CH3)2	C[5a](C[5a]N[5a,6a]C[6a])(N[5a]C[5a,6a])(NCH){1|N<2>,3|C<3>}	125.5060	0.000	1	125.5060	0.000	1	125.5060	0.000	1	126.7467	1.294	4	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:4:4:	3:2:3:	C[5a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[5a]-3:O[5a]-2:N-3:	N(C[5a]C[5a]O[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NCH)	N(C[5a]C[5a]O[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NCH){2|C<3>}	127.1870	1.351	2	127.1870	1.824	2	127.1603	0.914	3	126.7467	1.294	4	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:4:4:	3:2:3:	C[5a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[5a]-3:O[5a]-2:N-3:	N(C[5a]C[5a]O[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(NCH)	N(C[5a]C[5a]O[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](C[5a]N[5a]C)(O[5a]C[5a])(NCH){1|C<3>}	127.1070	0.000	1	127.1070	0.000	1	127.1603	0.914	3	126.7467	1.294	4	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:4:4:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[5a,6]-3:N[5,5a]-3:N-3:	N(C[5a]C[5a,6]N[5,5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](C[5a,6]N[5a,6]C[6])(N[5,5a]C[5,5a]C[5])(NCH)	N(C[5a]C[5a,6]N[5,5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](C[5a,6]N[5a,6]C[6])(N[5,5a]C[5,5a]C[5])(NCH){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	120.2850	0.000	1	120.2850	0.000	1	120.2850	0.000	1	121.1650	8.877	20	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:4:4:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(NCH)	N(C[5a]C[5a]2)(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](C[5a]C[5a]C[6a])(C[5a]C[6a]N[5a])(NCH){1|C<4>,1|H<1>,4|C<3>}	121.8540	0.000	1	121.8540	0.000	1	119.9430	2.314	6	121.1650	8.877	20	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:4:4:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(NCH)	N(C[5a]C[5a]2)(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](C[5a]C[5a]C[6a])(C[5a]N[5a]N)(NCH){1|H<1>,3|C<3>}	118.8590	1.268	3	118.8590	1.607	3	119.9430	2.314	6	121.1650	8.877	20	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:4:4:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](C[5a]C[5a]Si)(C[5a]N[5a]N)(NCH)	N(C[5a]C[5a]2)(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](C[5a]C[5a]Si)(C[5a]N[5a]N)(NCH){1|C<3>,1|H<1>}	120.6135	0.531	2	120.6135	0.282	2	119.9430	2.314	6	121.1650	8.877	20	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:4:4:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(NCH)	N(C[5a]C[5a]N[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](C[5a]C[5,5a]C[6a])(N[5a]C[5,5a]C)(NCH){1|C<4>,3|C<3>}	120.2060	0.000	1	120.2060	0.000	1	121.9860	5.807	4	121.1650	8.877	20	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:4:4:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(NCH)	N(C[5a]C[5a]N[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C)(NCH){1|C<4>,3|C<3>}	121.3990	0.000	1	121.3990	0.000	1	121.9860	5.807	4	121.1650	8.877	20	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:4:4:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(NCH)	N(C[5a]C[5a]N[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(NCH){1|H<1>,5|C<3>}	120.8130	0.000	1	120.8130	0.000	1	121.9860	5.807	4	121.1650	8.877	20	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:4:4:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(NCH)	N(C[5a]C[5a]N[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](C[5a]C[5a]H)(N[5a]N[5a]S)(NCH){1|C<3>}	125.5260	0.000	1	125.5260	0.000	1	121.9860	5.807	4	121.1650	8.877	20	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:4:4:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	N[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]N[5a,6a]C[5a])(CC3)(H)	C(NC[5a]H)(CCHH)(CH3)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH)	N(C[5a]N[5a,6a]C[5a])(CC3)(H)	C(NC[5a]H)(CCHH)(CH3)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH){1|H<1>,1|N<2>,3|C<3>}	119.9320	0.000	1	119.9320	0.000	1	119.8497	1.889	3	121.1650	8.877	20	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:4:4:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	N[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]N[5a,6a]C[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH)	N(C[5a]N[5a,6a]C[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH){1|H<1>,4|C<3>}	119.8085	1.941	2	119.8085	3.768	2	119.8497	1.889	3	121.1650	8.877	20	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:4:4:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	N[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(NCH)	N(C[5a]C[5a]N[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](N[5a]C[5a,6a]C[6a])(C[5a]C[5a,6a]C)(NCH){4|C<3>}	131.4530	0.000	1	131.4530	0.000	1	122.6440	21.029	6	121.1650	8.877	20	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:4:4:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	N[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(NCH)	N(C[5a]C[5a]N[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(NCH){1|H<1>,3|C<3>}	120.9663	2.442	3	120.8822	3.007	5	122.6440	21.029	6	121.1650	8.877	20	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:4:4:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	N[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(NCH)	N(C[5a]C[5a]N[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](N[5a]C[5a]C[6a])(C[5a]C[5a]N)(NCH){1|Si<4>,1|H<1>,2|C<3>}	120.7560	0.212	2	120.8822	3.007	5	122.6440	21.029	6	121.1650	8.877	20	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:2:	3:1:1:1:	3:2:3:	C[5a]-3:C-4:N-2:	N-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(CH3)(NC)	C(NC[5a]N)(H)3	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NCN)	N(C[5a]N[5a]2)(CH3)(NC)	C(NC[5a]N)(H)3	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NCN){2|C<3>}	121.4500	0.575	7	121.4500	0.330	7	121.2317	0.518	9	121.2317	0.518	9	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:2:	3:1:1:1:	3:2:3:	C[5a]-3:C-4:N-2:	N-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(CH3)(NN)	C(NC[5a]N)(H)3	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCN)	N(C[5a]N[5a]2)(CH3)(NN)	C(NC[5a]N)(H)3	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCN)	120.4675	0.814	2	120.4675	0.662	2	121.2317	0.518	9	121.2317	0.518	9	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:2:	3:4:4:4:	3:3:3:	C[5a]-3:C-4:O-2:	N-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)(CC3)(OH)	C(NC[5a]O)(CH3)3	C[5a](C[5a]N[5a]H)2(NCO)	N(C[5a]C[5a]2)(CC3)(OH)	C(NC[5a]O)(CH3)3	C[5a](C[5a]N[5a]H)2(NCO){1|C<4>}	115.2815	0.200	2	115.2815	0.040	2	115.2815	0.040	2	115.2815	0.040	2	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:3:	3:1:1:1:	2:2:3:	C[5a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(CH3)(COO)	C(NC[5a]C)(H)3	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCC)	N(C[5a]N[5a]S[5a])(CH3)(COO)	C(NC[5a]C)(H)3	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCC){2|C<3>}	117.1245	0.896	2	117.1245	0.803	2	117.1245	0.803	2	119.4640	7.565	4	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:3:	3:1:1:1:	2:2:3:	C[5a]-3:C-4:N-3:	N-3:H-1:H-1:H-1:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(CH3)(NOO)	C(NC[5a]N)(H)3	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCN)	N(C[5a]N[5a]S[5a])(CH3)(NOO)	C(NC[5a]N)(H)3	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCN){2|H<1>}	121.8035	0.021	2	121.8035	0.000	2	121.8035	0.000	2	119.4640	7.565	4	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:3:	3:1:1:1:	3:2:3:	C[5a]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:N-3:	N(C[5a]C[5a]S[5a])(CH3)(CHH)	C(NC[5a]C)(H)3	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NCC)	N(C[5a]C[5a]S[5a])(CH3)(CHH)	C(NC[5a]C)(H)3	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NCC){1|C<3>,1|H<1>}	118.7750	0.000	1	118.7750	0.000	1	118.7750	0.000	1	119.7740	1.996	2	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:3:	3:1:1:1:	3:2:3:	C[5a]-3:C-4:N-3:	N-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(CH3)(NHH)	C(NC[5a]N)(H)3	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NCN)	N(C[5a]N[5a]2)(CH3)(NHH)	C(NC[5a]N)(H)3	C[5a](N[5a]N[5a]H)(N[5a]N[5a])(NCN)	120.7730	0.000	1	120.7730	0.000	1	120.7730	0.000	1	119.7740	1.996	2	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:3:	3:2:1:1:	3:2:3:	C[5a]-3:C-4:C-3:	N-3:C-2:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(CCHH)(CCO)	C(NC[5a]C)(CC)(H)2	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(NCC)	N(C[5a]N[5a]2)(CCHH)(CCO)	C(NC[5a]C)(CC)(H)2	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(NCC){1|H<1>}	116.6620	0.000	1	116.6620	0.000	1	116.6620	0.000	1	116.6620	0.000	1	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:3:	3:3:1:1:	2:2:3:	C[5a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(CC[6a]HH)(COO)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCC)	N(C[5a]N[5a]S[5a])(CC[6a]HH)(COO)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCC){1|B<4>,1|H<1>}	116.0100	0.188	2	116.0100	0.035	2	116.9680	2.771	3	116.9680	2.771	3	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:3:	3:3:1:1:	2:2:3:	C[5a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(CC[6a]HH)(COO)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[5a](N[5a]N[5a])(S[5a]C[5a])(NCC)	N(C[5a]N[5a]S[5a])(CC[6a]HH)(COO)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[5a](N[5a]N[5a])(S[5a]C[5a])(NCC){1|S<4>}	118.8840	0.000	1	118.8840	0.000	1	116.9680	2.771	3	116.9680	2.771	3	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:3:	3:3:1:1:	3:2:3:	C[5a]-3:C-4:C-3:	N-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(CCHH)(CCO)	C(NC[5a]C)(CCH)(H)2	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(NCC)	N(C[5a]N[5a]2)(CCHH)(CCO)	C(NC[5a]C)(CCH)(H)2	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(NCC){1|H<1>}	117.7510	0.000	1	117.7510	0.000	1	117.5335	0.095	2	121.2123	8.738	6	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:3:	3:3:1:1:	3:2:3:	C[5a]-3:C-4:C-3:	N-3:C-3:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(CCHH)(COO)	C(NC[5a]C)(CCH)(H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NCC)	N(C[5a]N[5a]2)(CCHH)(COO)	C(NC[5a]C)(CCH)(H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NCC){2|C<3>}	117.3160	0.000	1	117.3160	0.000	1	117.5335	0.095	2	121.2123	8.738	6	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:3:	3:3:1:1:	3:2:3:	C[5a]-3:C-4:N-3:	N-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(CHHN)(NOO)	C(NC[5a]N)2(H)2	C[5a](C[5a]N[5a]C)(N[5a]O[5a])(NCN)	N(C[5a]C[5a]N[5a])(CHHN)(NOO)	C(NC[5a]N)2(H)2	C[5a](C[5a]N[5a]C)(N[5a]O[5a])(NCN)	123.2925	1.620	2	123.2925	2.624	2	123.0517	0.997	4	121.2123	8.738	6	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:3:	3:3:1:1:	3:2:3:	C[5a]-3:C-4:N-3:	N-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(CHHN)(NOO)	C(NC[5a]N)2(H)2	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(NCN)	N(C[5a]C[5a]N[5a])(CHHN)(NOO)	C(NC[5a]N)2(H)2	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(NCN)	122.8110	0.369	2	122.8110	0.136	2	123.0517	0.997	4	121.2123	8.738	6	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:3:	3:3:1:1:	3:3:3:	C[5a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]C[5a,6a]C[5a])(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCC)	N(C[5a]C[5a,6a]C[5a])(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCC){2|H<1>,4|C<3>}	115.7260	0.000	1	115.7260	0.000	1	115.7260	0.000	1	117.5278	1.919	6	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:3:	3:3:1:1:	3:3:3:	C[5a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(NCC)	N(C[5a]C[5a]2)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(NCC){1|C<3>,1|H<1>}	116.2700	0.000	1	116.2700	0.000	1	116.8220	0.609	2	117.5278	1.919	6	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:3:	3:3:1:1:	3:3:3:	C[5a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)(CC[6a]HH)(CNO)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(NCC)	N(C[5a]C[5a]2)(CC[6a]HH)(CNO)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[5a](C[5a]C[5a]H)(C[5a]N[5a]C)(NCC){1|C<3>,1|H<1>}	117.3740	0.000	1	117.3740	0.000	1	116.8220	0.609	2	117.5278	1.919	6	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:3:	3:3:1:1:	3:3:3:	C[5a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	N[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCC)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCC){1|C<4>,2|C<3>}	118.5990	0.806	3	118.5990	0.650	3	118.5990	0.650	3	117.5278	1.919	6	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:3:	3:4:1:1:	3:2:3:	C[5a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(CCHH)(CCO)	C(NC[5a]C)(CCHH)(H)2	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(NCC)	N(C[5a]N[5a]2)(CCHH)(CCO)	C(NC[5a]C)(CCHH)(H)2	C[5a](N[5a]C[5a]N)(N[5a]N[5a])(NCC){1|H<1>}	116.9760	0.000	1	116.9760	0.000	1	116.9760	0.000	1	119.5330	13.076	2	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:3:	3:4:1:1:	3:2:3:	C[5a]-3:C-4:N-3:	N-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(CCHH)(NOO)	C(NC[5a]N)(CHHN)(H)2	C[5a](C[5a]C[5a]N[5a])(N[5a]O[5a])(NCN)	N(C[5a]C[5a]N[5a])(CCHH)(NOO)	C(NC[5a]N)(CHHN)(H)2	C[5a](C[5a]C[5a]N[5a])(N[5a]O[5a])(NCN){2|N<2>}	122.0900	0.000	1	122.0900	0.000	1	122.0900	0.000	1	119.5330	13.076	2	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:3:	3:4:1:1:	3:3:3:	C[5a]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]C[5a,6a]C[5a])(CCHH)(CCO)	C(NC[5a]C)(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(NCC)	N(C[5a]C[5a,6a]C[5a])(CCHH)(CCO)	C(NC[5a]C)(CCHH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a]C[6a]O[5a])(NCC){5|C<3>}	117.6210	0.000	1	117.6210	0.000	1	117.6210	0.000	1	117.6210	0.000	1	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:3:	3:4:3:1:	3:3:3:	C[5a]-3:C-4:C-3:	C[6a]-3:C-4:N-3:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]C[5a,6a]C[5a])(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]HH)(NC[5a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(NCC)	N(C[5a]C[5a,6a]C[5a])(CC[6a]CH)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]HH)(NC[5a]C)(H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]O[5a])(NCC){1|H<1>,4|C<3>}	117.3980	0.000	1	117.3980	0.000	1	117.3980	0.000	1	117.3980	0.000	1	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:3:	3:4:4:1:	3:2:3:	C[5a]-3:C-4:N-3:	N-3:C-4:C-4:H-1:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(CCCH)(NOO)	C(NC[5a]N)(CH3)2(H)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCN)	N(C[5a]N[5a]2)(CCCH)(NOO)	C(NC[5a]N)(CH3)2(H)	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCN)	122.9530	0.000	1	122.9530	0.000	1	122.9530	0.000	1	122.9530	0.000	1	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:3:	3:4:4:4:	3:2:3:	C[5a]-3:C-4:C-3:	N-3:C-4:C-4:C-4:	C[5a]-3:O[5a]-2:N-3:	N(C[5a]C[5a]O[5a])(CC3)(CCO)	C(NC[5a]C)(CH3)3	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NCC)	N(C[5a]C[5a]O[5a])(CC3)(CCO)	C(NC[5a]C)(CH3)3	C[5a](C[5a]C[5a]C)(O[5a]C[5a])(NCC){1|H<1>,1|O<2>}	118.5030	0.000	1	118.5030	0.000	1	118.5030	0.000	1	118.5030	0.000	1	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:3:	4:3:1:1:	3:2:3:	C[5a]-3:C-4:C-3:	C[5]-4:N-3:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(CC[5]HH)(COO)	C(C[5]C[5]2Fe)(NC[5a]C)(H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NCC)	N(C[5a]N[5a]2)(CC[5]HH)(COO)	C(C[5]C[5]2Fe)(NC[5a]C)(H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NCC){2|C<3>}	117.5290	0.000	1	117.5290	0.000	1	116.7445	1.231	2	116.7445	1.231	2	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:3:	4:3:1:1:	3:2:3:	C[5a]-3:C-4:C-3:	C[5]-4:N-3:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(CC[5]HH)(COO)	C(C[5]C[5]2Ru)(NC[5a]C)(H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NCC)	N(C[5a]N[5a]2)(CC[5]HH)(COO)	C(C[5]C[5]2Ru)(NC[5a]C)(H)2	C[5a](N[5a]C[5a,6a]H)(N[5a]C[5a,6a])(NCC){2|C<3>}	115.9600	0.000	1	115.9600	0.000	1	116.7445	1.231	2	116.7445	1.231	2	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	2:2:3:	C[5a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5a]-2:O[5a]-2:N-3:	N(C[5a]N[5a]O[5a])(CH3)2	C(NC[5a]C)(H)3	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(NCC)	N(C[5a]N[5a]O[5a])(CH3)2	C(NC[5a]C)(H)3	C[5a](N[5a]C[5a,6])(O[5a]C[5a,6])(NCC){1|C<3>,1|N<3>}	121.1110	2.154	2	121.1110	4.639	2	120.7553	2.257	10	120.4100	1.624	24	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	2:2:3:	C[5a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5a]-2:O[5a]-2:N-3:	N(C[5a]N[5a]O[5a])(CH3)2	C(NC[5a]C)(H)3	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCC)	N(C[5a]N[5a]O[5a])(CH3)2	C(NC[5a]C)(H)3	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCC){1|C<3>,1|N<2>}	120.9570	1.487	4	120.6664	2.194	8	120.7553	2.257	10	120.4100	1.624	24	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	2:2:3:	C[5a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5a]-2:O[5a]-2:N-3:	N(C[5a]N[5a]O[5a])(CH3)2	C(NC[5a]C)(H)3	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCC)	N(C[5a]N[5a]O[5a])(CH3)2	C(NC[5a]C)(H)3	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCC){2|C<3>}	120.3757	1.639	4	120.6664	2.194	8	120.7553	2.257	10	120.4100	1.624	24	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	2:2:3:	C[5a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(CH3)2	C(NC[5a]C)(H)3	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCC)	N(C[5a]N[5a]S[5a])(CH3)2	C(NC[5a]C)(H)3	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCC){1|C<3>,1|N<2>}	120.7815	1.715	2	120.7815	2.940	2	120.1633	1.153	14	120.4100	1.624	24	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	2:2:3:	C[5a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(CH3)2	C(NC[5a]C)(H)3	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCC)	N(C[5a]N[5a]S[5a])(CH3)2	C(NC[5a]C)(H)3	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCC){1|C<4>,1|P<3>}	119.9778	1.123	8	120.0602	1.014	12	120.1633	1.153	14	120.4100	1.624	24	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	2:2:3:	C[5a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(CH3)2	C(NC[5a]C)(H)3	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCC)	N(C[5a]N[5a]S[5a])(CH3)2	C(NC[5a]C)(H)3	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCC){2|C<3>}	120.2253	0.851	4	120.0602	1.014	12	120.1633	1.153	14	120.4100	1.624	24	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	3:2:3:	C[5a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:N-3:	N(C[5a]C[5a]S[5a])(CCHH)(CH3)	C(NC[5a]C)(H)3	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NCC)	N(C[5a]C[5a]S[5a])(CCHH)(CH3)	C(NC[5a]C)(H)3	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NCC){1|C<3>,1|H<1>}	119.4515	0.111	2	119.4515	0.012	2	120.2144	1.366	16	119.5422	2.546	33	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	3:2:3:	C[5a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:N-3:	N(C[5a]C[5a]S[5a])(CH3)2	C(NC[5a]C)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCC)	N(C[5a]C[5a]S[5a])(CH3)2	C(NC[5a]C)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCC){2|C<2>}	120.9900	0.570	2	120.6190	3.165	4	120.2144	1.366	16	119.5422	2.546	33	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	3:2:3:	C[5a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:N-3:	N(C[5a]C[5a]S[5a])(CH3)2	C(NC[5a]C)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCC)	N(C[5a]C[5a]S[5a])(CH3)2	C(NC[5a]C)(H)3	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCC){2|C<3>}	120.2480	2.936	2	120.6190	3.165	4	120.2144	1.366	16	119.5422	2.546	33	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	3:2:3:	C[5a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5a]-3:S[5a]-2:N-3:	N(C[5a]C[5a]S[5a])(CH3)2	C(NC[5a]C)(H)3	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NCC)	N(C[5a]C[5a]S[5a])(CH3)2	C(NC[5a]C)(H)3	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NCC){1|C<3>,1|H<1>}	120.2052	1.009	10	120.2052	1.018	10	120.2144	1.366	16	119.5422	2.546	33	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	3:2:3:	C[5a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(CH3)2	C(NC[5a]C)(H)3	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCC)	N(C[5a]N[5a]2)(CH3)2	C(NC[5a]C)(H)3	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCC){1|C<3>}	119.9269	1.060	8	119.6636	1.887	12	119.6636	1.887	12	119.5422	2.546	33	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	3:2:3:	C[5a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(CH3)2	C(NC[5a]C)(H)3	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCC)	N(C[5a]N[5a]2)(CH3)2	C(NC[5a]C)(H)3	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCC){1|C<4>}	119.1370	1.934	4	119.6636	1.887	12	119.6636	1.887	12	119.5422	2.546	33	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	3:2:3:	C[5a]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(SCOO)(CH3)	C(NC[5a]S)(H)3	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(NCS)	N(C[5a]C[5a]N[5a])(SCOO)(CH3)	C(NC[5a]S)(H)3	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(NCS){1|H<1>,3|C<3>}	116.2370	0.000	1	116.2370	0.000	1	116.4375	0.080	2	119.5422	2.546	33	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	3:2:3:	C[5a]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CH3)	C(NC[5a]S)(H)3	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(NCS)	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CH3)	C(NC[5a]S)(H)3	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a])(NCS){1|C<4>,2|C<3>}	116.6380	0.000	1	116.6380	0.000	1	116.4375	0.080	2	119.5422	2.546	33	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	3:2:3:	C[5a]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:N-3:	N(C[5a]C[5a]O[5a])(SCOO)(CH3)	C(NC[5a]S)(H)3	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NCS)	N(C[5a]C[5a]O[5a])(SCOO)(CH3)	C(NC[5a]S)(H)3	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NCS){2|C<3>,2|C<4>}	117.1325	0.653	2	117.1325	0.426	2	117.5407	0.713	3	119.5422	2.546	33	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	3:2:3:	C[5a]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:N-3:	N(C[5a]C[5a]O[5a])(SCOO)(CH3)	C(NC[5a]S)(H)3	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(NCS)	N(C[5a]C[5a]O[5a])(SCOO)(CH3)	C(NC[5a]S)(H)3	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(NCS){3|C<3>}	118.3570	0.000	1	118.3570	0.000	1	117.5407	0.713	3	119.5422	2.546	33	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	3:3:3:	C[5a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)(CH3)2	C(NC[5a]C)(H)3	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NCC)	N(C[5a]C[5a]2)(CH3)2	C(NC[5a]C)(H)3	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NCC){1|C<4>,2|C<3>}	115.6795	1.580	2	115.6795	2.498	2	115.6795	2.498	2	118.3496	9.281	17	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	3:3:3:	C[5a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(CH3)2	C(NC[5a]C)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(NCC)	N(C[5a]C[5a]N[5a])(CH3)2	C(NC[5a]C)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(NCC){1|C<3>,1|C<4>}	118.0293	1.954	4	118.0293	3.819	4	118.0293	3.819	4	118.3496	9.281	17	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	3:3:3:	C[5a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5a,6]-3:C[5a]-3:N-3:	N(C[5a]N[5a,6]C[5a])(CH3)2	C(NC[5a]C)(H)3	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(NCC)	N(C[5a]N[5a,6]C[5a])(CH3)2	C(NC[5a]C)(H)3	C[5a](N[5a,6]C[5a,6]B[6])(C[5a]C[5a]H)(NCC){1|C<3>,1|H<1>,1|N<3>,2|F<1>}	123.2355	5.177	2	123.2355	26.799	2	123.2355	26.799	2	118.3496	9.281	17	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	3:3:3:	C[5a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CH3)	C(NC[5a]C)(H)3	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCC)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CH3)	C(NC[5a]C)(H)3	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCC){1|C<4>,2|C<3>}	121.6990	0.000	1	121.6990	0.000	1	120.5765	2.520	2	118.3496	9.281	17	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	3:3:3:	C[5a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CH3)	C(NC[5a]C)(H)3	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(NCC)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CH3)	C(NC[5a]C)(H)3	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(NCC){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	119.4540	0.000	1	119.4540	0.000	1	120.5765	2.520	2	118.3496	9.281	17	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	3:3:3:	C[5a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-3:N-3:	N(C[5a]N[5a]2)(CH3)2	C(NC[5a]C)(H)3	C[5a](N[5a]B[5a]C)(N[5a]C[5a]C)(NCC)	N(C[5a]N[5a]2)(CH3)2	C(NC[5a]C)(H)3	C[5a](N[5a]B[5a]C)(N[5a]C[5a]C)(NCC){1|C<3>,1|C<4>,1|N<2>}	116.2615	2.986	2	116.2615	8.917	2	116.2615	8.917	2	118.3496	9.281	17	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	3:3:3:	C[5a]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(SCOO)(CH3)	C(NC[5a]S)(H)3	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(NCS)	N(C[5a]C[5a]N[5a])(SCOO)(CH3)	C(NC[5a]S)(H)3	C[5a](C[5a]C[6a]N[5a])(N[5a]N[5a]C)(NCS){2|C<3>}	120.3630	0.000	1	120.3630	0.000	1	117.6642	3.225	5	118.3496	9.281	17	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	3:3:3:	C[5a]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CH3)	C(NC[5a]S)(H)3	C[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C)(NCS)	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CH3)	C(NC[5a]S)(H)3	C[5a](C[5a]C[5a,6a]Cl)(N[5a]C[5a,6a]C)(NCS){1|C<3>,1|N<2>}	118.2570	0.000	1	118.2570	0.000	1	117.6642	3.225	5	118.3496	9.281	17	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	3:3:3:	C[5a]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CH3)	C(NC[5a]S)(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(NCS)	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CH3)	C(NC[5a]S)(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(NCS){1|C<3>,1|N<2>}	117.0860	0.191	2	116.5670	0.826	3	117.6642	3.225	5	118.3496	9.281	17	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	3:3:3:	C[5a]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CH3)	C(NC[5a]S)(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(NCS)	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CH3)	C(NC[5a]S)(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(NCS){2|C<3>}	115.5290	0.000	1	116.5670	0.826	3	117.6642	3.225	5	118.3496	9.281	17	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:2:1:1:	3:2:3:	C[5a]-3:C-4:C-4:	N-3:O-2:H-1:H-1:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(CHHO)2	C(NC[5a]C)(OO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(NCC)	N(C[5a]C[5a]N[5a])(CHHO)2	C(NC[5a]C)(OO)(H)2	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(NCC){1|C<4>}	120.0475	1.033	2	120.0475	1.067	2	120.0475	1.067	2	120.0475	1.067	2	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:3:1:1:	2:2:3:	C[5a]-3:C-4:C-4:	C[5a]-3:N-3:H-1:H-1:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(CC[5a]HH)2	C(C[5a]C[5a]N[5a])(NC[5a]C)(H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCC)	N(C[5a]N[5a]S[5a])(CC[5a]HH)2	C(C[5a]C[5a]N[5a])(NC[5a]C)(H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCC){2|C<3>}	120.9375	2.497	2	120.9375	6.234	2	120.9375	6.234	2	120.9276	2.549	5	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:3:1:1:	2:2:3:	C[5a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	N[5a]-2:O[5a]-2:N-3:	N(C[5a]N[5a]O[5a])(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCC)	N(C[5a]N[5a]O[5a])(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCC){2|C<3>}	122.0050	0.000	1	122.0050	0.000	1	122.0050	0.000	1	120.9276	2.549	5	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:3:1:1:	2:2:3:	C[5a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[5a](N[5a]N[5a])(S[5a]C[5a])(NCC)	N(C[5a]N[5a]S[5a])(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[5a](N[5a]N[5a])(S[5a]C[5a])(NCC){1|H<1>}	120.3790	1.484	2	120.3790	2.201	2	120.3790	2.201	2	120.9276	2.549	5	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:3:1:1:	3:2:3:	C[5a]-3:C-4:C-4:	N-3:C-3:H-1:H-1:	C[5a]-3:S[5a]-2:N-3:	N(C[5a]C[5a]S[5a])(CCHH)2	C(NC[5a]C)(COO)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCC)	N(C[5a]C[5a]S[5a])(CCHH)2	C(NC[5a]C)(COO)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCC){1|C<3>,1|C<4>}	120.7325	1.555	2	120.7325	2.418	2	120.7325	2.418	2	120.7325	2.418	2	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:3:1:1:	3:3:3:	C[5a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	N[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCC)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCC){1|C<4>,2|C<3>}	119.5730	0.000	1	119.5730	0.000	1	120.1735	0.721	2	117.9196	6.518	10	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:3:1:1:	3:3:3:	C[5a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	N[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(NCC)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C[5])(NCC){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	120.7740	0.000	1	120.7740	0.000	1	120.1735	0.721	2	117.9196	6.518	10	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:3:1:1:	3:3:3:	C[5a]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]C[5a,6a]C[5a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[5a]S)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NCS)	N(C[5a]C[5a,6a]C[5a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[5a]S)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NCS){1|H<1>,2|C<3>}	118.2410	3.369	2	118.2410	11.348	2	118.2410	11.348	2	117.9196	6.518	10	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:3:1:1:	3:3:3:	C[5a]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[5a]S)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NCS)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[5a]S)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NCS){2|H<1>}	116.3730	0.000	1	116.3730	0.000	1	116.3730	0.000	1	117.9196	6.518	10	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:3:1:1:	3:3:3:	C[5a]-3:S-4:C-4:	C-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCHH)	C(CC[6a]O)(NC[5a]S)(H)2	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(NCS)	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCHH)	C(CC[6a]O)(NC[5a]S)(H)2	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(NCS){2|C<3>}	118.3900	0.000	1	118.3900	0.000	1	118.3900	0.000	1	117.9196	6.518	10	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:3:1:1:	3:3:3:	C[5a]-3:S-4:C-4:	N-3:C-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(CCHH)	C(NC[5a]S)(CCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NCS)	N(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(CCHH)	C(NC[5a]S)(CCH)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NCS){1|H<1>,2|C<3>}	120.7690	0.000	1	120.7690	0.000	1	120.7690	0.000	1	117.9196	6.518	10	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:3:1:1:	3:3:3:	C[5a]-3:S-4:C-4:	N-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCHH)	C(NC[5a]S)(CCC)(H)2	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(NCS)	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCHH)	C(NC[5a]S)(CCC)(H)2	C[5a](C[5a]C[5a,6a]Br)(N[5a]C[5a,6a]C)(NCS){2|C<3>}	118.1110	0.000	1	118.1110	0.000	1	115.6117	4.758	3	117.9196	6.518	10	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:3:1:1:	3:3:3:	C[5a]-3:S-4:C-4:	N-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCHH)	C(NC[5a]S)(CCH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(NCS)	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCHH)	C(NC[5a]S)(CCH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]C)(NCS){2|C<3>}	114.6330	0.000	1	114.6330	0.000	1	115.6117	4.758	3	117.9196	6.518	10	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:3:1:1:	3:3:3:	C[5a]-3:S-4:C-4:	N-3:C-3:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCHH)	C(NC[5a]S)(CCH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(NCS)	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCHH)	C(NC[5a]S)(CCH)(H)2	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(NCS){2|C<3>}	114.0910	0.000	1	114.0910	0.000	1	115.6117	4.758	3	117.9196	6.518	10	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:4:1:1:	2:2:3:	C[5a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[5a]-2:O[5a]-2:N-3:	N(C[5a]N[5a]O[5a])(CC[6a]HH)(CCHH)	C(NC[5a]C)(CCHH)(H)2	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCC)	N(C[5a]N[5a]O[5a])(CC[6a]HH)(CCHH)	C(NC[5a]C)(CCHH)(H)2	C[5a](N[5a]C[5a,6a])(O[5a]C[5a,6a])(NCC){2|C<3>}	117.7220	0.000	1	117.7220	0.000	1	117.7220	0.000	1	117.7220	0.000	1	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[5a]-3:O[5a]-2:N-3:	N(C[5a]C[5a]O[5a])(CCHH)2	C(NC[5a]C)(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NCC)	N(C[5a]C[5a]O[5a])(CCHH)2	C(NC[5a]C)(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C)(O[5a]C[5a,6a])(NCC){2|C<3>}	120.8850	0.548	4	120.8850	0.300	4	120.5755	0.294	10	120.4448	2.879	33	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[5a]-3:O[5a]-2:N-3:	N(C[5a]C[5a]O[5a])(CCHH)2	C(NC[5a]C)(CH3)(H)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NCC)	N(C[5a]C[5a]O[5a])(CCHH)2	C(NC[5a]C)(CH3)(H)2	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(NCC){4|C<3>}	120.2767	0.458	4	120.2767	0.210	4	120.5755	0.294	10	120.4448	2.879	33	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[5a]-3:O[5a]-2:N-3:	N(C[5a]C[5a]O[5a])(CCHH)2	C(NC[5a]C)(CH3)(H)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NCC)	N(C[5a]C[5a]O[5a])(CCHH)2	C(NC[5a]C)(CH3)(H)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NCC){1|C<3>,1|H<1>}	120.5540	0.615	2	120.5540	0.378	2	120.5755	0.294	10	120.4448	2.879	33	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:N-3:	N(C[5a]C[5a]S[5a])(CCHH)(CH3)	C(NC[5a]C)(CHHO)(H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NCC)	N(C[5a]C[5a]S[5a])(CCHH)(CH3)	C(NC[5a]C)(CHHO)(H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NCC){1|C<3>,1|H<1>}	122.5105	0.359	2	122.5105	0.129	2	120.7571	3.296	20	120.4448	2.879	33	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:N-3:	N(C[5a]C[5a]S[5a])(CCHH)2	C(NC[5a]C)(CCHH)(H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NCC)	N(C[5a]C[5a]S[5a])(CCHH)2	C(NC[5a]C)(CCHH)(H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NCC){1|C<3>,1|H<1>}	121.0568	1.236	10	121.0568	1.527	10	120.7571	3.296	20	120.4448	2.879	33	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:N-3:	N(C[5a]C[5a]S[5a])(CCHH)2	C(NC[5a]C)(CH3)(H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NCC)	N(C[5a]C[5a]S[5a])(CCHH)2	C(NC[5a]C)(CH3)(H)2	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(NCC){1|C<3>,1|H<1>}	119.6637	2.109	6	119.6637	4.450	6	120.7571	3.296	20	120.4448	2.879	33	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[5a]-3:S[5a]-2:N-3:	N(C[5a]C[5a]S[5a])(CCHH)2	C(NC[5a]C)(CH3)(H)2	C[5a](C[5a]N[5a]C)(S[5a]N[5a])(NCC)	N(C[5a]C[5a]S[5a])(CCHH)2	C(NC[5a]C)(CH3)(H)2	C[5a](C[5a]N[5a]C)(S[5a]N[5a])(NCC)	120.7850	3.506	2	120.7850	12.291	2	120.7571	3.296	20	120.4448	2.879	33	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C-4:S-4:	N-3:C-4:H-1:H-1:	C[5a]-3:O[5a]-2:N-3:	N(C[5a]C[5a]O[5a])(CCHH)(SCOO)	C(NC[5a]S)(CCHH)(H)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NCS)	N(C[5a]C[5a]O[5a])(CCHH)(SCOO)	C(NC[5a]S)(CCHH)(H)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NCS){2|C<3>,2|C<4>}	117.0305	0.947	2	117.0305	0.896	2	117.9280	2.865	3	120.4448	2.879	33	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C-4:S-4:	N-3:C-4:H-1:H-1:	C[5a]-3:O[5a]-2:N-3:	N(C[5a]C[5a]O[5a])(CCHH)(SCOO)	C(NC[5a]S)(CCHH)(H)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NCS)	N(C[5a]C[5a]O[5a])(CCHH)(SCOO)	C(NC[5a]S)(CCHH)(H)2	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NCS){1|C<4>,1|H<1>}	119.7230	0.000	1	119.7230	0.000	1	117.9280	2.865	3	120.4448	2.879	33	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:4:1:1:	3:3:3:	C[5a]-3:S-4:C-4:	N-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(CCHH)	C(NC[5a]S)(CC3)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NCS)	N(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(CCHH)	C(NC[5a]S)(CC3)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NCS){1|H<1>,2|C<3>}	120.9715	0.743	2	120.9715	0.552	2	120.9715	0.552	2	120.9972	0.497	4	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:4:1:1:	3:3:3:	C[5a]-3:S-4:C-4:	N-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCHH)	C(NC[5a]S)(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(NCS)	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCHH)	C(NC[5a]S)(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(NCS){1|N<3>,3|C<3>}	121.0230	0.967	2	121.0230	0.936	2	121.0230	0.936	2	120.9972	0.497	4	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:4:4:1:	3:3:3:	C[5a]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)(CCCH)2	C(NC[5a]C)(CH3)2(H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(NCC)	N(C[5a]C[5a]2)(CCCH)2	C(NC[5a]C)(CH3)2(H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]H)(NCC){3|C<3>}	112.4080	0.775	2	112.4080	0.601	2	112.4080	0.601	2	114.7863	17.270	3	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	3:4:4:1:	3:3:3:	C[5a]-3:S-4:C-4:	N-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCCH)	C(NC[5a]S)(CH3)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NCS)	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCCH)	C(NC[5a]S)(CH3)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NCS){2|H<1>}	119.5430	0.000	1	119.5430	0.000	1	119.5430	0.000	1	114.7863	17.270	3	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	4:3:1:1:	2:2:3:	C[5a]-3:C-4:C-4:	C-4:N-3:H-1:H-1:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(CC[5]HH)(CCHH)	C(CC[6a]HH)(NC[5a]C)(H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCC)	N(C[5a]N[5a]S[5a])(CC[5]HH)(CCHH)	C(CC[6a]HH)(NC[5a]C)(H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCC){2|C<3>}	120.8340	0.048	2	120.8340	0.002	2	120.8340	0.002	2	120.0048	1.521	4	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	4:3:1:1:	2:2:3:	C[5a]-3:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(CC[5]HH)(CCHH)	C(C[5]C[5]2Fe)(NC[5a]C)(H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCC)	N(C[5a]N[5a]S[5a])(CC[5]HH)(CCHH)	C(C[5]C[5]2Fe)(NC[5a]C)(H)2	C[5a](N[5a]C[5a,6a])(S[5a]C[5a,6a])(NCC){2|C<3>}	119.1755	1.346	2	119.1755	1.811	2	119.1755	1.811	2	120.0048	1.521	4	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP2_SP2_SP3	N	C	C[5a]	3:4:4:	4:3:1:1:	3:3:3:	C[5a]-3:S-4:C-4:	C[3]-4:N-3:H-1:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(CC[3]HH)	C(C[3]C[3]O[3]H)(NC[5a]S)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NCS)	N(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(CC[3]HH)	C(C[3]C[3]O[3]H)(NC[5a]S)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]O[5a]C)(NCS){1|H<1>,2|C<3>}	120.2580	0.000	1	120.2580	0.000	1	120.2580	0.000	1	120.2580	0.000	1	120.0468	7.753	302	120.0468	7.753	302
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:3:4:	3:4:1:1:	3:3:3:	C[5a]-3:C[6a]-3:C-4:	N-3:C-4:H-1:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)	C(NC[5a]C[6a])(CCHO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NC[6a]C)	N(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCHH)	C(NC[5a]C[6a])(CCHO)(H)2	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]N)(NC[6a]C){1|C<4>,1|H<1>,2|C<3>}	116.3570	0.000	1	116.3570	0.000	1	116.3570	0.000	1	116.3570	0.000	1	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:1:	3:1:1:1:	3:2:3:	C[5a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(CH3)(H)	C(NC[5a]H)(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCH)	N(C[5a]N[5a]2)(CH3)(H)	C(NC[5a]H)(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCH){2|C<3>}	118.5350	0.000	1	118.5350	0.000	1	118.5350	0.000	1	118.5350	0.000	1	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:1:	3:1:1:1:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)(CH3)(H)	C(NC[5a]H)(H)3	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NCH)	N(C[5a]C[5a]2)(CH3)(H)	C(NC[5a]H)(H)3	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NCH){3|C<3>}	117.3285	0.422	2	117.3285	0.178	2	117.3285	0.178	2	119.8424	6.219	5	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:1:	3:1:1:1:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(CH3)(H)	C(NC[5a]H)(H)3	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[5])(NCH)	N(C[5a]C[5a]N[5a])(CH3)(H)	C(NC[5a]H)(H)3	C[5a](C[5a]C[5a]C[6a])(N[5a]N[5a]C[5])(NCH){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	121.5183	1.348	3	121.5183	1.817	3	121.5183	1.817	3	119.8424	6.219	5	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:1:	3:3:1:1:	3:3:3:	C[5a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NCH)	N(C[5a]C[5a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NCH){3|C<3>}	116.1860	0.000	1	116.1860	0.000	1	116.1860	0.000	1	117.2386	1.620	5	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:1:	3:3:1:1:	3:3:3:	C[5a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCH)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCH){1|C<4>,2|C<3>}	117.5018	1.303	4	117.5018	1.699	4	117.5018	1.699	4	117.2386	1.620	5	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:1:	3:3:4:1:	2:2:3:	C[5a]-3:C-4:H-1:	C[6a]-3:N-3:P-4:H-1:	N[5a]-2:O[5a]-2:N-3:	N(C[5a]N[5a]O[5a])(CC[6a]HP)(H)	C(C[6a]C[6a]2)(NC[5a]H)(PO3)(H)	C[5a](N[5a]N[5a])(O[5a]C[5a])(NCH)	N(C[5a]N[5a]O[5a])(CC[6a]HP)(H)	C(C[6a]C[6a]2)(NC[5a]H)(PO3)(H)	C[5a](N[5a]N[5a])(O[5a]C[5a])(NCH){1|C<3>}	117.2750	0.066	2	117.2750	0.004	2	117.2750	0.004	2	118.7200	6.266	3	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:1:	3:3:4:1:	2:2:3:	C[5a]-3:C-4:H-1:	N-3:N-3:C-4:H-1:	N[5a]-2:S[5a]-2:N-3:	N(C[5a]N[5a]S[5a])(CCHN)(H)	C(NC[5a]H)2(CCHO)(H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH)	N(C[5a]N[5a]S[5a])(CCHN)(H)	C(NC[5a]H)2(CCHO)(H)	C[5a](N[5a]C[5a])(S[5a]C[5a])(NCH){2|H<1>}	121.6100	0.000	1	121.6100	0.000	1	121.6100	0.000	1	118.7200	6.266	3	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:1:	3:3:4:1:	3:3:3:	C[5a]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	N[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(CCHH)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(NCH)	N(C[5a]C[5a]N[5a])(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[5a]H)(CCHH)(H)	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]N)(NCH){1|C<4>,2|C<3>}	117.5475	1.838	2	117.5475	3.377	2	117.5475	3.377	2	117.5475	3.377	2	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:1:1:	2:2:3:	C[5a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[5a]-2:N[5a]-2:N-3:	N(C[5a]N[5a]2)(CCHH)(H)	C(NC[5a]H)(CN3)(H)2	C[5a](N[5a]C[5a])(N[5a]O[5a])(NCH)	N(C[5a]N[5a]2)(CCHH)(H)	C(NC[5a]H)(CN3)(H)2	C[5a](N[5a]C[5a])(N[5a]O[5a])(NCH){1|N<3>}	120.0900	0.000	1	120.0900	0.000	1	120.0900	0.000	1	120.0900	0.000	1	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:1:1:	3:2:3:	C[5a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(CCHH)(H)	C(NC[5a]H)(CN3)(H)2	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(NCH)	N(C[5a]C[5a]N[5a])(CCHH)(H)	C(NC[5a]H)(CN3)(H)2	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(NCH)	121.2560	0.000	1	121.2560	0.000	1	121.2560	0.000	1	120.8605	0.313	2	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:1:1:	3:2:3:	C[5a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(CCHH)(H)	C(NC[5a]H)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(NCH)	N(C[5a]N[5a]2)(CCHH)(H)	C(NC[5a]H)(CCHH)(H)2	C[5a](N[5a]C[5a]C)(N[5a]N[5a])(NCH){1|C<3>}	120.4650	0.000	1	120.4650	0.000	1	120.4650	0.000	1	120.8605	0.313	2	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:1:1:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)(CCHH)(H)	C(NC[5a]H)(CH3)(H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NCH)	N(C[5a]C[5a]2)(CCHH)(H)	C(NC[5a]H)(CH3)(H)2	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NCH){3|C<3>}	114.7730	0.000	1	114.7730	0.000	1	114.7730	0.000	1	114.7730	0.000	1	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:4:4:	3:2:3:	C[5a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NCH)	N(C[5a]N[5a]2)(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](N[5a]C[6a]N[5a])(N[5a]N[5a])(NCH){2|C<3>}	123.6380	0.000	1	123.6380	0.000	1	123.6380	0.000	1	123.6380	0.000	1	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:4:4:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[5a,5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a,5a]C[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]N)(NCH)	N(C[5a]C[5a,5a]C[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](C[5a,5a]C[5a,5a]N[5a])(C[5a]N[5a]N)(NCH){2|C<3>,2|C<4>}	115.6600	0.000	1	115.6600	0.000	1	115.6600	0.000	1	119.5037	5.009	8	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:4:4:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[5a,6]-3:N[5,5a]-3:N-3:	N(C[5a]C[5a,6]N[5,5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](C[5a,6]N[5a,6]C[6])(N[5,5a]C[5,5a]C[5])(NCH)	N(C[5a]C[5a,6]N[5,5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](C[5a,6]N[5a,6]C[6])(N[5,5a]C[5,5a]C[5])(NCH){1|S<2>,2|C<3>,2|C<4>,2|H<1>}	122.9980	0.000	1	122.9980	0.000	1	122.9980	0.000	1	119.5037	5.009	8	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:4:4:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]C[5a,6a]C[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(NCH)	N(C[5a]C[5a,6a]C[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]S[5a])(NCH){1|H<1>,1|S<2>,3|C<3>}	120.5180	0.000	1	120.5180	0.000	1	120.5180	0.000	1	119.5037	5.009	8	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:4:4:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(NCH)	N(C[5a]C[5a]N[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]C[6a])(NCH){1|H<1>,5|C<3>}	121.2470	0.000	1	121.2470	0.000	1	121.2470	0.000	1	119.5037	5.009	8	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:4:4:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	N[5a,5a]-3:C[5a]-3:N-3:	N(C[5a]N[5a,5a]C[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])(NCH)	N(C[5a]N[5a,5a]C[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](N[5a,5a]C[5a,5a]C[5a,6a])(C[5a]C[6a]N[5a])(NCH){1|N<3>,4|C<3>}	118.7700	0.000	1	118.7700	0.000	1	118.7700	0.000	1	119.5037	5.009	8	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:4:4:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	N[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]N[5a,6a]C[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH)	N(C[5a]N[5a,6a]C[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH){1|C<4>,4|C<3>}	118.3590	0.000	1	119.3015	1.777	2	118.9457	1.268	3	119.5037	5.009	8	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:4:4:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	N[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]N[5a,6a]C[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH)	N(C[5a]N[5a,6a]C[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH){1|H<1>,4|C<3>}	120.2440	0.000	1	119.3015	1.777	2	118.9457	1.268	3	119.5037	5.009	8	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:1:	3:4:4:4:	3:3:3:	C[5a]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	N[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]N[5a,6a]C[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(NCH)	N(C[5a]N[5a,6a]C[5a])(CC3)(H)	C(NC[5a]H)(CH3)3	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]N[5a]C)(NCH){1|H<1>,2|C<3>}	118.2340	0.000	1	118.2340	0.000	1	118.9457	1.268	3	119.5037	5.009	8	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:1:	4:3:1:1:	3:3:3:	C[5a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	N[5a,6a]-3:C[5a]-3:N-3:	N(C[5a]N[5a,6a]C[5a])(CCHH)(H)	C(CC[6a]HH)(NC[5a]H)(H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH)	N(C[5a]N[5a,6a]C[5a])(CCHH)(H)	C(CC[6a]HH)(NC[5a]H)(H)2	C[5a](N[5a,6a]C[5a,6a]C[6a])(C[5a]C[6a]N[5a])(NCH){1|Br<1>,4|C<3>}	116.8480	0.000	1	116.8480	0.000	1	116.8480	0.000	1	116.8480	0.000	1	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:2:	3:1:1:1:	3:2:3:	C[5a]-3:C-4:N-2:	N-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(CH3)(NN)	C(NC[5a]N)(H)3	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCN)	N(C[5a]N[5a]2)(CH3)(NN)	C(NC[5a]N)(H)3	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCN)	118.8150	0.000	1	118.8150	0.000	1	118.8150	0.000	1	118.8150	0.000	1	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:2:	3:4:4:4:	3:3:3:	C[5a]-3:C-4:O-2:	N-3:C-4:C-4:C-4:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)(CC3)(OH)	C(NC[5a]O)(CH3)3	C[5a](C[5a]N[5a]H)2(NCO)	N(C[5a]C[5a]2)(CC3)(OH)	C(NC[5a]O)(CH3)3	C[5a](C[5a]N[5a]H)2(NCO){1|C<4>}	115.0050	0.000	1	115.0050	0.000	1	115.0050	0.000	1	115.0050	0.000	1	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:3:	3:1:1:1:	3:2:3:	C[5a]-3:C-4:N-3:	N-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(CH3)(NOO)	C(NC[5a]N)(H)3	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCN)	N(C[5a]N[5a]2)(CH3)(NOO)	C(NC[5a]N)(H)3	C[5a](N[5a]N[5a]C)(N[5a]N[5a])(NCN)	120.6230	0.000	1	120.6230	0.000	1	120.6230	0.000	1	120.6230	0.000	1	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:3:	3:4:1:1:	3:2:3:	C[5a]-3:C-4:N-3:	N-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(CCHH)(NOO)	C(NC[5a]N)(CN3)(H)2	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(NCN)	N(C[5a]C[5a]N[5a])(CCHH)(NOO)	C(NC[5a]N)(CN3)(H)2	C[5a](C[5a]N[5a]N)(N[5a]O[5a])(NCN)	121.2170	0.000	1	121.2170	0.000	1	121.2170	0.000	1	121.2170	0.000	1	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	3:2:3:	C[5a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(CH3)2	C(NC[5a]C)(H)3	C[5a](C[5a]C[5a,6a]S)(N[5a]N[5a,6a])(NCC)	N(C[5a]C[5a]N[5a])(CH3)2	C(NC[5a]C)(H)3	C[5a](C[5a]C[5a,6a]S)(N[5a]N[5a,6a])(NCC){1|C<3>,1|N<2>}	115.9975	2.601	2	115.9975	6.768	2	115.9975	6.768	2	117.0580	4.383	9	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	3:2:3:	C[5a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(CC[5]CH)(CH3)	C(NC[5a]C)(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC)	N(C[5a]N[5a]2)(CC[5]CH)(CH3)	C(NC[5a]C)(H)3	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC){2|C<3>}	119.0130	0.000	1	119.0130	0.000	1	118.9280	0.119	3	117.0580	4.383	9	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	3:2:3:	C[5a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(CH3)2	C(NC[5a]C)(H)3	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCC)	N(C[5a]N[5a]2)(CH3)2	C(NC[5a]C)(H)3	C[5a](N[5a]N[5a]H)(N[5a]C[5a])(NCC){1|C<3>}	118.8855	0.476	2	118.8855	0.226	2	118.9280	0.119	3	117.0580	4.383	9	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	3:2:3:	C[5a]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CH3)	C(NC[5a]S)(H)3	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(NCS)	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CH3)	C(NC[5a]S)(H)3	C[5a](C[5a]C[6a]N[5a])(N[5a]C[5a])(NCS){4|C<3>}	114.3960	0.000	1	114.3960	0.000	1	114.3960	0.000	1	117.0580	4.383	9	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	3:2:3:	C[5a]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:N-3:	N(C[5a]C[5a]O[5a])(SCOO)(CH3)	C(NC[5a]S)(H)3	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(NCS)	N(C[5a]C[5a]O[5a])(SCOO)(CH3)	C(NC[5a]S)(H)3	C[5a](C[5a]C[6a]N[5a])(O[5a]C[5a])(NCS){3|C<3>}	117.8130	0.000	1	117.8130	0.000	1	116.7823	4.004	3	117.0580	4.383	9	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	3:2:3:	C[5a]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:N-3:	N(C[5a]C[5a]O[5a])(SC[6a]OO)(CH3)	C(NC[5a]S)(H)3	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NCS)	N(C[5a]C[5a]O[5a])(SC[6a]OO)(CH3)	C(NC[5a]S)(H)3	C[5a](C[5a]C[5a]H)(O[5a]C[5a])(NCS){2|C<3>}	114.4760	0.000	1	114.4760	0.000	1	116.7823	4.004	3	117.0580	4.383	9	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	3:2:3:	C[5a]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[5a]-3:O[5a]-2:N-3:	N(C[5a]C[5a]O[5a])(SC[6a]OO)(CH3)	C(NC[5a]S)(H)3	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(NCS)	N(C[5a]C[5a]O[5a])(SC[6a]OO)(CH3)	C(NC[5a]S)(H)3	C[5a](C[5a]C[5a]H)(O[5a]N[5a])(NCS){1|C<3>}	118.0580	0.000	1	118.0580	0.000	1	116.7823	4.004	3	117.0580	4.383	9	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	3:3:3:	C[5a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)(CH3)2	C(NC[5a]C)(H)3	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]N)(NCC)	N(C[5a]C[5a]2)(CH3)2	C(NC[5a]C)(H)3	C[5a](C[5a]S[5a]C[5])(C[5a]C[5a]N)(NCC){1|Fe<10>,3|C<4>}	120.0500	1.010	2	120.0500	1.020	2	120.0500	1.020	2	117.9893	2.799	10	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	3:3:3:	C[5a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(CH3)2	C(NC[5a]C)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(NCC)	N(C[5a]C[5a]N[5a])(CH3)2	C(NC[5a]C)(H)3	C[5a](C[5a]C[5a]C)(N[5a]C[5a]H)(NCC){1|C<3>,1|C<4>}	118.7845	0.312	2	118.7845	0.097	2	118.7845	0.097	2	117.9893	2.799	10	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	3:3:3:	C[5a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CH3)	C(NC[5a]C)(H)3	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCC)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CH3)	C(NC[5a]C)(H)3	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCC){1|C<4>,2|C<3>}	115.6640	0.000	1	115.6640	0.000	1	115.6640	0.000	1	117.9893	2.799	10	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	3:3:3:	C[5a]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CH3)	C(NC[5a]S)(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(NCS)	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CH3)	C(NC[5a]S)(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(NCS){1|C<3>,1|N<2>}	116.8925	0.861	2	116.5137	0.801	3	117.3120	1.654	5	117.9893	2.799	10	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	3:3:3:	C[5a]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CH3)	C(NC[5a]S)(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(NCS)	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CH3)	C(NC[5a]S)(H)3	C[5a](C[5a]C[5a,6a]H)(N[5a]C[5a,6a]C)(NCS){2|C<3>}	115.7560	0.000	1	116.5137	0.801	3	117.3120	1.654	5	117.9893	2.799	10	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	3:3:3:	C[5a]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CH3)	C(NC[5a]S)(H)3	C[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H)(NCS)	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CH3)	C(NC[5a]S)(H)3	C[5a](C[5a]C[5a]C[6])(N[5a]C[5a]H)(NCS){2|C<3>,2|C<4>}	118.8520	0.000	1	118.8520	0.000	1	117.3120	1.654	5	117.9893	2.799	10	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:4:	3:1:1:1:	3:3:3:	C[5a]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CH3)	C(NC[5a]S)(H)3	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NCS)	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CH3)	C(NC[5a]S)(H)3	C[5a](C[5a]C[5a]C[6a])(N[5a]C[5a]H)(NCS){4|C<3>}	118.1670	0.000	1	118.1670	0.000	1	117.3120	1.654	5	117.9893	2.799	10	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:4:	3:3:1:1:	3:2:3:	C[5a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[5a](C[5a]N[5a]S)(N[5a]C[5a])(NCC)	N(C[5a]C[5a]N[5a])(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[5a](C[5a]N[5a]S)(N[5a]C[5a])(NCC){2|C<4>}	115.6010	1.509	2	115.6010	2.277	2	115.6010	2.277	2	116.4947	3.730	6	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:4:	3:3:1:1:	3:2:3:	C[5a]-3:C-4:C-4:	N-3:C-3:H-1:H-1:	C[5a]-3:S[5a]-2:N-3:	N(C[5a]C[5a]S[5a])(CCHH)2	C(NC[5a]C)(COO)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCC)	N(C[5a]C[5a]S[5a])(CCHH)2	C(NC[5a]C)(COO)(H)2	C[5a](C[5a]C[5a]C)(S[5a]C[5a])(NCC){1|C<3>,1|C<4>}	118.6175	1.641	2	118.6175	2.694	2	118.6175	2.694	2	116.4947	3.730	6	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:4:	3:3:1:1:	3:2:3:	C[5a]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[5a]S)(H)2	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(NCS)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[5a]S)(H)2	C[5a](C[5a]C[5a]H)(N[5a]O[5a])(NCS){1|C<4>}	115.4160	0.000	1	115.4160	0.000	1	115.2655	0.045	2	116.4947	3.730	6	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:4:	3:3:1:1:	3:2:3:	C[5a]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[5a]S)(H)2	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(NCS)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[5a]S)(H)2	C[5a](C[5a]C[6a]O[5a])(N[5a]C[5a])(NCS){1|C<4>,2|C<3>}	115.1150	0.000	1	115.1150	0.000	1	115.2655	0.045	2	116.4947	3.730	6	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:4:	3:3:1:1:	3:3:3:	C[5a]-3:C-4:C-4:	C-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)(CCHH)2	C(CC[6a]N)(NC[5a]C)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCC)	N(C[5a]C[5a]2)(CCHH)2	C(CC[6a]N)(NC[5a]C)(H)2	C[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCC){1|C<3>,1|C<4>}	112.3695	0.643	2	112.3695	0.413	2	112.3695	0.413	2	115.1248	4.758	11	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:4:	3:3:1:1:	3:3:3:	C[5a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(NCC)	N(C[5a]C[5a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[5a](C[5a]C[5a]S[5a])(C[5a]C[5a]H)(NCC){1|C<3>,1|H<1>,1|S<2>}	116.0840	0.204	2	116.0840	0.041	2	116.0840	0.041	2	115.1248	4.758	11	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:4:	3:3:1:1:	3:3:3:	C[5a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	N[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCC)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]C)(NCC){1|C<4>,2|C<3>}	119.5860	0.000	1	119.5860	0.000	1	116.2993	8.571	3	115.1248	4.758	11	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:4:	3:3:1:1:	3:3:3:	C[5a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	N[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CN[5a]HH)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCC)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CN[5a]HH)	C(C[6a]C[6a]2)(NC[5a]C)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCC){1|C<4>,2|C<3>}	114.6560	0.969	2	114.6560	0.938	2	116.2993	8.571	3	115.1248	4.758	11	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:4:	3:3:1:1:	3:3:3:	C[5a]-3:C-4:C-4:	N[5a]-3:N-3:H-1:H-1:	N[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(NC[5a]C)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCC)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CN[5a]HH)	C(N[5a]C[5a,6a]N[5a])(NC[5a]C)(H)2	C[5a](N[5a]C[6a]N[5a])(C[5a]C[5a]H)(NCC){1|C<4>,2|C<3>}	114.1505	1.722	2	114.1505	2.965	2	114.1505	2.965	2	115.1248	4.758	11	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:4:	3:3:1:1:	3:3:3:	C[5a]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[5a]S)(H)2	C[5a](C[5a]N[5a]H)2(NCS)	N(C[5a]C[5a]2)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[5a]S)(H)2	C[5a](C[5a]N[5a]H)2(NCS){1|C<3>}	115.1530	0.000	1	115.1530	0.000	1	115.1530	0.000	1	115.1248	4.758	11	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:4:	3:3:1:1:	3:3:3:	C[5a]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(CC[6a]HH)(SCOO)	C(C[6a]C[6a]2)(NC[5a]S)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NCS)	N(C[5a]C[5a]N[5a])(CC[6a]HH)(SCOO)	C(C[6a]C[6a]2)(NC[5a]S)(H)2	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NCS){2|H<1>}	117.1140	0.000	1	117.1140	0.000	1	117.1140	0.000	1	115.1248	4.758	11	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[5a]-3:O[5a]-2:N-3:	N(C[5a]C[5a]O[5a])(CCHH)(CC3)	C(NC[5a]C)(CHHN)(H)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NCC)	N(C[5a]C[5a]O[5a])(CCHH)(CC3)	C(NC[5a]C)(CHHN)(H)2	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NCC){4|C<3>}	113.4290	0.000	1	113.4290	0.000	1	113.4290	0.000	1	115.0935	5.541	2	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:4:	3:4:1:1:	3:2:3:	C[5a]-3:S-4:C-4:	N-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:N-3:	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCHH)	C(NC[5a]S)(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(NCS)	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCHH)	C(NC[5a]S)(CCHH)(H)2	C[5a](C[5a]C[5a,6a]C[6a])(N[5a]N[5a,6a])(NCS){4|C<3>}	116.7580	0.000	1	116.7580	0.000	1	116.7580	0.000	1	115.0935	5.541	2	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:4:	3:4:3:1:	3:3:3:	C[5a]-3:C-4:C-4:	C[6a]-3:C-4:N-3:H-1:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)(CC[6a]CH)(CCCH)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(NC[5a]C)(H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NCC)	N(C[5a]C[5a]2)(CC[6a]CH)(CCCH)	C(C[6a]C[6a]N[6a])(CC[6a]HO)(NC[5a]C)(H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NCC){3|C<3>}	118.6015	0.221	2	118.6015	0.049	2	118.6015	0.049	2	118.6015	0.049	2	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:4:	3:4:4:1:	3:3:3:	C[5a]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	C[5a]-3:C[5a]-3:N-3:	N(C[5a]C[5a]2)(CC[6a]CH)(CCCH)	C(NC[5a]C)(CH3)2(H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NCC)	N(C[5a]C[5a]2)(CC[6a]CH)(CCCH)	C(NC[5a]C)(CH3)2(H)	C[5a](C[5a]C[6a]O[5a])(C[5a]C[5a]C)(NCC){3|C<3>}	119.0515	1.428	2	119.0515	2.038	2	119.0515	2.038	2	119.2067	1.091	3	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:4:	3:4:4:1:	3:3:3:	C[5a]-3:S-4:C-4:	N-3:C-4:C-4:H-1:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCCH)	C(NC[5a]S)(CH3)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NCS)	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCCH)	C(NC[5a]S)(CH3)2(H)	C[5a](C[5a]C[5a]H)(N[5a]C[5a]C)(NCS){2|H<1>}	119.5170	0.000	1	119.5170	0.000	1	119.5170	0.000	1	119.2067	1.091	3	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:4:	3:4:4:4:	3:2:3:	C[5a]-3:C-4:C-4:	N-3:C-4:C-4:C-4:	C[5a]-3:O[5a]-2:N-3:	N(C[5a]C[5a]O[5a])(CCHH)(CC3)	C(NC[5a]C)(CH3)3	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NCC)	N(C[5a]C[5a]O[5a])(CCHH)(CC3)	C(NC[5a]C)(CH3)3	C[5a](C[5a]C[5a]C[6a])(O[5a]C[5a])(NCC){4|C<3>}	115.0120	0.000	1	115.0120	0.000	1	115.0120	0.000	1	115.0120	0.000	1	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:4:	4:3:1:1:	3:3:3:	C[5a]-3:S-4:C-4:	C-4:N-3:H-1:H-1:	C[5a]-3:N[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCHH)	C(CC[5a]HH)(NC[5a]S)(H)2	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(NCS)	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCHH)	C(CC[5a]HH)(NC[5a]S)(H)2	C[5a](C[5a]C[5a,6a]C[5a])(N[5a]C[5a,6a]C)(NCS){1|N<3>,3|C<3>}	116.8830	0.000	1	116.8830	0.000	1	116.8830	0.000	1	116.8830	0.000	1	117.6757	6.151	81	117.6757	6.151	81
956	490	727	0:SP3_SP2_SP3	N	C	C[5a]	3:4:4:	4:3:4:1:	3:2:3:	C[5a]-3:C-4:C-4:	C[5]-4:N-3:C-4:H-1:	N[5a]-3:N[5a]-2:N-3:	N(C[5a]N[5a]2)(CC[5]CH)(CH3)	C(C[5]C[5]2Fe)(NC[5a]C)(CH3)(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC)	N(C[5a]N[5a]2)(CC[5]CH)(CH3)	C(C[5]C[5]2Fe)(NC[5a]C)(CH3)(H)	C[5a](N[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC){2|C<3>}	115.7620	0.000	1	115.7620	0.000	1	115.7620	0.000	1	115.7620	0.000	1	117.6757	6.151	81	117.6757	6.151	81
956	490	730	0:SP2_SP3_SP3	N	C	As	3:4:3:	3:1:1:1:	4:3:1:	As-3:C-4:C-3:	N-3:H-1:H-1:H-1:	C-4:N-3:Cl-1:	N(AsClC)(CH3)(CNO)	C(NAsC)(H)3	As(CH3)(NCC)(Cl)	N(AsClC)(CH3)(CNO)	C(NAsC)(H)3	As(CH3)(NCC)(Cl)	122.0710	0.690	2	122.0710	0.476	2	122.0710	0.476	2	122.0710	0.476	2	122.0710	0.476	2	122.0710	0.476	2
956	490	762	0:SP2_SP2_SP3	N	C	C[6,6]	3:4:4:	3:1:1:1:	4:3:3:	C[6,6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[3x6]-4:C[6,6]-3:N-3:	N(C[6,6]C[3x6]C[6,6])(CH3)2	C(NC[6,6]C)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(NCC)	N(C[6,6]C[3x6]C[6,6])(CH3)2	C(NC[6,6]C)(H)3	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[3x6]H)(NCC){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	121.0955	5.841	2	121.0955	34.122	2	121.0955	34.122	2	121.0955	34.122	2	121.0955	34.122	2	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	2:2:3:	C[6]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	N[6]-2:S[6]-2:N-3:	N(C[6]N[6]S[6])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[6])(H)3	C[6](N[6]C[6])(S[6]C[6])(NC[6a]C)	N(C[6]N[6]S[6])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[6])(H)3	C[6](N[6]C[6])(S[6]C[6])(NC[6a]C){1|N<3>,1|S<1>,2|C<4>}	120.0280	0.417	2	120.0280	0.174	2	120.0280	0.174	2	120.4573	0.640	3	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	2:2:3:	C[6]-3:N-3:C-4:	N-3:H-1:H-1:H-1:	N[6]-2:N[6]-2:N-3:	N(C[6]N[6]2)(NC[6]C)(CH3)	C(NC[6]N)(H)3	C[6](N[6]C[6])2(NCN)	N(C[6]N[6]2)(NC[6]C)(CH3)	C(NC[6]N)(H)3	C[6](N[6]C[6])2(NCN){1|O<2>,2|N<3>}	121.3160	0.000	1	121.3160	0.000	1	121.3160	0.000	1	120.4573	0.640	3	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	3:2:3:	C[6]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(NC[6a]C)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6])(NC[6a]C){1|C<4>,1|H<1>,1|N<3>}	120.7790	0.000	1	120.7790	0.000	1	120.7790	0.000	1	120.7790	0.000	1	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CC[5a]O)(CH3)	C(NC[6]C)(H)3	C[6](C[6]C[6]H)2(NCC)	N(C[6]C[6]2)(CC[5a]O)(CH3)	C(NC[6]C)(H)3	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	117.8990	0.000	1	117.8990	0.000	1	117.8990	0.000	1	117.9609	6.812	53	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])2(CH3)	C(NC[6]2)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]C)	N(C[6]C[6]N[6])2(CH3)	C(NC[6]2)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]C){1|C<3>,1|H<1>,1|N<3>}	116.5210	1.749	4	116.5210	3.057	4	116.5786	1.359	32	117.9609	6.812	53	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])2(CH3)	C(NC[6]2)(H)3	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NC[6]C)	N(C[6]C[6]N[6])2(CH3)	C(NC[6]2)(H)3	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NC[6]C){1|C<3>,1|H<1>,1|N<3>}	117.2790	0.213	4	117.6166	0.239	8	116.5786	1.359	32	117.9609	6.812	53	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])2(CH3)	C(NC[6]2)(H)3	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NC[6]C)	N(C[6]C[6]N[6])2(CH3)	C(NC[6]2)(H)3	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	117.9543	0.456	4	117.6166	0.239	8	116.5786	1.359	32	117.9609	6.812	53	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])2(CH3)	C(NC[6]2)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]C)	N(C[6]C[6]N[6])2(CH3)	C(NC[6]2)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]C){1|C<3>,1|H<1>,1|N<3>}	116.1891	1.160	14	116.2496	1.220	16	116.5786	1.359	32	117.9609	6.812	53	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])2(CH3)	C(NC[6]2)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]C)	N(C[6]C[6]N[6])2(CH3)	C(NC[6]2)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	116.6730	0.643	2	116.2496	1.220	16	116.5786	1.359	32	117.9609	6.812	53	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])2(CH3)	C(NC[6]2)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6]C)	N(C[6]C[6]N[6])2(CH3)	C(NC[6]2)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6]C){1|C<3>,1|C<4>,1|H<1>}	116.2775	0.063	2	115.8762	0.218	4	116.5786	1.359	32	117.9609	6.812	53	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])2(CH3)	C(NC[6]2)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6]C)	N(C[6]C[6]N[6])2(CH3)	C(NC[6]2)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6]C){1|H<1>,2|C<3>}	115.4750	0.072	2	115.8762	0.218	4	116.5786	1.359	32	117.9609	6.812	53	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[6])(H)3	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(NC[6a]C)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[6])(H)3	C[6](C[6]C[6,6a]H)(N[6]C[6]S)(NC[6a]C){1|H<1>,3|C<3>}	119.3770	0.000	1	119.3770	0.000	1	119.9640	0.269	3	117.9609	6.812	53	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]C)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[6])(H)3	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]C){1|C<3>,2|H<1>}	120.2575	0.145	2	120.2575	0.021	2	119.9640	0.269	3	117.9609	6.812	53	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]C)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	117.6580	0.000	1	117.6580	0.000	1	116.2467	3.255	3	117.9609	6.812	53	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[6])(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6a]C)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[6])(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	115.5410	1.877	2	115.5410	3.522	2	116.2467	3.255	3	117.9609	6.812	53	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:N-3:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(NC[6]C)(CH3)	C(NC[6]N)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCN)	N(C[6]C[6]N[6])(NC[6]C)(CH3)	C(NC[6]N)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCN){1|C<3>,1|H<1>,1|N<4>}	120.1430	0.000	1	120.1430	0.000	1	121.9163	5.017	11	117.9609	6.812	53	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:N-3:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(NCoC)(CH3)	C(NC[6]N)(H)3	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(NCN)	N(C[6]C[6]N[6])(NCoC)(CH3)	C(NC[6]N)(H)3	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(NCN){1|H<1>,2|C<3>}	119.5620	0.794	4	119.5620	0.630	4	121.9163	5.017	11	117.9609	6.812	53	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:N-3:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(NIrC)(CH3)	C(NC[6]N)(H)3	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCN)	N(C[6]C[6]N[6])(NIrC)(CH3)	C(NC[6]N)(H)3	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCN){1|C<3>,2|H<1>}	122.9880	0.000	1	122.9880	0.000	1	121.9163	5.017	11	117.9609	6.812	53	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:N-3:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(NMnC)(CH3)	C(NC[6]N)(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NCN)	N(C[6]C[6]N[6])(NMnC)(CH3)	C(NC[6]N)(H)3	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NCN){1|H<1>,1|N<2>,1|N<3>}	124.4900	0.000	1	124.4900	0.000	1	121.9163	5.017	11	117.9609	6.812	53	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:N-3:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(NPdC)(CH3)	C(NC[6]N)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCN)	N(C[6]C[6]N[6])(NPdC)(CH3)	C(NC[6]N)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCN){1|C<4>,2|N<3>}	123.3800	0.000	1	123.3800	0.000	1	121.9163	5.017	11	117.9609	6.812	53	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:N-3:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(NReC)(CH3)	C(NC[6]N)(H)3	C[6](N[6]N[6]Re)(C[6]C[6]H)(NCN)	N(C[6]C[6]N[6])(NReC)(CH3)	C(NC[6]N)(H)3	C[6](N[6]N[6]Re)(C[6]C[6]H)(NCN){1|C<3>,1|H<1>}	124.0115	0.834	2	124.0115	0.695	2	121.9163	5.017	11	117.9609	6.812	53	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:N-3:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(NZnC)(CH3)	C(NC[6]N)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCN)	N(C[6]C[6]N[6])(NZnC)(CH3)	C(NC[6]N)(H)3	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCN){1|C<4>,2|N<3>}	123.8070	0.000	1	123.8070	0.000	1	121.9163	5.017	11	117.9609	6.812	53	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6]-3:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C(NC[6a]C[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]C)	N(C[6a]C[6a]2)(C[6]C[6]2)(CH3)	C(NC[6a]C[6])(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]C){1|C<3>,1|H<1>,1|O<1>}	118.2905	0.071	2	118.2905	0.005	2	118.2905	0.005	2	117.9609	6.812	53	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6]-3:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(CH3)	C(NC[6a]C[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(CH3)	C(NC[6a]C[6])(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]C){1|C<3>,1|C<4>,1|H<1>}	117.2220	0.000	1	117.2220	0.000	1	117.2220	0.000	1	117.9609	6.812	53	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	4:2:3:	C[6]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[6]-4:N[6]-2:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[6])(H)3	C[6](C[6]C[6]HH)(N[6]C[6])(NC[6a]C)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[6])(H)3	C[6](C[6]C[6]HH)(N[6]C[6])(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	119.2410	0.000	1	119.2410	0.000	1	119.2410	0.000	1	119.2410	0.000	1	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:3:4:	3:3:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6a]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])2(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6]2)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6]C)	N(C[6]C[6]N[6])2(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6]2)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	118.0369	1.185	8	118.0369	1.405	8	118.0369	1.405	8	117.7312	1.930	11	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:3:4:	3:3:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	N-3:C-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])2(CCHH)	C(NC[6]2)(COO)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6]C)	N(C[6]C[6]N[6])2(CCHH)	C(NC[6]2)(COO)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	116.6080	2.482	2	116.6080	6.160	2	116.6080	6.160	2	117.7312	1.930	11	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6]-3:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(NC[6a]C[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]C)	N(C[6a]C[6a]N[6a])(C[6]C[6]N[6])(CC[6a]HH)	C(C[6a]C[6a]N[6a])(NC[6a]C[6])(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]C){1|C<3>,2|H<1>}	117.5320	0.000	1	117.5320	0.000	1	117.5320	0.000	1	117.7312	1.930	11	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:3:4:	3:4:4:1:	3:3:3:	C[6]-3:C[6a]-3:C-4:	N-3:C-4:C-4:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CCCH)	C(NC[6a]C[6])(CH3)2(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6a]C)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CCCH)	C(NC[6a]C[6])(CH3)2(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6a]C){1|H<1>,2|C<3>}	115.5460	0.074	2	115.5460	0.005	2	115.5460	0.005	2	115.5460	0.005	2	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:1:1:1:	2:3:3:	C[6]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	O[6]-2:C[6]-3:N-3:	N(C[6]C[6]O[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](O[6]C[6,6])(C[6]C[6]N)(NCH)	N(C[6]C[6]O[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](O[6]C[6,6])(C[6]C[6]N)(NCH){1|C<4>,1|H<1>,2|C<3>}	125.2940	0.379	4	125.2940	0.144	4	125.1663	0.150	13	125.1663	0.150	13	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:1:1:1:	2:3:3:	C[6]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	O[6]-2:C[6]-3:N-3:	N(C[6]C[6]O[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH)	N(C[6]C[6]O[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH){1|C<4>,1|H<1>,2|C<3>}	124.8110	0.078	2	125.1096	0.160	9	125.1663	0.150	13	125.1663	0.150	13	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:1:1:1:	2:3:3:	C[6]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	O[6]-2:C[6]-3:N-3:	N(C[6]C[6]O[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH)	N(C[6]C[6]O[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH){1|H<1>,1|S<2>,2|C<3>}	124.7980	0.000	1	125.1096	0.160	9	125.1663	0.150	13	125.1663	0.150	13	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:1:1:1:	2:3:3:	C[6]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	O[6]-2:C[6]-3:N-3:	N(C[6]C[6]O[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH)	N(C[6]C[6]O[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH){1|H<1>,3|C<3>}	125.2610	0.414	6	125.1096	0.160	9	125.1663	0.150	13	125.1663	0.150	13	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:1:1:1:	3:2:3:	C[6]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[5,6]-3:N[6]-2:N-3:	N(C[6]C[5,6]N[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](C[5,6]C[5,6]C[5])(N[6]C[6])(NCH)	N(C[6]C[5,6]N[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](C[5,6]C[5,6]C[5])(N[6]C[6])(NCH){2|C<4>,2|H<1>,2|N<3>}	124.0070	0.000	1	124.0070	0.000	1	124.0070	0.000	1	124.6495	0.439	11	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:1:1:1:	3:2:3:	C[6]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6,6a]-3:O[6]-2:N-3:	N(C[6]C[6,6a]O[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NCH)	N(C[6]C[6,6a]O[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(O[6]C[6])(NCH){1|H<1>,4|C<3>}	123.2950	0.000	1	123.2950	0.000	1	123.2950	0.000	1	124.6495	0.439	11	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:1:1:1:	3:2:3:	C[6]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:N-3:	N(C[6]C[6]O[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](C[6]C[5,6]N)(O[6]C[6,6])(NCH)	N(C[6]C[6]O[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](C[6]C[5,6]N)(O[6]C[6,6])(NCH){1|C<4>,3|C<3>}	125.4990	0.000	1	125.4990	0.000	1	124.9404	0.194	8	124.6495	0.439	11	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:1:1:1:	3:2:3:	C[6]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:N-3:	N(C[6]C[6]O[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](C[6]C[6]N)(O[6]C[6])(NCH)	N(C[6]C[6]O[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](C[6]C[6]N)(O[6]C[6])(NCH){1|H<1>,3|C<3>}	124.8606	0.408	7	124.8606	0.167	7	124.9404	0.194	8	124.6495	0.439	11	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:1:1:1:	3:2:3:	C[6]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N(C[6]N[6]2)(CH3)(H)	C(NC[6]H)(H)3	C[6](N[6]C[6]Co)(N[6]C[6])(NCH)	N(C[6]N[6]2)(CH3)(H)	C(NC[6]H)(H)3	C[6](N[6]C[6]Co)(N[6]C[6])(NCH){1|H<1>,2|C<3>}	124.3200	0.000	1	124.3200	0.000	1	124.3200	0.000	1	124.6495	0.439	11	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:1:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6,6a]-3:N[6]-3:N-3:	N(C[6]C[6,6a]N[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)	N(C[6]C[6,6a]N[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH){1|H<1>,2|C<3>,3|C<4>}	123.6660	0.000	1	123.6660	0.000	1	123.6660	0.000	1	125.3825	11.308	28	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:1:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CH3)(H)	C(NC[6]H)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH)	N(C[6]C[6]2)(CH3)(H)	C(NC[6]H)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH){1|O<1>,2|C<3>}	130.5690	0.000	1	130.5690	0.000	1	125.7571	11.823	9	125.3825	11.308	28	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:1:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CH3)(H)	C(NC[6]H)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH)	N(C[6]C[6]2)(CH3)(H)	C(NC[6]H)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH){1|O<1>,2|C<3>}	130.7080	0.000	1	130.7080	0.000	1	125.7571	11.823	9	125.3825	11.308	28	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:1:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CH3)(H)	C(NC[6]H)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	N(C[6]C[6]2)(CH3)(H)	C(NC[6]H)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	123.4260	0.000	1	123.4260	0.000	1	125.7571	11.823	9	125.3825	11.308	28	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:1:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CH3)(H)	C(NC[6]H)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH)	N(C[6]C[6]2)(CH3)(H)	C(NC[6]H)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH){1|O<1>,2|C<3>}	128.9420	0.000	1	128.9420	0.000	1	125.7571	11.823	9	125.3825	11.308	28	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:1:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CH3)(H)	C(NC[6]H)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	N(C[6]C[6]2)(CH3)(H)	C(NC[6]H)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	123.7625	2.251	2	123.3090	2.230	4	125.7571	11.823	9	125.3825	11.308	28	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:1:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CH3)(H)	C(NC[6]H)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	N(C[6]C[6]2)(CH3)(H)	C(NC[6]H)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|O<1>}	122.8555	0.896	2	123.3090	2.230	4	125.7571	11.823	9	125.3825	11.308	28	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:1:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CH3)(H)	C(NC[6]H)(H)3	C[6](C[6]C[6]H)2(NCH)	N(C[6]C[6]2)(CH3)(H)	C(NC[6]H)(H)3	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	124.9330	0.000	1	124.9330	0.000	1	125.7571	11.823	9	125.3825	11.308	28	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:1:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	N(C[6]C[6]N[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	123.2085	0.609	2	123.2085	0.371	2	125.4678	4.417	5	125.3825	11.308	28	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:1:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH)	N(C[6]C[6]N[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH){1|H<1>,1|N<3>,2|C<3>}	126.6790	0.000	1	126.9740	0.141	3	125.4678	4.417	5	125.3825	11.308	28	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:1:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH)	N(C[6]C[6]N[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH){1|H<1>,1|S<2>,2|C<3>}	127.1215	0.390	2	126.9740	0.141	3	125.4678	4.417	5	125.3825	11.308	28	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:1:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](N[6]C[6,6]C)(C[6]C[6]N)(NCH)	N(C[6]C[6]N[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](N[6]C[6,6]C)(C[6]C[6]N)(NCH){1|C<3>,1|O<2>,2|H<1>}	133.9350	0.000	2	133.9350	0.000	2	125.2223	15.706	13	125.3825	11.308	28	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:1:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH)	N(C[6]C[6]N[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	123.6520	0.000	1	123.6520	0.000	1	125.2223	15.706	13	125.3825	11.308	28	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:1:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NCH)	N(C[6]C[6]N[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<4>}	123.3100	0.020	2	123.3100	0.000	2	125.2223	15.706	13	125.3825	11.308	28	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:1:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NCH)	N(C[6]C[6]N[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NCH){1|H<1>,2|C<3>}	124.7045	0.750	2	124.7045	0.563	2	125.2223	15.706	13	125.3825	11.308	28	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:1:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCH)	N(C[6]C[6]N[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCH){1|H<1>,2|C<3>}	122.9160	1.816	2	122.9160	3.297	2	125.2223	15.706	13	125.3825	11.308	28	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:1:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NCH)	N(C[6]C[6]N[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NCH){1|H<1>,2|C<3>}	123.6268	0.741	4	123.6268	0.550	4	125.2223	15.706	13	125.3825	11.308	28	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:1:1:1:	4:3:3:	C[6]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:N-3:	N(C[6]C[6]2)(CH3)(H)	C(NC[6]H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	N(C[6]C[6]2)(CH3)(H)	C(NC[6]H)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	126.0930	0.000	1	126.0930	0.000	1	126.0930	0.000	1	126.0930	0.000	1	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:2:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-2:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:N-3:	N(C[6]C[5a,6]2)(CCHH)(H)	C(NC[6]H)(CC)(H)2	C[6](C[5a,6]N[5a,6]C[5a])2(NCH)	N(C[6]C[5a,6]2)(CCHH)(H)	C(NC[6]H)(CC)(H)2	C[6](C[5a,6]N[5a,6]C[5a])2(NCH){1|B<4>,2|H<1>,4|C<3>}	127.6655	0.936	2	127.6655	0.875	2	127.6655	0.875	2	127.6655	0.875	2	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	2:3:3:	C[6]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	O[6]-2:C[6]-3:N-3:	N(C[6]C[6]O[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH)	N(C[6]C[6]O[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]N)(NCH){1|H<1>,1|S<2>,2|C<3>}	124.7500	0.000	1	124.7500	0.000	1	124.7500	0.000	1	124.7500	0.000	1	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	3:2:3:	C[6]-3:C-4:H-1:	C[5]-3:N-3:H-1:H-1:	C[5a,6]-3:N[6]-2:N-3:	N(C[6]C[5a,6]N[6])(CC[5]HH)(H)	C(C[5]C[5]O[5])(NC[6]H)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH)	N(C[6]C[5a,6]N[6])(CC[5]HH)(H)	C(C[5]C[5]O[5])(NC[6]H)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	123.5780	0.000	1	123.5780	0.000	1	123.5780	0.000	1	122.5313	1.643	16	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	3:2:3:	C[6]-3:C-4:H-1:	C[5a]-3:N-3:H-1:H-1:	C[5a,6]-3:N[6]-2:N-3:	N(C[6]C[5a,6]N[6])(CC[5a]HH)(H)	C(C[5a]C[5a]O[5a])(NC[6]H)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH)	N(C[6]C[5a,6]N[6])(CC[5a]HH)(H)	C(C[5a]C[5a]O[5a])(NC[6]H)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	122.2770	0.000	1	122.2770	0.000	1	122.2770	0.000	1	122.5313	1.643	16	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	3:2:3:	C[6]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[5,6]-3:N[6]-2:N-3:	N(C[6]C[5,6]N[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NCH)	N(C[6]C[5,6]N[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](C[5,6]C[5,6]N[5])(N[6]C[6])(NCH){1|C<3>,2|H<1>,2|N<3>}	123.0900	0.000	1	123.0900	0.000	1	123.0900	0.000	1	122.5313	1.643	16	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	3:2:3:	C[6]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[5a,6]-3:N[6]-2:N-3:	N(C[6]C[5a,6]N[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH)	N(C[6]C[5a,6]N[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	123.6928	0.890	6	123.6928	0.792	6	123.6928	0.792	6	122.5313	1.643	16	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	3:2:3:	C[6]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[5a,6]-3:N[6]-2:N-3:	N(C[6]N[5a,6]N[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[5,6])(NCH)	N(C[6]N[5a,6]N[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[5,6])(NCH){1|C<4>,1|N<2>,3|C<3>}	121.5910	0.000	1	121.5910	0.000	1	121.5910	0.000	1	122.5313	1.643	16	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	3:2:3:	C[6]-3:C-4:H-1:	N-3:C-3:H-1:H-1:	C[5a,6]-3:N[6]-2:N-3:	N(C[6]C[5a,6]N[6])(CCHH)(H)	C(NC[6]H)(COO)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH)	N(C[6]C[5a,6]N[6])(CCHH)(H)	C(NC[6]H)(COO)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	121.3060	0.000	1	121.3060	0.000	1	121.3060	0.000	1	122.5313	1.643	16	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	3:2:3:	C[6]-3:C-4:H-1:	N-3:C-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N(C[6]N[6]2)(CCHH)(H)	C(NC[6]H)(CNO)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	N(C[6]N[6]2)(CCHH)(H)	C(NC[6]H)(CNO)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|N<2>,2|N<3>}	122.2000	0.000	1	122.2000	0.000	1	121.3004	0.288	5	122.5313	1.643	16	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	3:2:3:	C[6]-3:C-4:H-1:	N-3:C-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N(C[6]N[6]2)(CCHH)(H)	C(NC[6]H)(COO)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	N(C[6]N[6]2)(CCHH)(H)	C(NC[6]H)(COO)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|O<1>,2|N<3>}	121.0755	0.218	4	121.0755	0.047	4	121.3004	0.288	5	122.5313	1.643	16	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	C-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)(H)	C(CC[5a]H)(NC[6]H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH)	N(C[6]C[6]2)(CCHH)(H)	C(CC[5a]H)(NC[6]H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH){1|O<1>,2|C<3>}	131.2530	0.000	1	131.2530	0.000	1	131.2530	0.000	1	125.9514	8.942	38	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	C[5a]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CC[5a]HH)(H)	C(C[5a]C[5a]O[5a])(NC[6]H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH)	N(C[6]C[6]2)(CC[5a]HH)(H)	C(C[5a]C[5a]O[5a])(NC[6]H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH){1|O<1>,2|C<3>}	130.6300	0.000	1	130.6300	0.000	1	130.3805	0.125	2	125.9514	8.942	38	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	C[5a]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CC[5a]HH)(H)	C(C[5a]C[5a]S[5a])(NC[6]H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH)	N(C[6]C[6]2)(CC[5a]HH)(H)	C(C[5a]C[5a]S[5a])(NC[6]H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH){1|O<1>,2|C<3>}	130.1310	0.000	1	130.1310	0.000	1	130.3805	0.125	2	125.9514	8.942	38	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(CC[6]HH)(H)	C(C[6]C[6]2)(NC[6]H)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	N(C[6]C[6]N[6])(CC[6]HH)(H)	C(C[6]C[6]2)(NC[6]H)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	125.6674	1.649	5	125.6674	2.719	5	125.7949	1.860	7	125.9514	8.942	38	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(CC[6]HH)(H)	C(C[6]C[6]N[6])(NC[6]H)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	N(C[6]C[6]N[6])(CC[6]HH)(H)	C(C[6]C[6]N[6])(NC[6]H)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	126.1135	0.026	2	126.1135	0.001	2	125.7949	1.860	7	125.9514	8.942	38	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:N-3:	N(C[6]C[5a,6]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(H)2	C[6](C[5a,6]N[5a,6]C[5a])2(NCH)	N(C[6]C[5a,6]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(H)2	C[6](C[5a,6]N[5a,6]C[5a])2(NCH){1|B<4>,2|H<1>,4|C<3>}	129.3250	0.000	1	129.3250	0.000	1	129.3250	0.000	1	125.9514	8.942	38	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[5a,6]-3:N[6]-3:N-3:	N(C[6]C[5a,6]N[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH)	N(C[6]C[5a,6]N[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	125.4080	0.000	1	125.4080	0.000	1	125.4080	0.000	1	125.9514	8.942	38	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH)	N(C[6]C[6]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH){1|O<1>,2|C<3>}	131.6550	0.000	1	131.6550	0.000	1	125.7461	12.495	16	125.9514	8.942	38	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH)	N(C[6]C[6]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH){1|O<1>,2|C<3>}	131.6970	0.000	1	131.6970	0.000	1	125.7461	12.495	16	125.9514	8.942	38	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	N(C[6]C[6]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	124.1780	0.000	1	124.1780	0.000	1	125.7461	12.495	16	125.9514	8.942	38	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	N(C[6]C[6]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	125.4805	1.010	4	125.4805	1.021	4	125.7461	12.495	16	125.9514	8.942	38	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	N(C[6]C[6]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	123.8970	0.028	2	122.8418	2.334	5	125.7461	12.495	16	125.9514	8.942	38	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	N(C[6]C[6]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Cu<4>,1|C<3>,1|H<1>}	122.1383	1.677	3	122.8418	2.334	5	125.7461	12.495	16	125.9514	8.942	38	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](C[6]C[6]H)2(NCH)	N(C[6]C[6]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	124.2860	0.000	1	124.2860	0.000	1	125.7461	12.495	16	125.9514	8.942	38	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH)	N(C[6]C[6]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH){1|O<1>,2|C<3>}	131.0720	0.000	1	131.0720	0.000	1	125.7461	12.495	16	125.9514	8.942	38	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH)	N(C[6]C[6]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH){1|O<1>,2|C<3>}	130.2190	0.000	1	130.2190	0.000	1	125.7461	12.495	16	125.9514	8.942	38	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	N(C[6]C[6]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[6]H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	122.7000	0.000	1	122.7000	0.000	1	125.7461	12.495	16	125.9514	8.942	38	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](C[6]C[6,6]N)(N[6]C[6,6]H)(NCH)	N(C[6]C[6]N[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](C[6]C[6,6]N)(N[6]C[6,6]H)(NCH){2|H<1>,3|C<4>}	126.3740	0.000	1	126.3740	0.000	1	125.6991	2.050	7	125.9514	8.942	38	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	N(C[6]C[6]N[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	125.0838	1.022	5	125.0838	1.045	5	125.6991	2.050	7	125.9514	8.942	38	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH)	N(C[6]C[6]N[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](C[6]C[6]N)(N[6]C[6]C)(NCH){1|N<3>,4|H<1>}	128.1010	0.000	1	128.1010	0.000	1	125.6991	2.050	7	125.9514	8.942	38	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCH)	N(C[6]C[6]N[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	122.4530	0.512	2	122.4530	0.262	2	122.4530	0.262	2	125.9514	8.942	38	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-3:H-1:H-1:	C[5a,6]-3:N[6]-3:N-3:	N(C[6]C[5a,6]N[6])(CCHH)(H)	C(NC[6]H)(COO)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH)	N(C[6]C[5a,6]N[6])(CCHH)(H)	C(NC[6]H)(COO)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	122.1030	0.000	1	122.1030	0.000	1	122.1030	0.000	1	125.9514	8.942	38	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	4:3:3:	C[6]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	N(C[6]C[6]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCH)	N(C[6]C[6]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCH){1|C<4>,1|O<1>,2|H<1>}	125.5060	0.000	1	125.5060	0.000	1	124.4080	2.220	3	124.4080	2.220	3	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	4:3:3:	C[6]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	N(C[6]C[6]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	N(C[6]C[6]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|O<1>,3|C<4>}	125.0060	0.000	1	125.0060	0.000	1	124.4080	2.220	3	124.4080	2.220	3	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	4:3:3:	C[6]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	N(C[6]C[6]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	N(C[6]C[6]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|H<1>,1|O<1>,2|C<4>}	122.7120	0.000	1	122.7120	0.000	1	124.4080	2.220	3	124.4080	2.220	3	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:3:1:	3:3:3:	C[6]-3:C-4:H-1:	C[6a]-3:N-3:N-3:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(CC[6a]HN)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(NC[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	N(C[6]C[6]N[6])(CC[6a]HN)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(NC[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	123.7670	0.000	1	123.7670	0.000	1	123.7670	0.000	1	123.7670	0.000	1	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:3:3:	3:3:3:	C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CC[6a]3)(H)	C(C[6a]C[6a]2)3(NC[6]H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NCH)	N(C[6]C[6]N[6])(CC[6a]3)(H)	C(C[6a]C[6a]2)3(NC[6]H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	127.8550	0.284	2	127.8550	0.081	2	127.7880	0.111	6	127.7880	0.111	6	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:3:3:	3:3:3:	C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CC[6a]3)(H)	C(C[6a]C[6a]2)3(NC[6]H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH)	N(C[6]C[6]N[6])(CC[6a]3)(H)	C(C[6a]C[6a]2)3(NC[6]H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	127.5205	0.111	2	127.5205	0.012	2	127.7880	0.111	6	127.7880	0.111	6	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:3:3:	3:3:3:	C[6]-3:C-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CC[6a]3)(H)	C(C[6a]C[6a]2)3(NC[6]H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH)	N(C[6]C[6]N[6])(CC[6a]3)(H)	C(C[6a]C[6a]2)3(NC[6]H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	127.9885	0.482	2	127.9885	0.232	2	127.7880	0.111	6	127.7880	0.111	6	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:4:1:	3:3:3:	C[6]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6]H)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	N(C[6]C[6]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6]H)(CCHH)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	125.5100	0.112	2	125.5100	0.012	2	125.5100	0.012	2	124.8863	1.173	3	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:4:1:	3:3:3:	C[6]-3:C-4:H-1:	C[6a]-3:N-3:P-4:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(CC[6a]HP)(H)	C(C[6a]C[6a]2)(NC[6]H)(PO3)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	N(C[6]C[6]N[6])(CC[6a]HP)(H)	C(C[6a]C[6a]2)(NC[6]H)(PO3)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	123.6390	0.000	1	123.6390	0.000	1	123.6390	0.000	1	124.8863	1.173	3	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:4:1:	4:3:3:	C[6]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6]-4:C[6]-3:N-3:	N(C[6]C[6]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	N(C[6]C[6]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6]H)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|N<3>,1|O<1>,2|H<1>}	124.9080	0.000	1	124.9080	0.000	1	125.6040	0.969	2	125.6040	0.969	2	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:3:4:1:	4:3:3:	C[6]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6]-4:C[6]-3:N-3:	N(C[6]C[6]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6]H)(CHHO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	N(C[6]C[6]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6]H)(CHHO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|C<4>,4|H<1>}	126.3000	0.000	1	126.3000	0.000	1	125.6040	0.969	2	125.6040	0.969	2	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	2:2:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6]-2:N[6]-2:N-3:	N(C[6]N[6]2)(CCHH)(H)	C(NC[6]H)(CH3)(H)2	C[6](N[6]C[6])2(NCH)	N(C[6]N[6]2)(CCHH)(H)	C(NC[6]H)(CH3)(H)2	C[6](N[6]C[6])2(NCH){1|S<2>,2|N<3>}	124.4775	0.414	2	124.4775	0.171	2	124.4775	0.171	2	124.4775	0.171	2	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	2:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6]-2:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CH3)(H)2	C[6](C[6]C[6,6])(C[6]C[6]C)(NCH)	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CH3)(H)2	C[6](C[6]C[6,6])(C[6]C[6]C)(NCH){1|C<3>,1|O<2>}	124.7740	0.000	1	124.7740	0.000	1	124.7740	0.000	1	122.5215	10.148	2	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	2:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6]-2:N[6]-3:N-3:	N(C[6]N[6]2)(CCHH)(H)	C(NC[6]H)(CHHO)(H)2	C[6](N[6]C[5a,6])(N[6]C[6]H)(NCH)	N(C[6]N[6]2)(CCHH)(H)	C(NC[6]H)(CHHO)(H)2	C[6](N[6]C[5a,6])(N[6]C[6]H)(NCH){1|C<3>,2|N<3>}	120.2690	0.000	1	120.2690	0.000	1	120.2690	0.000	1	122.5215	10.148	2	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:2:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5a,6]-3:N[6]-2:N-3:	N(C[6]C[5a,6]N[6])(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH)	N(C[6]C[5a,6]N[6])(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	122.1860	0.000	1	122.1860	0.000	1	122.5220	0.226	2	123.0635	1.951	15	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:2:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5a,6]-3:N[6]-2:N-3:	N(C[6]C[5a,6]N[6])(CCHH)(H)	C(NC[6]H)(CHHN)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH)	N(C[6]C[5a,6]N[6])(CCHH)(H)	C(NC[6]H)(CHHN)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	122.8580	0.000	1	122.8580	0.000	1	122.5220	0.226	2	123.0635	1.951	15	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:2:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6,6a]-3:N[6]-2:N-3:	N(C[6]C[6,6a]N[6])(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NCH)	N(C[6]C[6,6a]N[6])(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6])(NCH){1|H<1>,2|C<3>,2|N<3>}	124.7910	0.000	1	124.7910	0.000	1	124.7910	0.000	1	123.0635	1.951	15	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:2:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N(C[6]N[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](N[6]C[6]C)(N[6]C[6])(NCH)	N(C[6]N[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](N[6]C[6]C)(N[6]C[6])(NCH){1|C<4>,4|H<1>}	120.3060	0.573	2	120.3060	0.328	2	122.7976	1.754	11	123.0635	1.951	15	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:2:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N(C[6]N[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	N(C[6]N[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|C<3>,2|H<1>}	123.8490	0.000	1	123.4908	0.182	5	122.7976	1.754	11	123.0635	1.951	15	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:2:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N(C[6]N[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	N(C[6]N[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|N<2>,2|N<3>}	123.4013	0.434	4	123.4908	0.182	5	122.7976	1.754	11	123.0635	1.951	15	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:2:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N(C[6]N[6]2)(CCHH)(H)	C(NC[6]H)(CH3)(H)2	C[6](N[6]C[6]Cu)(N[6]C[6])(NCH)	N(C[6]N[6]2)(CCHH)(H)	C(NC[6]H)(CH3)(H)2	C[6](N[6]C[6]Cu)(N[6]C[6])(NCH){1|C<3>,2|H<1>}	123.8840	0.000	1	123.8840	0.000	1	122.7976	1.754	11	123.0635	1.951	15	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:2:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N(C[6]N[6]2)(CCHH)(H)	C(NC[6]H)(CH3)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	N(C[6]N[6]2)(CCHH)(H)	C(NC[6]H)(CH3)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|O<1>,2|N<3>}	123.0390	0.604	2	123.0390	0.365	2	122.7976	1.754	11	123.0635	1.951	15	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:2:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N(C[6]N[6]2)(CCHH)(H)	C(NC[6]H)(CHHN)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	N(C[6]N[6]2)(CCHH)(H)	C(NC[6]H)(CHHN)(H)2	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|C<3>,2|H<1>}	122.7460	0.000	1	122.7460	0.000	1	122.7976	1.754	11	123.0635	1.951	15	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:2:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6]-3:O[6]-2:N-3:	N(C[6]N[6]O[6])(CCHH)(H)	C(NC[6]H)(CH3)(H)2	C[6](N[6]C[6]H)(O[6]C[6])(NCH)	N(C[6]N[6]O[6])(CCHH)(H)	C(NC[6]H)(CH3)(H)2	C[6](N[6]C[6]H)(O[6]C[6])(NCH){1|H<1>,3|C<3>}	125.3430	0.000	1	125.3430	0.000	1	125.3430	0.000	1	123.0635	1.951	15	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5a,6]-3:N[6]-3:N-3:	N(C[6]C[5a,6]N[6])(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH)	N(C[6]C[5a,6]N[6])(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	124.9505	2.256	2	124.9505	5.091	2	124.9505	5.091	2	125.9689	6.387	66	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6,6a]-3:C[6,6a]-3:N-3:	N(C[6]C[6,6a]2)(CCHH)(H)	C(NC[6]H)(CHHN)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)	N(C[6]C[6,6a]2)(CCHH)(H)	C(NC[6]H)(CHHN)(H)2	C[6](C[6,6a]C[6,6a]C[6a])2(NCH){1|N<3>,2|H<1>,4|C<3>}	131.5982	1.420	5	131.5982	2.017	5	131.5982	2.017	5	125.9689	6.387	66	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:N-3:	N(C[6]C[6,6a]C[6])(CCHH)(H)	C(NC[6]H)(CClHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCH)	N(C[6]C[6,6a]C[6])(CCHH)(H)	C(NC[6]H)(CClHH)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	124.3220	0.000	1	124.3220	0.000	1	123.6900	0.442	4	125.9689	6.387	66	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:N-3:	N(C[6]C[6,6a]C[6])(CCHH)(H)	C(NC[6]H)(CHHN)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCH)	N(C[6]C[6,6a]C[6])(CCHH)(H)	C(NC[6]H)(CHHN)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	123.5890	0.849	2	123.5890	0.720	2	123.6900	0.442	4	125.9689	6.387	66	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:N-3:	N(C[6]C[6,6a]C[6])(CCHH)(H)	C(NC[6]H)(CHHO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCH)	N(C[6]C[6,6a]C[6])(CCHH)(H)	C(NC[6]H)(CHHO)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	123.2600	0.000	1	123.2600	0.000	1	123.6900	0.442	4	125.9689	6.387	66	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CC3)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CC3)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	126.6710	2.267	3	126.6710	5.139	3	125.8405	3.566	37	125.9689	6.387	66	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCCH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCCH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|O<1>}	123.0320	0.000	1	123.0320	0.000	1	125.8405	3.566	37	125.9689	6.387	66	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH)	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH){1|O<1>,2|C<3>}	130.6480	0.000	1	130.6480	0.000	1	125.8405	3.566	37	125.9689	6.387	66	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	125.1060	0.000	1	125.4440	0.228	2	125.8405	3.566	37	125.9689	6.387	66	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<2>,2|C<3>}	125.7820	0.000	1	125.4440	0.228	2	125.8405	3.566	37	125.9689	6.387	66	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH)	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH){1|O<1>,2|C<3>}	128.6190	0.000	1	128.6190	0.000	1	125.8405	3.566	37	125.9689	6.387	66	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(NCH)	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](C[6]C[6]C)(C[6]C[6]O)(NCH){1|C<3>,1|C<4>,1|O<1>}	124.6480	0.000	1	124.6480	0.000	1	125.8405	3.566	37	125.9689	6.387	66	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|C<4>,1|N<3>}	126.5445	1.307	2	125.6347	1.702	22	125.8405	3.566	37	125.9689	6.387	66	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<2>}	127.2830	1.764	2	125.6347	1.702	22	125.8405	3.566	37	125.9689	6.387	66	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	124.7237	0.984	10	125.6347	1.702	22	125.8405	3.566	37	125.9689	6.387	66	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|O<1>}	126.0175	0.868	2	125.6347	1.702	22	125.8405	3.566	37	125.9689	6.387	66	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|N<3>,2|C<3>}	126.1727	0.900	6	125.6347	1.702	22	125.8405	3.566	37	125.9689	6.387	66	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](C[6]C[6]H)2(NCH)	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](C[6]C[6]H)2(NCH){1|C<3>,1|H<1>,1|O<1>}	124.5620	0.000	1	124.5620	0.000	1	125.8405	3.566	37	125.9689	6.387	66	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CH3)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH)	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CH3)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH){1|O<1>,2|C<3>}	131.0710	0.000	1	131.0710	0.000	1	125.8405	3.566	37	125.9689	6.387	66	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	124.8450	1.615	2	124.8450	2.608	2	125.8405	3.566	37	125.9689	6.387	66	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CHHN)(H)2	C[6](C[6]C[6]H)2(NCH)	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CHHN)(H)2	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	124.4825	1.180	2	124.4825	1.393	2	125.8405	3.566	37	125.9689	6.387	66	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(NCH)	N(C[6]C[6]N[6])(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](C[6]C[6]C)(N[6]C[6]C)(NCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	130.2280	0.000	1	130.2280	0.000	1	126.0133	14.100	3	125.9689	6.387	66	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(CCHH)(H)	C(NC[6]H)(CHHN)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(NCH)	N(C[6]C[6]N[6])(CCHH)(H)	C(NC[6]H)(CHHN)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(NCH){1|C<3>,2|H<1>}	123.0240	0.000	1	123.0240	0.000	1	126.0133	14.100	3	125.9689	6.387	66	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(CCHH)(H)	C(NC[6]H)(CHPP)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	N(C[6]C[6]N[6])(CCHH)(H)	C(NC[6]H)(CHPP)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	124.7880	0.000	1	124.7880	0.000	1	126.0133	14.100	3	125.9689	6.387	66	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CCHH)(H)	C(NC[6]H)(CC3)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH)	N(C[6]C[6]N[6])(CCHH)(H)	C(NC[6]H)(CC3)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	125.0433	2.225	4	125.0433	4.950	4	125.1436	3.711	15	125.9689	6.387	66	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CCHH)(H)	C(NC[6]H)(CC3)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH)	N(C[6]C[6]N[6])(CCHH)(H)	C(NC[6]H)(CC3)(H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	125.3390	2.513	3	125.3390	6.316	3	125.1436	3.711	15	125.9689	6.387	66	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CCHH)(H)	C(NC[6]H)(CC3)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH)	N(C[6]C[6]N[6])(CCHH)(H)	C(NC[6]H)(CC3)(H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	124.7913	1.742	6	124.7913	3.035	6	125.1436	3.711	15	125.9689	6.387	66	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CCHH)(H)	C(NC[6]H)(CHHN)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NCH)	N(C[6]C[6]N[6])(CCHH)(H)	C(NC[6]H)(CHHN)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	127.9150	0.000	1	127.9150	0.000	1	125.1436	3.711	15	125.9689	6.387	66	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CCHH)(H)	C(NC[6]H)(CHHP)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH)	N(C[6]C[6]N[6])(CCHH)(H)	C(NC[6]H)(CHHP)(H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	124.3010	0.000	1	124.3010	0.000	1	125.1436	3.711	15	125.9689	6.387	66	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	4:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCHH)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	127.8990	0.000	1	127.8990	0.000	1	125.1860	5.528	3	125.1860	5.528	3	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	4:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCHO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CCHO)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	123.7400	0.000	1	123.7400	0.000	1	125.1860	5.528	3	125.1860	5.528	3	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	4:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CHHN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	N(C[6]C[6]2)(CCHH)(H)	C(NC[6]H)(CHHN)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|O<1>,1|O<2>,2|C<4>}	123.9190	0.000	1	123.9190	0.000	1	125.1860	5.528	3	125.1860	5.528	3	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:4:1:	3:2:3:	C[6]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	C[6]-3:S[6]-2:N-3:	N(C[6]C[6]S[6])(CCCH)(H)	C(NC[6]H)(CH3)2(H)	C[6](C[6]C[6]C)(S[6]C[6])(NCH)	N(C[6]C[6]S[6])(CCCH)(H)	C(NC[6]H)(CH3)2(H)	C[6](C[6]C[6]C)(S[6]C[6])(NCH){1|N<3>,1|O<1>,2|C<4>}	125.5780	0.000	1	125.5780	0.000	1	125.5780	0.000	1	123.9566	1.066	5	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:4:1:	3:2:3:	C[6]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	N[6,6]-3:N[6]-2:N-3:	N(C[6]N[6,6]N[6])(CCCH)(H)	C(NC[6]H)(CH3)2(H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6,6a])(NCH)	N(C[6]N[6,6]N[6])(CCCH)(H)	C(NC[6]H)(CH3)2(H)	C[6](N[6,6]C[6,6]C[6])(N[6]C[6,6a])(NCH){1|H<1>,1|N<3>,1|S<1>,3|C<3>}	123.1110	0.000	1	123.1110	0.000	1	123.1110	0.000	1	123.9566	1.066	5	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:4:1:	3:2:3:	C[6]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	N[6]-3:N[6]-2:N-3:	N(C[6]N[6]2)(CCCH)(H)	C(NC[6]H)(CH3)2(H)	C[6](N[6]C[6,6a]H)(N[6]S[6])(NCH)	N(C[6]N[6]2)(CCCH)(H)	C(NC[6]H)(CH3)2(H)	C[6](N[6]C[6,6a]H)(N[6]S[6])(NCH){2|C<3>,2|O<1>}	124.1570	0.000	1	124.1570	0.000	1	123.6980	0.360	3	123.9566	1.066	5	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:4:1:	3:2:3:	C[6]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	N[6]-3:N[6]-2:N-3:	N(C[6]N[6]2)(CCCH)(H)	C(NC[6]H)(CH3)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(NCH)	N(C[6]N[6]2)(CCCH)(H)	C(NC[6]H)(CH3)2(H)	C[6](N[6]C[6]H)(N[6]C[6])(NCH){1|N<2>,1|N<3>,1|S<2>}	123.4685	0.636	2	123.4685	0.404	2	123.6980	0.360	3	123.9566	1.066	5	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:4:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:N-3:	N(C[6]C[6,6a]2)(CCCH)(H)	C(NC[6]H)(CCHH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)	N(C[6]C[6,6a]2)(CCCH)(H)	C(NC[6]H)(CCHH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH){1|N<3>,2|H<1>,4|C<3>}	132.0735	1.247	2	131.5980	1.455	3	131.5980	1.455	3	127.2835	7.944	13	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:4:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	C[6,6a]-3:C[6,6a]-3:N-3:	N(C[6]C[6,6a]2)(CCCH)(H)	C(NC[6]H)(CCHH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH)	N(C[6]C[6,6a]2)(CCCH)(H)	C(NC[6]H)(CCHH)(CH3)(H)	C[6](C[6,6a]C[6,6a]C[6a])2(NCH){1|O<2>,2|H<1>,4|C<3>}	130.6470	0.000	1	131.5980	1.455	3	131.5980	1.455	3	127.2835	7.944	13	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:4:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CCCH)(H)	C(NC[6]H)(CH3)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	N(C[6]C[6]2)(CCCH)(H)	C(NC[6]H)(CH3)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	126.1927	0.920	3	126.1927	0.847	3	126.1927	0.847	3	127.2835	7.944	13	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:4:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:P-4:P-4:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CHPP)(H)	C(NC[6]H)(PO3)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	N(C[6]C[6]2)(CHPP)(H)	C(NC[6]H)(PO3)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	124.9750	0.851	2	124.9750	0.725	2	124.5680	0.859	3	127.2835	7.944	13	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:4:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:P-4:P-4:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CHPP)(H)	C(NC[6]H)(PO3)2(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NCH)	N(C[6]C[6]2)(CHPP)(H)	C(NC[6]H)(PO3)2(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	123.7540	0.000	1	123.7540	0.000	1	124.5680	0.859	3	127.2835	7.944	13	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:4:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:P-4:P-4:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(CHPP)(H)	C(NC[6]H)(PO3)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NCH)	N(C[6]C[6]N[6])(CHPP)(H)	C(NC[6]H)(PO3)2(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	128.0030	0.000	1	128.0030	0.000	1	126.9022	2.296	4	127.2835	7.944	13	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:4:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:P-4:P-4:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(CHPP)(H)	C(NC[6]H)(PO3)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	N(C[6]C[6]N[6])(CHPP)(H)	C(NC[6]H)(PO3)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	126.5353	1.624	3	126.5353	2.637	3	126.9022	2.296	4	127.2835	7.944	13	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:4:1:	4:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	C[6]-4:C[6]-3:N-3:	N(C[6]C[6]2)(CCCH)(H)	C(NC[6]H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	N(C[6]C[6]2)(CCCH)(H)	C(NC[6]H)(CH3)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|O<1>,3|C<4>}	125.3560	0.000	1	125.3560	0.000	1	125.3560	0.000	1	125.3560	0.000	1	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:4:4:	2:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	N[6]-2:N[6]-3:N-3:	N(C[6]N[6]2)(CC3)(H)	C(NC[6]H)(CH3)3	C[6](N[6]C[6,6a])(N[6]C[6]N)(NCH)	N(C[6]N[6]2)(CC3)(H)	C(NC[6]H)(CH3)3	C[6](N[6]C[6,6a])(N[6]C[6]N)(NCH){1|H<1>,2|C<3>}	127.1145	0.146	2	127.1145	0.021	2	127.1145	0.021	2	128.7638	3.177	5	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:4:4:	2:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	O[6]-2:C[6]-3:N-3:	N(C[6]C[6]O[6])(CC3)(H)	C(NC[6]H)(CH3)3	C[6](O[6]C[6,6])(C[6]C[6]C)(NCH)	N(C[6]C[6]O[6])(CC3)(H)	C(NC[6]H)(CH3)3	C[6](O[6]C[6,6])(C[6]C[6]C)(NCH){1|C<4>,1|H<1>,2|C<3>}	129.0920	0.226	2	129.0920	0.051	2	129.8633	1.810	3	128.7638	3.177	5	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:4:4:	2:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	O[6]-2:C[6]-3:N-3:	N(C[6]C[6]O[6])(CC3)(H)	C(NC[6]H)(CH3)3	C[6](O[6]C[6,6a])(C[6]C[6]C)(NCH)	N(C[6]C[6]O[6])(CC3)(H)	C(NC[6]H)(CH3)3	C[6](O[6]C[6,6a])(C[6]C[6]C)(NCH){1|H<1>,3|C<3>}	131.4060	0.000	1	131.4060	0.000	1	129.8633	1.810	3	128.7638	3.177	5	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:4:4:	3:2:3:	C[6]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[6]-3:O[6]-2:N-3:	N(C[6]C[6]O[6])(CC3)(H)	C(NC[6]H)(CH3)3	C[6](C[6]C[6]C)(O[6]C[6])(NCH)	N(C[6]C[6]O[6])(CC3)(H)	C(NC[6]H)(CH3)3	C[6](C[6]C[6]C)(O[6]C[6])(NCH){1|C<4>,1|H<1>,2|C<3>}	128.6480	0.000	1	129.0795	0.372	2	129.0795	0.372	2	126.9367	2.906	6	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:4:4:	3:2:3:	C[6]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[6]-3:O[6]-2:N-3:	N(C[6]C[6]O[6])(CC3)(H)	C(NC[6]H)(CH3)3	C[6](C[6]C[6]C)(O[6]C[6])(NCH)	N(C[6]C[6]O[6])(CC3)(H)	C(NC[6]H)(CH3)3	C[6](C[6]C[6]C)(O[6]C[6])(NCH){1|H<1>,3|C<3>}	129.5110	0.000	1	129.0795	0.372	2	129.0795	0.372	2	126.9367	2.906	6	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:4:4:	3:2:3:	C[6]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	N[5,6]-3:N[6]-2:N-3:	N(C[6]N[5,6]N[6])(CC3)(H)	C(NC[6]H)(CH3)3	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a])(NCH)	N(C[6]N[5,6]N[6])(CC3)(H)	C(NC[6]H)(CH3)3	C[6](N[5,6]C[5,6]N[5])(N[6]C[6,6a])(NCH){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	126.1070	0.387	2	126.1070	0.150	2	126.1070	0.150	2	126.9367	2.906	6	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:4:4:	3:2:3:	C[6]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	N[5a,6]-3:N[6]-2:N-3:	N(C[6]N[5a,6]N[6])(CC3)(H)	C(NC[6]H)(CH3)3	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a])(NCH)	N(C[6]N[5a,6]N[6])(CC3)(H)	C(NC[6]H)(CH3)3	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[6,6a])(NCH){4|C<3>}	125.6110	0.000	1	125.6110	0.000	1	125.6110	0.000	1	126.9367	2.906	6	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:4:4:	3:2:3:	C[6]-3:C-4:O-1:	N-3:C-4:C-4:C-4:	C[6]-3:C[6]-2:N-3:	N(C[6]C[6]2)(CC3)(O)	C(NC[6]O)(CH3)3	C[6](C[6]C[6]H)(C[6]C[6])(NCO)	N(C[6]C[6]2)(CC3)(O)	C(NC[6]O)(CH3)3	C[6](C[6]C[6]H)(C[6]C[6])(NCO){1|C<4>,1|N<3>}	125.6360	0.000	1	125.6360	0.000	1	125.6360	0.000	1	126.9367	2.906	6	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:4:4:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[5a,6]-3:N[6]-3:N-3:	N(C[6]C[5a,6]N[6])(CC3)(H)	C(NC[6]H)(CH3)3	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH)	N(C[6]C[5a,6]N[6])(CC3)(H)	C(NC[6]H)(CH3)3	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH){1|C<4>,2|H<1>,3|C<3>}	129.4840	0.000	1	129.4840	0.000	1	129.4840	0.000	1	127.7587	4.139	12	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:4:4:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[6,6a]-3:N[6]-3:N-3:	N(C[6]C[6,6a]N[6])(CC3)(H)	C(NC[6]H)(CH3)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)	N(C[6]C[6,6a]N[6])(CC3)(H)	C(NC[6]H)(CH3)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH){1|C<4>,2|C<3>,3|H<1>}	128.7200	0.000	1	129.0107	0.105	3	129.0107	0.105	3	127.7587	4.139	12	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:4:4:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[6,6a]-3:N[6]-3:N-3:	N(C[6]C[6,6a]N[6])(CC3)(H)	C(NC[6]H)(CH3)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)	N(C[6]C[6,6a]N[6])(CC3)(H)	C(NC[6]H)(CH3)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH){1|C<4>,2|H<1>,3|C<3>}	129.3590	0.000	1	129.0107	0.105	3	129.0107	0.105	3	127.7587	4.139	12	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:4:4:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[6,6a]-3:N[6]-3:N-3:	N(C[6]C[6,6a]N[6])(CC3)(H)	C(NC[6]H)(CH3)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH)	N(C[6]C[6,6a]N[6])(CC3)(H)	C(NC[6]H)(CH3)3	C[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6]H)(NCH){1|H<1>,2|C<3>,3|C<4>}	128.9530	0.000	1	129.0107	0.105	3	129.0107	0.105	3	127.7587	4.139	12	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:4:4:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CC3)(H)	C(NC[6]H)(CH3)3	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	N(C[6]C[6]2)(CC3)(H)	C(NC[6]H)(CH3)3	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,2|C<4>}	130.7570	0.000	1	130.7570	0.000	1	130.7570	0.000	1	127.7587	4.139	12	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:4:4:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CC3)(H)	C(NC[6]H)(CH3)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH)	N(C[6]C[6]N[6])(CC3)(H)	C(NC[6]H)(CH3)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	129.3360	0.000	1	129.3360	0.000	1	129.3360	0.000	1	127.7587	4.139	12	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:4:4:	3:3:3:	C[6]-3:C-4:O-1:	N-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CC3)(O)	C(NC[6]O)(CH3)3	C[6](C[6]C[6]H)2(NCO)	N(C[6]C[6]2)(CC3)(O)	C(NC[6]O)(CH3)3	C[6](C[6]C[6]H)2(NCO){1|C<3>,1|H<1>,1|N<3>}	128.6930	0.000	1	126.0825	1.860	6	126.0825	1.860	6	127.7587	4.139	12	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:4:4:	3:3:3:	C[6]-3:C-4:O-1:	N-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CC3)(O)	C(NC[6]O)(CH3)3	C[6](C[6]C[6]H)2(NCO)	N(C[6]C[6]2)(CC3)(O)	C(NC[6]O)(CH3)3	C[6](C[6]C[6]H)2(NCO){1|C<4>,1|H<1>,1|N<3>}	125.0880	0.000	1	126.0825	1.860	6	126.0825	1.860	6	127.7587	4.139	12	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	3:4:4:4:	3:3:3:	C[6]-3:C-4:O-1:	N-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CC3)(O)	C(NC[6]O)(CH3)3	C[6](C[6]C[6]H)2(NCO)	N(C[6]C[6]2)(CC3)(O)	C(NC[6]O)(CH3)3	C[6](C[6]C[6]H)2(NCO){1|N<3>,2|H<1>}	125.6785	0.531	4	126.0825	1.860	6	126.0825	1.860	6	127.7587	4.139	12	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	4:3:1:1:	3:2:3:	C[6]-3:C-4:H-1:	P-4:N-3:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N(C[6]N[6]2)(CHHP)(H)	C(PC[6a]2Cu)(NC[6]H)(H)2	C[6](N[6]C[6]Cu)(N[6]C[6])(NCH)	N(C[6]N[6]2)(CHHP)(H)	C(PC[6a]2Cu)(NC[6]H)(H)2	C[6](N[6]C[6]Cu)(N[6]C[6])(NCH){1|C<3>,2|H<1>}	125.9220	0.000	1	125.9220	0.000	1	125.9220	0.000	1	125.9220	0.000	1	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)(H)	C(CC[5a]HH)(NC[6]H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH)	N(C[6]C[6]2)(CCHH)(H)	C(CC[5a]HH)(NC[6]H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH){1|O<1>,2|C<3>}	132.8840	0.000	1	132.8840	0.000	1	126.3834	14.607	12	125.7768	10.288	20	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)(H)	C(CC[5a]HH)(NC[6]H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	N(C[6]C[6]2)(CCHH)(H)	C(CC[5a]HH)(NC[6]H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	121.5525	0.469	2	121.5525	0.220	2	126.3834	14.607	12	125.7768	10.288	20	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)(H)	C(CC[6]HH)(NC[6]H)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	N(C[6]C[6]2)(CCHH)(H)	C(CC[6]HH)(NC[6]H)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	125.5660	1.161	2	125.5660	1.348	2	126.3834	14.607	12	125.7768	10.288	20	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)(H)	C(CC[6a]HH)(NC[6]H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH)	N(C[6]C[6]2)(CCHH)(H)	C(CC[6a]HH)(NC[6]H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH){1|O<1>,2|C<3>}	132.8820	0.000	1	132.8820	0.000	1	126.3834	14.607	12	125.7768	10.288	20	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)(H)	C(CC[6a]HH)(NC[6]H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	N(C[6]C[6]2)(CCHH)(H)	C(CC[6a]HH)(NC[6]H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	122.4120	0.000	1	122.4120	0.000	1	126.3834	14.607	12	125.7768	10.288	20	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)(H)	C(CC[6a]HH)(NC[6]H)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	N(C[6]C[6]2)(CCHH)(H)	C(CC[6a]HH)(NC[6]H)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	127.4698	0.775	4	127.4698	0.600	4	126.3834	14.607	12	125.7768	10.288	20	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)(H)	C(CN[6]HH)(NC[6]H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	N(C[6]C[6]2)(CCHH)(H)	C(CN[6]HH)(NC[6]H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	124.3070	0.000	1	124.3070	0.000	1	126.3834	14.607	12	125.7768	10.288	20	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CC[5]HH)(H)	C(C[5]C[5,5]O[5]H)(NC[6]H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	N(C[6]C[6]2)(CC[5]HH)(H)	C(C[5]C[5,5]O[5]H)(NC[6]H)(H)2	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	122.9040	0.000	1	122.9040	0.000	1	124.9355	8.254	2	125.7768	10.288	20	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CC[5]HH)(H)	C(C[5]C[5]N[5]C)(NC[6]H)(H)2	C[6](C[6]C[6]H)2(NCH)	N(C[6]C[6]2)(CC[5]HH)(H)	C(C[5]C[5]N[5]C)(NC[6]H)(H)2	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	126.9670	0.000	1	126.9670	0.000	1	124.9355	8.254	2	125.7768	10.288	20	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	P-4:N-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CHHP)(H)	C(PC[6a]2Ag)(NC[6]H)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	N(C[6]C[6]2)(CHHP)(H)	C(PC[6a]2Ag)(NC[6]H)(H)2	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Ag<3>,1|C<3>,1|H<1>}	124.0600	0.000	1	124.0600	0.000	1	124.0600	0.000	1	125.7768	10.288	20	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	P-4:N-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CHHP)(H)	C(PC[6a]2Cu)(NC[6]H)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH)	N(C[6]C[6]N[6])(CHHP)(H)	C(PC[6a]2Cu)(NC[6]H)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	123.0885	1.429	2	123.0885	2.042	2	125.0008	3.688	5	125.7768	10.288	20	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	P-4:N-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CHHP)(H)	C(PC[6a]2Pd)(NC[6]H)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH)	N(C[6]C[6]N[6])(CHHP)(H)	C(PC[6a]2Pd)(NC[6]H)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	126.2757	0.510	3	126.2757	0.260	3	125.0008	3.688	5	125.7768	10.288	20	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:1:	4:3:4:1:	4:3:3:	C[6]-3:C-4:H-1:	C-4:N-3:C-4:H-1:	C[6]-4:C[6]-3:N-3:	N(C[6]C[6]2)(CCCH)(H)	C(CC[6a]HO)(NC[6]H)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	N(C[6]C[6]2)(CCCH)(H)	C(CC[6a]HO)(NC[6]H)(CH3)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|O<1>,3|C<4>}	123.9185	1.408	2	123.9185	1.982	2	123.9185	1.982	2	123.9185	1.982	2	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:2:	3:1:1:1:	3:2:3:	C[6]-3:C-4:N-2:	N-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:N-3:	N(C[6]C[6]N[6])(CH3)(NC)	C(NC[6]N)(H)3	C[6](C[6]C[6]H)(N[6]C[6])(NCN)	N(C[6]C[6]N[6])(CH3)(NC)	C(NC[6]N)(H)3	C[6](C[6]C[6]H)(N[6]C[6])(NCN){1|H<1>,2|N<3>}	123.2580	0.000	1	123.2580	0.000	1	123.2580	0.000	1	127.1288	4.867	5	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:2:	3:1:1:1:	3:2:3:	C[6]-3:C-4:O-2:	N-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N(C[6]N[6]2)(CH3)(OMo)	C(NC[6]O)(H)3	C[6](N[6]C[6]Mo)(N[6]C[6])(NCO)	N(C[6]N[6]2)(CH3)(OMo)	C(NC[6]O)(H)3	C[6](N[6]C[6]Mo)(N[6]C[6])(NCO){1|N<2>,2|N<3>}	128.0965	0.496	4	128.0965	0.246	4	128.0965	0.246	4	127.1288	4.867	5	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:2:	3:1:1:1:	3:3:3:	C[6]-3:C-4:N-2:	N-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(CH3)(NC)	C(NC[6]N)(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(NCN)	N(C[6]C[6]N[6])(CH3)(NC)	C(NC[6]N)(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(NCN){1|C<3>,2|H<1>}	123.0397	0.442	3	123.0397	0.196	3	123.0397	0.196	3	123.0397	0.196	3	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:2:	3:4:4:4:	3:2:3:	C[6]-3:C-4:O-2:	N-3:C-4:C-4:C-4:	N[6]-3:C[6]-2:N-3:	N(C[6]C[6]N[6])(CC3)(ONi)	C(NC[6]O)(CH3)3	C[6](N[6]C[6]Ni)(C[6]C[6])(NCO)	N(C[6]C[6]N[6])(CC3)(ONi)	C(NC[6]O)(CH3)3	C[6](N[6]C[6]Ni)(C[6]C[6])(NCO){1|C<3>,2|H<1>}	127.4820	0.000	1	127.4820	0.000	1	127.4820	0.000	1	127.4820	0.000	1	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:2:	3:4:4:4:	3:3:3:	C[6]-3:C-4:O-2:	N-3:C-4:C-4:C-4:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CC3)(OAl)	C(NC[6]O)(CH3)3	C[6](N[6]C[6]Al)(C[6]C[6]H)(NCO)	N(C[6]C[6]N[6])(CC3)(OAl)	C(NC[6]O)(CH3)3	C[6](N[6]C[6]Al)(C[6]C[6]H)(NCO){1|C<3>,2|H<1>}	128.9410	0.349	2	128.9410	0.122	2	127.2159	1.063	9	127.2159	1.063	9	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:2:	3:4:4:4:	3:3:3:	C[6]-3:C-4:O-2:	N-3:C-4:C-4:C-4:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CC3)(ONi)	C(NC[6]O)(CH3)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NCO)	N(C[6]C[6]N[6])(CC3)(ONi)	C(NC[6]O)(CH3)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NCO){1|C<3>,2|H<1>}	126.5048	0.133	4	126.7230	0.122	7	127.2159	1.063	9	127.2159	1.063	9	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:2:	3:4:4:4:	3:3:3:	C[6]-3:C-4:O-2:	N-3:C-4:C-4:C-4:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CC3)(ONi)	C(NC[6]O)(CH3)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NCO)	N(C[6]C[6]N[6])(CC3)(ONi)	C(NC[6]O)(CH3)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NCO){1|H<1>,2|C<3>}	127.0140	0.342	3	126.7230	0.122	7	127.2159	1.063	9	127.2159	1.063	9	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:3:	3:1:1:1:	3:2:3:	C[6]-3:C-4:N-3:	N-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:N-3:	N(C[6]C[6]N[6])(CH3)(NOO)	C(NC[6]N)(H)3	C[6](C[6]N[6]N)(N[6]C[6])(NCN)	N(C[6]C[6]N[6])(CH3)(NOO)	C(NC[6]N)(H)3	C[6](C[6]N[6]N)(N[6]C[6])(NCN){1|C<3>,1|N<3>,1|O<1>}	120.3580	0.000	1	120.3580	0.000	1	120.3580	0.000	1	120.3580	0.000	1	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:3:	3:1:1:1:	3:3:3:	C[6]-3:C-4:N-3:	N-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CH3)(NOO)	C(NC[6]N)(H)3	C[6](C[6]C[6]H)2(NCN)	N(C[6]C[6]2)(CH3)(NOO)	C(NC[6]N)(H)3	C[6](C[6]C[6]H)2(NCN){1|N<3>,2|H<1>}	121.8203	1.448	3	121.8203	2.098	3	121.8203	2.098	3	121.8203	2.098	3	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:3:	3:3:1:1:	3:3:3:	C[6]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6,6a]-3:C[6]-3:N-3:	N(C[6]C[6,6a]C[6])(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCC)	N(C[6]C[6,6a]C[6])(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCC){1|C<4>,2|C<3>,3|H<1>}	117.3320	0.000	1	117.3320	0.000	1	117.3320	0.000	1	117.3320	0.000	1	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:3:	3:3:1:1:	4:3:3:	C[6]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	N(C[6]C[6]2)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCC)	N(C[6]C[6]2)(CC[6a]HH)(CCO)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCC){1|C<4>,4|H<1>}	116.5710	0.000	1	116.5710	0.000	1	116.5710	0.000	1	116.5710	0.000	1	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:3:	3:4:1:1:	3:3:3:	C[6]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(CCHH)(CHN)	C(NC[6]C)(CCHH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(NCC)	N(C[6]C[6]N[6])(CCHH)(CHN)	C(NC[6]C)(CCHH)(H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(NCC){1|C<3>,2|H<1>}	124.0140	0.000	1	124.0140	0.000	1	124.0140	0.000	1	120.6880	22.125	2	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:3:	3:4:1:1:	3:3:3:	C[6]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CCHH)(CIrC)	C(NC[6]C)(CH3)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCC)	N(C[6]C[6]N[6])(CCHH)(CIrC)	C(NC[6]C)(CH3)(H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCC){1|C<3>,2|H<1>}	117.3620	0.000	1	117.3620	0.000	1	117.3620	0.000	1	120.6880	22.125	2	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:3:	3:4:1:1:	4:3:3:	C[6]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)(CIrN)	C(NC[6]C)(CCHH)(H)2	C[6](C[6]C[6]IrC)(C[6]C[6]C)(NCC)	N(C[6]C[6]2)(CCHH)(CIrN)	C(NC[6]C)(CCHH)(H)2	C[6](C[6]C[6]IrC)(C[6]C[6]C)(NCC){1|C<3>,2|H<1>}	111.9690	0.000	1	111.9690	0.000	1	115.8090	29.491	2	115.8090	29.491	2	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:3:	3:4:1:1:	4:3:3:	C[6]-3:C-4:C-3:	N-3:C-4:H-1:H-1:	C[6]-4:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)(COO)	C(NC[6]C)(CCHH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(NCC)	N(C[6]C[6]2)(CCHH)(COO)	C(NC[6]C)(CCHH)(H)2	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(NCC){1|C<3>,1|C<4>,3|H<1>}	119.6490	0.000	1	119.6490	0.000	1	115.8090	29.491	2	115.8090	29.491	2	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	2:2:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-2:N[6]-2:N-3:	N(C[6]N[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6])(N[6]P[6])(NCC)	N(C[6]N[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6])(N[6]P[6])(NCC){1|N<2>,1|N<3>,2|O<2>}	121.8614	0.736	16	121.8171	0.466	30	121.7131	0.727	44	121.7131	0.727	44	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	2:2:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-2:N[6]-2:N-3:	N(C[6]N[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6])(N[6]P[6])(NCC)	N(C[6]N[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6])(N[6]P[6])(NCC){1|N<2>,3|N<3>}	121.9173	0.536	12	121.8171	0.466	30	121.7131	0.727	44	121.7131	0.727	44	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	2:2:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-2:N[6]-2:N-3:	N(C[6]N[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6])(N[6]P[6])(NCC)	N(C[6]N[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6])(N[6]P[6])(NCC){2|Cl<1>,1|N<2>,1|N<3>}	120.8625	0.508	2	121.8171	0.466	30	121.7131	0.727	44	121.7131	0.727	44	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	2:2:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-2:N[6]-2:N-3:	N(C[6]N[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6])(N[6]S[6])(NCC)	N(C[6]N[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6])(N[6]S[6])(NCC){1|C<3>,1|N<3>,2|O<1>}	120.8275	1.815	2	120.8275	3.295	2	121.7131	0.727	44	121.7131	0.727	44	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	2:2:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-2:N[6]-2:N-3:	N(C[6]N[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6])2(NCC)	N(C[6]N[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6])2(NCC){1|Co<5>,3|N<3>}	120.8090	0.618	2	121.3746	0.638	8	121.7131	0.727	44	121.7131	0.727	44	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	2:2:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-2:N[6]-2:N-3:	N(C[6]N[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6])2(NCC)	N(C[6]N[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6])2(NCC){1|Li<5>,1|N<4>,2|N<3>}	120.6125	0.228	2	121.3746	0.638	8	121.7131	0.727	44	121.7131	0.727	44	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	2:2:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-2:N[6]-2:N-3:	N(C[6]N[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6])2(NCC)	N(C[6]N[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6])2(NCC){1|N<3>,2|C<3>}	122.1220	0.393	2	121.3746	0.638	8	121.7131	0.727	44	121.7131	0.727	44	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	2:2:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-2:N[6]-2:N-3:	N(C[6]N[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6])2(NCC)	N(C[6]N[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6])2(NCC){3|N<3>}	121.9550	0.535	2	121.3746	0.638	8	121.7131	0.727	44	121.7131	0.727	44	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	2:2:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-2:N[6]-2:N-3:	N(C[6]N[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](N[6]Si[6])(N[6]C[6])(NCC)	N(C[6]N[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](N[6]Si[6])(N[6]C[6])(NCC){2|Cl<1>,2|N<3>}	122.0528	1.494	4	122.0528	2.231	4	121.7131	0.727	44	121.7131	0.727	44	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:2:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5a,6]-3:N[6]-2:N-3:	N(C[6]C[5a,6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCC)	N(C[6]C[5a,6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCC){1|C<3>,1|H<1>,2|N<3>}	122.3855	2.272	2	122.3855	5.162	2	122.3855	5.162	2	121.3283	5.416	32	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:2:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:N-3:	N(C[6]C[6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6,6]H)(N[6]C[6])(NCC)	N(C[6]C[6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6,6]H)(N[6]C[6])(NCC){1|C<3>,1|H<1>,1|N<3>}	121.1695	0.840	4	121.1695	0.706	4	121.0225	0.671	6	121.3283	5.416	32	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:2:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:N-3:	N(C[6]C[6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](C[6]N[6]H)(N[6]C[6])(NCC)	N(C[6]C[6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](C[6]N[6]H)(N[6]C[6])(NCC){1|Cu<5>,1|C<3>,1|H<1>}	120.7285	0.989	2	120.7285	0.979	2	121.0225	0.671	6	121.3283	5.416	32	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:2:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:N-3:	N(C[6]C[6]O[6])(CH3)2	C(NC[6]C)(H)3	C[6](C[6]N[6]H)(O[6]B[6])(NCC)	N(C[6]C[6]O[6])(CH3)2	C(NC[6]C)(H)3	C[6](C[6]N[6]H)(O[6]B[6])(NCC){1|O<2>,2|F<1>}	122.1760	2.967	2	122.1760	8.803	2	122.1760	8.803	2	121.3283	5.416	32	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:2:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[4,6]-3:N[6]-2:N-3:	N(C[6]N[4,6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](N[4,6]Si[4,6]2)(N[6]C[6])(NCC)	N(C[6]N[4,6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](N[4,6]Si[4,6]2)(N[6]C[6])(NCC){4|F<1>,4|N<3>}	121.8025	0.687	2	121.8025	0.471	2	121.8025	0.471	2	121.3283	5.416	32	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:2:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6,6]-3:N[6]-2:N-3:	N(C[6]N[6,6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(NCC)	N(C[6]N[6,6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](N[6,6]C[6,6]B[6])(N[6]C[6])(NCC){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	120.8275	3.990	2	120.8275	15.922	2	120.8275	15.922	2	121.3283	5.416	32	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:2:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N(C[6]N[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6]Co)(N[6]C[6])(NCC)	N(C[6]N[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6]Co)(N[6]C[6])(NCC){1|N<2>,2|N<3>}	121.7980	1.834	2	121.7980	3.364	2	121.3688	7.805	16	121.3283	5.416	32	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:2:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N(C[6]N[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6]H)(N[6]S[6])(NCC)	N(C[6]N[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6]H)(N[6]S[6])(NCC){1|C<3>,1|C<4>,1|N<3>,2|O<1>}	121.1565	2.511	2	121.1565	6.305	2	121.3688	7.805	16	121.3283	5.416	32	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:2:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N(C[6]N[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6]Li)(N[6]C[6])(NCC)	N(C[6]N[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6]Li)(N[6]C[6])(NCC){1|N<2>,1|N<3>,1|N<4>}	121.1225	0.161	2	121.1225	0.026	2	121.3688	7.805	16	121.3283	5.416	32	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:2:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N(C[6]N[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6a]C[6])(N[6]C[6])(NCC)	N(C[6]N[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6a]C[6])(N[6]C[6])(NCC){1|C<4>,2|C<3>,2|N<2>}	121.7590	5.029	2	121.8370	19.733	4	121.3688	7.805	16	121.3283	5.416	32	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:2:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N(C[6]N[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6a]C[6])(N[6]C[6])(NCC)	N(C[6]N[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6a]C[6])(N[6]C[6])(NCC){2|N<2>,3|C<3>}	121.9150	5.821	2	121.8370	19.733	4	121.3688	7.805	16	121.3283	5.416	32	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:2:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N(C[6]N[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6a]Si[6])(N[6]C[6])(NCC)	N(C[6]N[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6a]Si[6])(N[6]C[6])(NCC){2|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	121.4068	3.428	4	121.4068	11.751	4	121.3688	7.805	16	121.3283	5.416	32	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:2:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N(C[6]N[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](N[6]Si[4,6]C[6a])(N[6]C[6])(NCC)	N(C[6]N[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](N[6]Si[4,6]C[6a])(N[6]C[6])(NCC){2|C<3>,2|F<1>,3|N<3>}	120.3860	3.087	2	120.3860	9.531	2	121.3688	7.805	16	121.3283	5.416	32	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:2:3:	C[6]-3:N-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:N-3:	N(C[6]N[6]2)(NC[6]CoC)(CH3)	C(NC[6]N)(H)3	C[6](N[6]C[6]Co)(N[6]C[6])(NCN)	N(C[6]N[6]2)(NC[6]CoC)(CH3)	C(NC[6]N)(H)3	C[6](N[6]C[6]Co)(N[6]C[6])(NCN){1|N<2>,1|N<3>,1|O<2>}	122.1170	0.000	1	122.1170	0.000	1	122.1170	0.000	1	121.3283	5.416	32	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:2:3:	C[6]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:N-3:	N(C[6]C[6]N[6])(SC[6a]OO)(CH3)	C(NC[6]S)(H)3	C[6](C[6]C[6a]C[6])(N[6]C[6,6])(NCS)	N(C[6]C[6]N[6])(SC[6a]OO)(CH3)	C(NC[6]S)(H)3	C[6](C[6]C[6a]C[6])(N[6]C[6,6])(NCS){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	117.9710	0.000	1	117.9710	0.000	1	117.9710	0.000	1	121.3283	5.416	32	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-3:N-3:	N(C[6]C[5a,6]C[6])(CC[6a]HH)(CH3)	C(NC[6]C)(H)3	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(NCC)	N(C[6]C[5a,6]C[6])(CC[6a]HH)(CH3)	C(NC[6]C)(H)3	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(NCC){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	119.4020	0.000	1	119.4020	0.000	1	119.4020	0.000	1	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6,6a]-3:C[6]-3:N-3:	N(C[6]C[6,6a]C[6])(CH3)2	C(NC[6]C)(H)3	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(NCC)	N(C[6]C[6,6a]C[6])(CH3)2	C(NC[6]C)(H)3	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(NCC){1|H<1>,1|N<3>,2|C<3>}	122.3415	5.793	2	122.3415	33.563	2	122.3415	33.563	2	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)(CH3)	C(NC[6]C)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(NCC)	N(C[6]C[6]2)(CCHH)(CH3)	C(NC[6]C)(H)3	C[6](C[6]C[6]H)(C[6]C[6]O)(NCC){1|C<3>,1|C<4>,1|O<1>}	118.3750	0.000	1	118.3750	0.000	1	121.0726	1.304	846	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[4,6]H)(C[6]C[6]H)(NCC)	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[4,6]H)(C[6]C[6]H)(NCC){1|N<3>,2|C<4>}	121.7385	2.269	2	121.4333	1.906	4	121.0726	1.304	846	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[4,6]H)(C[6]C[6]H)(NCC)	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[4,6]H)(C[6]C[6]H)(NCC){1|Si<3>,1|H<1>,1|N<3>}	121.1280	0.444	2	121.4333	1.906	4	121.0726	1.304	846	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6,6]H)2(NCC)	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6,6]H)2(NCC){1|N<3>,2|N<4>}	120.4205	0.524	2	120.4205	0.275	2	121.0726	1.304	846	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCC)	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCC){1|O<1>,2|C<3>}	121.9765	4.013	4	121.9765	16.107	4	121.0726	1.304	846	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]Br)(C[6]C[6]H)(NCC)	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]Br)(C[6]C[6]H)(NCC){1|N<3>,2|H<1>}	122.3385	4.317	2	122.3385	18.636	2	121.0726	1.304	846	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]C)2(NCC)	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]C)2(NCC){1|C<4>,1|H<1>,1|N<3>}	117.1933	3.744	4	117.1933	14.016	4	121.0726	1.304	846	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]Cl)(C[6]C[6]H)(NCC)	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]Cl)(C[6]C[6]H)(NCC){1|N<3>,2|H<1>}	121.7795	4.108	2	121.7795	16.872	2	121.0726	1.304	846	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]H)2(NCC)	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]H)2(NCC){1|C<2>,2|H<1>}	120.3120	0.792	2	121.0941	1.012	823	121.0726	1.304	846	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]H)2(NCC)	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	120.8171	0.749	31	121.0941	1.012	823	121.0726	1.304	846	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]H)2(NCC)	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]H)2(NCC){1|C<4>,1|H<1>,1|N<3>}	120.9041	0.737	14	121.0941	1.012	823	121.0726	1.304	846	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]H)2(NCC)	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]H)2(NCC){1|C<4>,2|C<3>}	116.8025	4.170	4	121.0941	1.012	823	121.0726	1.304	846	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]H)2(NCC)	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]H)2(NCC){1|N<3>,1|P<4>,2|H<1>}	118.1805	2.104	2	121.0941	1.012	823	121.0726	1.304	846	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]H)2(NCC)	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|C<3>}	120.8474	0.795	18	121.0941	1.012	823	121.0726	1.304	846	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]H)2(NCC)	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|C<4>}	121.0687	2.035	6	121.0941	1.012	823	121.0726	1.304	846	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]H)2(NCC)	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	121.1406	0.884	736	121.0941	1.012	823	121.0726	1.304	846	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]H)2(NCC)	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]H)2(NCC){1|Th<13>,1|H<1>,1|N<3>}	122.4470	1.450	2	121.0941	1.012	823	121.0726	1.304	846	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]H)2(NCC)	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]H)2(NCC){1|Zr<12>,1|H<1>,1|N<3>}	121.6983	3.374	4	121.0941	1.012	823	121.0726	1.304	846	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]H)2(NCC)	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]H)2(NCC){1|Zr<13>,1|H<1>,1|N<3>}	121.0520	2.004	2	121.0941	1.012	823	121.0726	1.304	846	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]H)2(NCC)	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]H)2(NCC){1|Zr<13>,1|N<3>,2|H<1>}	121.6755	1.306	2	121.0941	1.012	823	121.0726	1.304	846	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]N)(C[6]C[6]O)(NCC)	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]N)(C[6]C[6]O)(NCC){1|C<3>,1|N<3>,1|O<1>}	119.2620	4.022	4	119.2620	16.178	4	121.0726	1.304	846	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(CC[6a]HH)(CH3)	C(NC[6]C)(H)3	C[6](C[6]C[6]C)(N[6]N[6]H)(NCC)	N(C[6]C[6]N[6])(CC[6a]HH)(CH3)	C(NC[6]C)(H)3	C[6](C[6]C[6]C)(N[6]N[6]H)(NCC){1|C<3>,1|H<1>}	119.4950	0.000	1	119.4950	0.000	1	120.8812	0.583	6	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(CC[6a]HH)(CH3)	C(NC[6]C)(H)3	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC)	N(C[6]C[6]N[6])(CC[6a]HH)(CH3)	C(NC[6]C)(H)3	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC){1|H<1>,1|N<3>,2|C<3>}	121.1380	0.000	1	121.1380	0.000	1	120.8812	0.583	6	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(NCC)	N(C[6]C[6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]H)(N[6]C[6]H)(NCC){1|C<3>,2|H<1>}	121.1635	0.450	4	121.1635	0.203	4	120.8812	0.583	6	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CC[6a]IrO)(CH3)	C(NC[6]C)(H)3	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCC)	N(C[6]C[6]N[6])(CC[6a]IrO)(CH3)	C(NC[6]C)(H)3	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCC){1|C<3>,2|H<1>}	119.3803	0.167	4	119.3803	0.028	4	120.1005	8.380	23	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(NCC)	N(C[6]C[6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(NCC){1|H<1>,2|C<3>}	122.2185	0.371	2	122.2185	0.138	2	120.1005	8.380	23	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(NCC)	N(C[6]C[6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(NCC){1|H<1>,2|C<3>}	120.1260	0.725	2	120.1260	0.526	2	120.1005	8.380	23	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCC)	N(C[6]C[6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	112.7280	2.862	2	112.7280	8.193	2	120.1005	8.380	23	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCC)	N(C[6]C[6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCC){1|H<1>,2|C<3>}	119.0155	0.827	2	119.0155	0.683	2	120.1005	8.380	23	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(NCC)	N(C[6]C[6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(NCC){2|C<3>,2|N<3>}	120.8205	1.216	4	120.8205	1.479	4	120.1005	8.380	23	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC)	N(C[6]C[6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC){1|H<1>,2|C<3>,3|N<3>}	122.1855	2.476	2	122.0933	2.278	4	120.1005	8.380	23	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC)	N(C[6]C[6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC){1|P<3>,2|C<3>,2|N<3>}	122.0010	0.820	2	122.0933	2.278	4	120.1005	8.380	23	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](N[6]Ge[6]H)(C[6]C[6]H)(NCC)	N(C[6]C[6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](N[6]Ge[6]H)(C[6]C[6]H)(NCC){2|Cl<1>,2|N<3>}	121.5775	4.017	2	121.5775	16.137	2	120.1005	8.380	23	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CIrHH)(CH3)	C(NC[6]C)(H)3	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCC)	N(C[6]C[6]N[6])(CIrHH)(CH3)	C(NC[6]C)(H)3	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCC){1|C<3>,2|H<1>}	121.8040	0.000	1	121.8040	0.000	1	120.1005	8.380	23	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:N[6]-3:N-3:	N(C[6]N[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6]C)2(NCC)	N(C[6]N[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6]C)2(NCC){1|C<4>,4|H<1>}	122.2523	0.673	8	122.2523	0.453	8	122.2523	0.453	8	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:P-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(PCCW)(CH3)	C(NC[6]P)(H)3	C[6](C[6]C[6]H)(N[6]C[6]W)(NCP)	N(C[6]C[6]N[6])(PCCW)(CH3)	C(NC[6]P)(H)3	C[6](C[6]C[6]H)(N[6]C[6]W)(NCP){1|C<3>,1|H<1>,1|N<3>}	118.1275	0.589	2	118.1275	0.347	2	118.5457	0.395	4	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:P-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(PC[6a]2W)(CH3)	C(NC[6]P)(H)3	C[6](C[6]C[6]H)(N[6]C[6]W)(NCP)	N(C[6]C[6]N[6])(PC[6a]2W)(CH3)	C(NC[6]P)(H)3	C[6](C[6]C[6]H)(N[6]C[6]W)(NCP){1|C<3>,1|H<1>,1|N<3>}	118.9640	0.372	2	118.9640	0.138	2	118.5457	0.395	4	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:P-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(PC[6a]2Cu)(CH3)	C(NC[6]P)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCP)	N(C[6]C[6]N[6])(PC[6a]2Cu)(CH3)	C(NC[6]P)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCP){1|C<3>,1|H<1>,1|N<3>}	117.5290	0.980	2	117.5290	0.960	2	118.2241	0.554	37	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:P-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(PC[6a]2Fe)(CH3)	C(NC[6]P)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCP)	N(C[6]C[6]N[6])(PC[6a]2Fe)(CH3)	C(NC[6]P)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCP){1|C<3>,1|H<1>,1|N<3>}	118.1270	0.880	3	117.8227	0.886	4	118.2241	0.554	37	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:P-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(PC[6a]2Fe)(CH3)	C(NC[6]P)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCP)	N(C[6]C[6]N[6])(PC[6a]2Fe)(CH3)	C(NC[6]P)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCP){1|C<3>,2|H<1>}	116.9100	0.000	1	117.8227	0.886	4	118.2241	0.554	37	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:P-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(PCuCC)(CH3)	C(NC[6]P)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCP)	N(C[6]C[6]N[6])(PCuCC)(CH3)	C(NC[6]P)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCP){1|C<3>,1|H<1>,1|N<3>}	116.9675	0.540	4	116.9675	0.292	4	118.2241	0.554	37	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:P-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(PFeCC)(CH3)	C(NC[6]P)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCP)	N(C[6]C[6]N[6])(PFeCC)(CH3)	C(NC[6]P)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCP){1|C<3>,1|H<1>,1|N<3>}	118.6897	0.419	14	118.6461	0.192	15	118.2241	0.554	37	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:P-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(PFeCC)(CH3)	C(NC[6]P)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCP)	N(C[6]C[6]N[6])(PFeCC)(CH3)	C(NC[6]P)(H)3	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCP){1|C<3>,2|H<1>}	118.0360	0.000	1	118.6461	0.192	15	118.2241	0.554	37	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:P-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(PMoCC)(CH3)	C(NC[6]P)(H)3	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NCP)	N(C[6]C[6]N[6])(PMoCC)(CH3)	C(NC[6]P)(H)3	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NCP){1|C<3>,1|H<1>,1|N<3>}	118.3651	0.418	12	118.3651	0.174	12	118.2241	0.554	37	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:Si-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(SiRuCC)(CH3)	C(NC[6]Si)(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NSiC)	N(C[6]C[6]N[6])(SiRuCC)(CH3)	C(NC[6]Si)(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NSiC){1|C<3>,2|H<1>}	118.1517	0.304	19	118.1517	0.093	19	118.1517	0.093	19	120.8778	1.947	946	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:4:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:N-3:	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(NCC)	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(NCC){1|In<4>,2|C<4>,5|H<1>}	111.7140	3.065	2	111.8287	9.429	4	111.8287	9.429	4	111.8287	9.429	4	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:4:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:C[6]-4:N-3:	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(NCC)	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(NCC){1|In<5>,2|C<4>,5|H<1>}	111.9435	4.341	2	111.8287	9.429	4	111.8287	9.429	4	111.8287	9.429	4	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	4:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5,6]-4:C[6]-3:N-3:	N(C[6]C[5,6]C[6])(CH3)2	C(NC[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(NCC)	N(C[6]C[5,6]C[6])(CH3)2	C(NC[6]C)(H)3	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(NCC){1|N<2>,2|C<4>,2|H<1>}	120.0205	4.649	2	120.0205	21.615	2	120.0205	21.615	2	119.8626	6.119	16	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	4:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6,6]-4:C[6]-3:N-3:	N(C[6]C[6,6]C[6])(CH3)2	C(NC[6]C)(H)3	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(NCC)	N(C[6]C[6,6]C[6])(CH3)2	C(NC[6]C)(H)3	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(NCC){2|H<1>,4|C<3>}	121.6500	4.972	2	121.6500	24.725	2	121.6500	24.725	2	119.8626	6.119	16	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	4:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:N-3:	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6,6a]C[6a]Pd)(C[6]C[6]H)(NCC)	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6,6a]C[6a]Pd)(C[6]C[6]H)(NCC){1|H<1>,4|C<3>}	122.0655	0.267	2	122.0655	0.071	2	119.7175	3.927	6	119.8626	6.119	16	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	4:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:N-3:	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(NCC)	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	118.5435	1.004	4	118.5435	1.008	4	119.7175	3.927	6	119.8626	6.119	16	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	4:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-4:N[6]-3:N-3:	N(C[6]C[6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]HW)(N[6]C[6]H)(NCC)	N(C[6]C[6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]HW)(N[6]C[6]H)(NCC){1|C<4>,3|H<1>}	121.6805	1.010	2	121.6805	1.021	2	121.6805	1.021	2	119.8626	6.119	16	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	4:3:3:	C[6]-3:P-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:N-3:	N(C[6]C[6]2)(PCrCC)(CH3)	C(NC[6]P)(H)3	C[6](C[6]C[6]CrH)(C[6]C[6]H)(NCP)	N(C[6]C[6]2)(PCrCC)(CH3)	C(NC[6]P)(H)3	C[6](C[6]C[6]CrH)(C[6]C[6]H)(NCP){1|C<3>,1|H<1>,1|N<3>}	118.3305	0.653	2	118.3305	0.426	2	118.1985	0.177	4	119.8626	6.119	16	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	4:3:3:	C[6]-3:P-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:N-3:	N(C[6]C[6]2)(PMoCC)(CH3)	C(NC[6]P)(H)3	C[6](C[6]C[6]MoH)(C[6]C[6]H)(NCP)	N(C[6]C[6]2)(PMoCC)(CH3)	C(NC[6]P)(H)3	C[6](C[6]C[6]MoH)(C[6]C[6]H)(NCP){1|C<3>,1|H<1>,1|N<3>}	118.0665	0.190	2	118.0665	0.036	2	118.1985	0.177	4	119.8626	6.119	16	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	4:4:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:N-3:	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HW)(NCC)	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HW)(NCC){1|C<3>,2|H<1>}	122.6185	0.578	2	122.8472	0.663	6	122.8472	0.663	6	122.8472	0.663	6	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	4:4:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:N-3:	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HW)(NCC)	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HW)(NCC){1|Cl<1>,1|C<4>,2|H<1>}	123.5045	1.029	2	122.8472	0.663	6	122.8472	0.663	6	122.8472	0.663	6	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	4:4:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:N-3:	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HW)(NCC)	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6]HH)(C[6]C[6]HW)(NCC){1|H<1>,3|C<4>}	122.4185	0.766	2	122.8472	0.663	6	122.8472	0.663	6	122.8472	0.663	6	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:3:1:1:	2:2:3:	C[6]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	N[6]-2:N[6]-2:N-3:	N(C[6]N[6]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6](N[6]C[6])2(NCC)	N(C[6]N[6]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6](N[6]C[6])2(NCC){3|N<3>}	121.6695	0.729	2	121.6695	0.531	2	121.6695	0.531	2	121.6695	0.531	2	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:3:1:1:	3:2:3:	C[6]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	C[6]-3:O[6]-2:N-3:	N(C[6]C[6]O[6])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6]S)(H)2	C[6](C[6]C[5,6]C[6a])(O[6]C[6])(NCS)	N(C[6]C[6]O[6])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6]S)(H)2	C[6](C[6]C[5,6]C[6a])(O[6]C[6])(NCS){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	120.1685	0.438	2	120.1685	0.192	2	119.0917	3.575	3	118.9070	2.519	4	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:3:1:1:	3:2:3:	C[6]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	C[6]-3:O[6]-2:N-3:	N(C[6]C[6]O[6])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6]S)(H)2	C[6](C[6]C[6,6]C[6a])(O[6]C[6])(NCS)	N(C[6]C[6]O[6])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6]S)(H)2	C[6](C[6]C[6,6]C[6a])(O[6]C[6])(NCS){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	116.9380	0.000	1	116.9380	0.000	1	119.0917	3.575	3	118.9070	2.519	4	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:3:1:1:	3:2:3:	C[6]-3:S-4:C-4:	N-3:C-3:H-1:H-1:	C[6]-3:O[6]-2:N-3:	N(C[6]C[6]O[6])(SC[6a]OO)(CCHH)	C(NC[6]S)(CCH)(H)2	C[6](C[6]C[6,6a]C)(O[6]C[6])(NCS)	N(C[6]C[6]O[6])(SC[6a]OO)(CCHH)	C(NC[6]S)(CCH)(H)2	C[6](C[6]C[6,6a]C)(O[6]C[6])(NCS){2|C<3>,2|H<1>}	118.3530	0.000	1	118.3530	0.000	1	118.3530	0.000	1	118.9070	2.519	4	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:3:1:1:	3:3:3:	C[6]-3:C-4:C-4:	C[6]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]N[6])(NC[6]C)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NCC)	N(C[6]C[6]2)(CC[6a]HH)(CC[6]HH)	C(C[6]C[6]N[6])(NC[6]C)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NCC){1|C<3>,1|H<1>,1|O<1>}	123.5335	1.061	2	123.5335	1.127	2	123.5335	1.127	2	120.7809	5.019	11	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:3:1:1:	3:3:3:	C[6]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[5a,6]-3:C[6]-3:N-3:	N(C[6]C[5a,6]C[6])(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(NCC)	N(C[6]C[5a,6]C[6])(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(NCC){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	122.3790	0.000	1	122.3790	0.000	1	122.3790	0.000	1	120.7809	5.019	11	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:3:1:1:	3:3:3:	C[6]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CC[6a]HH)(CC[6]HH)	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NCC)	N(C[6]C[6]2)(CC[6a]HH)(CC[6]HH)	C(C[6a]C[6a]N[6a])(NC[6]C)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NCC){1|C<3>,1|H<1>,1|O<1>}	117.7780	0.109	2	117.7780	0.012	2	117.7780	0.012	2	120.7809	5.019	11	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:3:1:1:	3:3:3:	C[6]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC)	N(C[6]C[6]N[6])(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.8060	0.000	1	121.1325	0.907	2	121.4573	1.400	4	120.7809	5.019	11	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:3:1:1:	3:3:3:	C[6]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC)	N(C[6]C[6]N[6])(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC){1|N<3>,4|H<1>}	120.4590	0.000	1	121.1325	0.907	2	121.4573	1.400	4	120.7809	5.019	11	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:3:1:1:	3:3:3:	C[6]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6](C[6]C[6]C)(N[6]N[6]H)(NCC)	N(C[6]C[6]N[6])(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6](C[6]C[6]C)(N[6]N[6]H)(NCC){1|C<3>,1|H<1>}	120.5840	0.000	1	120.5840	0.000	1	121.4573	1.400	4	120.7809	5.019	11	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:3:1:1:	3:3:3:	C[6]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC)	N(C[6]C[6]N[6])(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC){1|H<1>,1|N<3>,2|C<3>}	122.9800	0.000	1	122.9800	0.000	1	121.4573	1.400	4	120.7809	5.019	11	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:3:1:1:	3:3:3:	C[6]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	C[6,6a]-3:C[6]-3:N-3:	N(C[6]C[6,6a]C[6])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6]S)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCS)	N(C[6]C[6,6a]C[6])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6]S)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCS){1|O<2>,2|H<1>,3|C<3>}	118.8795	0.231	2	118.8795	0.053	2	118.8795	0.053	2	120.7809	5.019	11	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:3:1:1:	4:4:3:	C[6]-3:C-4:B-4:	C[6a]-3:N-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	N(C[6]C[6]2)(CC[6a]HH)(BF3)	C(C[6a]C[6a]2)(NC[6]B)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NBC)	N(C[6]C[6]2)(CC[6a]HH)(BF3)	C(C[6a]C[6a]2)(NC[6]B)(H)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(NBC){2|C<4>,3|H<1>}	120.1850	0.000	1	120.1850	0.000	1	120.1850	0.000	1	120.1850	0.000	1	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:4:1:1:	2:2:3:	C[6]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[6]-2:N[6]-2:N-3:	N(C[6]N[6]2)(CCHH)2	C(NC[6]C)(CH3)(H)2	C[6](N[6]C[6])(N[6]P[6])(NCC)	N(C[6]N[6]2)(CCHH)2	C(NC[6]C)(CH3)(H)2	C[6](N[6]C[6])(N[6]P[6])(NCC){1|N<2>,3|N<3>}	121.1705	1.551	2	121.1705	2.405	2	121.0042	0.522	17	120.9884	1.060	21	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:4:1:1:	2:2:3:	C[6]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[6]-2:N[6]-2:N-3:	N(C[6]N[6]2)(CCHH)2	C(NC[6]C)(CH3)(H)2	C[6](N[6]C[6])2(NCC)	N(C[6]N[6]2)(CCHH)2	C(NC[6]C)(CH3)(H)2	C[6](N[6]C[6])2(NCC){3|N<3>}	120.9820	0.648	15	120.9820	0.420	15	121.0042	0.522	17	120.9884	1.060	21	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:4:1:1:	2:2:3:	C[6]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[6]-2:S[6]-2:N-3:	N(C[6]N[6]S[6])(CCHH)2	C(NC[6]C)(CH3)(H)2	C[6](N[6]C[6,6a])(S[6]C[6])(NCC)	N(C[6]N[6]S[6])(CCHH)2	C(NC[6]C)(CH3)(H)2	C[6](N[6]C[6,6a])(S[6]C[6])(NCC){1|N<2>,2|C<3>}	120.9665	3.085	2	120.9665	9.518	2	120.9665	9.518	2	120.9884	1.060	21	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:4:1:1:	2:2:3:	C[6]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	O[6]-2:N[6]-2:N-3:	N(C[6]N[6]O[6])(CCHH)2	C(NC[6]C)(CH3)(H)2	C[6](O[6]C[5a,6])(N[6]S[6])(NCC)	N(C[6]N[6]O[6])(CCHH)2	C(NC[6]C)(CH3)(H)2	C[6](O[6]C[5a,6])(N[6]S[6])(NCC){1|C<3>,1|N<3>,2|O<1>}	120.8760	1.820	2	120.8760	3.313	2	120.8760	3.313	2	120.9884	1.060	21	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:4:1:1:	3:2:3:	C[6]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6]-3:C[6]-2:N-3:	N(C[6]C[6]2)(CCHH)2	C(NC[6]C)(CH3)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6])(NCC)	N(C[6]C[6]2)(CCHH)2	C(NC[6]C)(CH3)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6])(NCC){1|C<3>,1|H<1>,1|O<2>}	121.8225	2.329	2	121.8225	5.422	2	121.4490	2.298	4	121.7612	2.374	6	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:4:1:1:	3:2:3:	C[6]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6]-3:C[6]-2:N-3:	N(C[6]C[6]2)(CCHH)2	C(NC[6]C)(CH3)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(NCC)	N(C[6]C[6]2)(CCHH)2	C(NC[6]C)(CH3)(H)2	C[6](C[6]C[6]H)(C[6]C[6])(NCC){1|C<3>,1|H<1>}	121.0755	0.957	2	121.0755	0.915	2	121.4490	2.298	4	121.7612	2.374	6	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:4:1:1:	3:2:3:	C[6]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[6]-3:S[6]-2:N-3:	N(C[6]N[6]S[6])(CCHH)2	C(NC[6]C)(CH3)(H)2	C[6](N[6]C[6a]Ge[6])(S[6]Ga[6])(NCC)	N(C[6]N[6]S[6])(CCHH)2	C(NC[6]C)(CH3)(H)2	C[6](N[6]C[6a]Ge[6])(S[6]Ga[6])(NCC){1|C<2>,1|N<3>,2|C<4>,3|C<3>}	122.3855	1.951	2	122.3855	3.806	2	122.3855	3.806	2	121.7612	2.374	6	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:4:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[5a,6]-3:C[5a,6]-3:N-3:	N(C[6]C[5a,6]2)(CCHH)2	C(NC[6]C)(CHHP)(H)2	C[6](C[5a,6]N[5a,6]C[5a])2(NCC)	N(C[6]C[5a,6]2)(CCHH)2	C(NC[6]C)(CHHP)(H)2	C[6](C[5a,6]N[5a,6]C[5a])2(NCC){1|B<4>,2|H<1>,4|C<3>}	123.5895	0.177	2	123.5895	0.032	2	123.5895	0.032	2	121.2190	3.937	37	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:4:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:N-3:	N(C[6]C[6,6a]C[6])(CCHH)2	C(NC[6]C)(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCC)	N(C[6]C[6,6a]C[6])(CCHH)2	C(NC[6]C)(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NCC){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	120.0036	1.793	8	120.0036	3.214	8	120.1456	3.485	10	121.2190	3.937	37	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:4:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6,6a]-3:C[6]-3:N-3:	N(C[6]C[6,6a]C[6])(CCHH)2	C(NC[6]C)(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(NCC)	N(C[6]C[6,6a]C[6])(CCHH)2	C(NC[6]C)(CH3)(H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(NCC){1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	120.7135	2.840	2	120.7135	8.068	2	120.1456	3.485	10	121.2190	3.937	37	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:4:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)(CH3)	C(NC[6]C)(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NCC)	N(C[6]C[6]2)(CCHH)(CH3)	C(NC[6]C)(CHHN)(H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NCC){1|C<3>,1|C<4>,1|O<1>}	126.6630	0.000	1	126.6630	0.000	1	121.3340	3.967	21	121.2190	3.937	37	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:4:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)2	C(NC[6]C)(CCHH)(H)2	C[6](C[6]C[6]H)2(NCC)	N(C[6]C[6]2)(CCHH)2	C(NC[6]C)(CCHH)(H)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	121.6175	0.467	2	121.6175	0.218	2	121.3340	3.967	21	121.2190	3.937	37	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:4:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)2	C(NC[6]C)(CH3)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]H)(NCC)	N(C[6]C[6]2)(CCHH)2	C(NC[6]C)(CH3)(H)2	C[6](C[6]C[6,6]H)(C[6]C[6]H)(NCC){1|C<3>,1|O<2>}	119.8430	0.434	2	119.8430	0.188	2	121.3340	3.967	21	121.2190	3.937	37	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:4:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)2	C(NC[6]C)(CH3)(H)2	C[6](C[6]C[6]H)2(NCC)	N(C[6]C[6]2)(CCHH)2	C(NC[6]C)(CH3)(H)2	C[6](C[6]C[6]H)2(NCC){1|C<2>,2|H<1>}	121.9025	0.315	2	121.8564	0.521	10	121.3340	3.967	21	121.2190	3.937	37	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:4:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)2	C(NC[6]C)(CH3)(H)2	C[6](C[6]C[6]H)2(NCC)	N(C[6]C[6]2)(CCHH)2	C(NC[6]C)(CH3)(H)2	C[6](C[6]C[6]H)2(NCC){1|C<3>,1|H<1>,1|O<1>}	121.8449	0.809	8	121.8564	0.521	10	121.3340	3.967	21	121.2190	3.937	37	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:4:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)2	C(NC[6]C)(CHHO)(H)2	C[6](C[6]C[6]H)2(NCC)	N(C[6]C[6]2)(CCHH)2	C(NC[6]C)(CHHO)(H)2	C[6](C[6]C[6]H)2(NCC){1|C<2>,2|H<1>}	117.1560	0.868	2	119.9777	5.496	6	121.3340	3.967	21	121.2190	3.937	37	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:4:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CCHH)2	C(NC[6]C)(CHHO)(H)2	C[6](C[6]C[6]H)2(NCC)	N(C[6]C[6]2)(CCHH)2	C(NC[6]C)(CHHO)(H)2	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|C<3>}	121.3885	0.973	4	119.9777	5.496	6	121.3340	3.967	21	121.2190	3.937	37	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:4:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(CC[6a]HH)(CCHH)	C(NC[6]C)(CH3)(H)2	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC)	N(C[6]C[6]N[6])(CC[6a]HH)(CCHH)	C(NC[6]C)(CH3)(H)2	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.1700	0.000	1	121.6910	0.543	2	121.6910	0.543	2	121.2190	3.937	37	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:4:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(CC[6a]HH)(CCHH)	C(NC[6]C)(CH3)(H)2	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC)	N(C[6]C[6]N[6])(CC[6a]HH)(CCHH)	C(NC[6]C)(CH3)(H)2	C[6](C[6]C[6]N)(N[6]C[6]C)(NCC){1|N<3>,4|H<1>}	122.2120	0.000	1	121.6910	0.543	2	121.6910	0.543	2	121.2190	3.937	37	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:4:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CCHH)2	C(NC[6]C)(CHHO)(H)2	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(NCC)	N(C[6]C[6]N[6])(CCHH)2	C(NC[6]C)(CHHO)(H)2	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(NCC){1|H<1>,2|C<3>}	122.5355	1.869	2	122.5355	3.493	2	122.5355	3.493	2	121.2190	3.937	37	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	3:4:4:1:	3:3:3:	C[6]-3:C-4:B-4:	N-3:C-4:C-4:H-1:	N[6]-3:N[6]-3:N-3:	N(C[6]N[6]2)(CCCH)(BH3)	C(NC[6]B)(CH3)2(H)	C[6](N[6]B[6]C)(N[6]C[6]C)(NBC)	N(C[6]N[6]2)(CCCH)(BH3)	C(NC[6]B)(CH3)2(H)	C[6](N[6]B[6]C)(N[6]C[6]C)(NBC){1|N<3>,3|H<1>}	117.8160	0.000	1	117.8160	0.000	1	117.8160	0.000	1	117.8160	0.000	1	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	P-4:N-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6]C[6]2H)(CHHP)	C(PC[6a]2Cu)(NC[6]2)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]C)	N(C[6]C[6]N[6])(C[6]C[6]2H)(CHHP)	C(PC[6a]2Cu)(NC[6]2)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	118.4810	0.000	1	118.4810	0.000	1	118.4810	0.000	1	119.1770	0.969	2	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:4:4:	4:3:1:1:	3:3:3:	C[6]-3:P-4:C-4:	P-4:N-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(PC[6a]2Pt)(CHHP)	C(PC[6a]2O)(NC[6]P)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NCP)	N(C[6]C[6]N[6])(PC[6a]2Pt)(CHHP)	C(PC[6a]2O)(NC[6]P)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NCP){1|C<3>,2|H<1>}	119.8730	0.000	1	119.8730	0.000	1	119.8730	0.000	1	119.1770	0.969	2	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP2_SP2_SP3	N	C	C[6]	3:5:4:	3:1:1:1:	3:3:3:	C[6]-3:Si-5:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(SiRuCCH)(CH3)	C(NC[6]Si)(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NSiC)	N(C[6]C[6]N[6])(SiRuCCH)(CH3)	C(NC[6]Si)(H)3	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NSiC){1|C<3>,2|H<1>}	117.9420	0.143	2	117.9420	0.020	2	117.9420	0.020	2	117.9420	0.020	2	121.6697	7.835	1512	121.6690	7.848	1514
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])2(CH3)	C(NC[6]2)(H)3	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NC[6]C)	N(C[6]C[6]N[6])2(CH3)	C(NC[6]2)(H)3	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NC[6]C){1|C<3>,1|H<1>,1|N<3>}	116.2078	0.573	6	116.4600	0.300	12	116.3533	0.328	22	116.5365	0.822	28	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])2(CH3)	C(NC[6]2)(H)3	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NC[6]C)	N(C[6]C[6]N[6])2(CH3)	C(NC[6]2)(H)3	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	116.7122	0.422	6	116.4600	0.300	12	116.3533	0.328	22	116.5365	0.822	28	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])2(CH3)	C(NC[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]C)	N(C[6]C[6]N[6])2(CH3)	C(NC[6]2)(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]C){1|C<3>,1|H<1>,1|N<3>}	116.2918	0.432	4	116.2918	0.187	4	116.3533	0.328	22	116.5365	0.822	28	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])2(CH3)	C(NC[6]2)(H)3	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[6]C)	N(C[6]C[6]N[6])2(CH3)	C(NC[6]2)(H)3	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	116.2750	0.000	1	116.2750	0.000	1	116.3533	0.328	22	116.5365	0.822	28	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])2(CH3)	C(NC[6]2)(H)3	C[6](N[6]C[6]Ir)(C[6]N[6]H)(NC[6]C)	N(C[6]C[6]N[6])2(CH3)	C(NC[6]2)(H)3	C[6](N[6]C[6]Ir)(C[6]N[6]H)(NC[6]C){1|Pt<4>,1|C<3>,1|H<1>}	115.7490	0.000	1	115.7490	0.000	1	116.3533	0.328	22	116.5365	0.822	28	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])2(CH3)	C(NC[6]2)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]C)	N(C[6]C[6]N[6])2(CH3)	C(NC[6]2)(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]C){1|C<3>,1|H<1>,1|N<3>}	115.5395	0.501	2	115.5395	0.251	2	116.3533	0.328	22	116.5365	0.822	28	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])2(CH3)	C(NC[6]2)(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6]C)	N(C[6]C[6]N[6])2(CH3)	C(NC[6]2)(H)3	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	117.2410	0.000	1	117.2410	0.000	1	116.3533	0.328	22	116.5365	0.822	28	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])2(CH3)	C(NC[6]2)(H)3	C[6](N[6]C[6]Pt)(C[6]N[6]H)(NC[6]C)	N(C[6]C[6]N[6])2(CH3)	C(NC[6]2)(H)3	C[6](N[6]C[6]Pt)(C[6]N[6]H)(NC[6]C){1|Ir<6>,1|C<3>,1|H<1>}	116.7420	0.000	1	116.7420	0.000	1	116.3533	0.328	22	116.5365	0.822	28	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]C)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[6])(H)3	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	116.2600	0.000	1	116.2600	0.000	1	116.6252	0.417	5	116.5365	0.822	28	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[6])(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6a]C)	N(C[6]C[6]N[6])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[6])(H)3	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	116.7165	0.707	4	116.7165	0.500	4	116.6252	0.417	5	116.5365	0.822	28	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:3:4:	3:1:1:1:	3:3:3:	C[6]-3:N-3:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(NCoC)(CH3)	C(NC[6]N)(H)3	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(NCN)	N(C[6]C[6]N[6])(NCoC)(CH3)	C(NC[6]N)(H)3	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(NCN){1|H<1>,2|C<3>}	120.1230	0.000	1	120.1230	0.000	1	120.1230	0.000	1	116.5365	0.822	28	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:3:4:	3:3:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6a]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])2(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6]2)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6]C)	N(C[6]C[6]N[6])2(CC[6a]HH)	C(C[6a]C[6a]2)(NC[6]2)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	118.0113	0.438	4	118.0113	0.192	4	118.0113	0.192	4	118.0113	0.192	4	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:3:4:	3:4:1:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	N-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])2(CCHH)	C(NC[6]2)(CCHH)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(NC[6]C)	N(C[6]C[6]N[6])2(CCHH)	C(NC[6]2)(CCHH)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	117.7225	0.323	2	117.7225	0.104	2	117.7225	0.104	2	117.7225	0.104	2	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:4:1:	3:1:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCH)	N(C[6]C[6]N[6])(CH3)(H)	C(NC[6]H)(H)3	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCH){1|H<1>,2|C<3>}	123.4440	0.000	1	123.4440	0.000	1	123.4440	0.000	1	123.4440	0.000	1	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	3:2:3:	C[6]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[5a,6]-3:N[6]-2:N-3:	N(C[6]N[5a,6]N[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[5,6])(NCH)	N(C[6]N[5a,6]N[6])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[6]H)(H)2	C[6](N[5a,6]C[5a,6]N[5a])(N[6]C[5,6])(NCH){1|C<4>,1|N<2>,3|C<3>}	119.9920	0.000	1	119.9920	0.000	1	119.9920	0.000	1	119.9920	0.000	1	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(CC[6]HH)(H)	C(C[6]C[6]2)(NC[6]H)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	N(C[6]C[6]N[6])(CC[6]HH)(H)	C(C[6]C[6]2)(NC[6]H)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	123.5390	0.000	1	123.5390	0.000	1	124.5150	1.905	2	124.5150	1.905	2	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:4:1:	3:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	C[6]-3:N-3:H-1:H-1:	C[6]-3:N[6]-3:N-3:	N(C[6]C[6]N[6])(CC[6]HH)(H)	C(C[6]C[6]N[6])(NC[6]H)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	N(C[6]C[6]N[6])(CC[6]HH)(H)	C(C[6]C[6]N[6])(NC[6]H)(H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	125.4910	0.000	1	125.4910	0.000	1	124.5150	1.905	2	124.5150	1.905	2	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:4:1:	3:3:4:1:	4:3:3:	C[6]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[6]-4:C[6]-3:N-3:	N(C[6]C[6]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6]H)(CHHO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	N(C[6]C[6]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[6]H)(CHHO)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|N<3>,1|O<1>,2|H<1>}	121.8800	0.000	1	121.8800	0.000	1	121.8800	0.000	1	121.8800	0.000	1	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CCHH)(H)	C(NC[6]H)(CC3)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH)	N(C[6]C[6]N[6])(CCHH)(H)	C(NC[6]H)(CC3)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	124.7040	0.000	1	124.7040	0.000	1	124.2704	1.266	5	124.2704	1.266	5	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:4:1:	3:4:1:1:	3:3:3:	C[6]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CCHH)(H)	C(NC[6]H)(CHHN)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NCH)	N(C[6]C[6]N[6])(CCHH)(H)	C(NC[6]H)(CHHN)(H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	124.1620	1.269	4	124.1620	1.609	4	124.2704	1.266	5	124.2704	1.266	5	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:4:1:	3:4:4:4:	3:2:3:	C[6]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	N[5a,6]-3:N[6]-2:N-3:	N(C[6]N[5a,6]N[6])(CC3)(H)	C(NC[6]H)(CH3)3	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a])(NCH)	N(C[6]N[5a,6]N[6])(CC3)(H)	C(NC[6]H)(CH3)3	C[6](N[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a])(NCH){1|N<2>,4|C<3>}	126.0840	0.000	1	126.0840	0.000	1	126.0840	0.000	1	126.0840	0.000	1	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:4:1:	4:3:1:1:	3:3:3:	C[6]-3:C-4:H-1:	P-4:N-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CHHP)(H)	C(PC[6a]2Ru)(NC[6]H)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NCH)	N(C[6]C[6]N[6])(CHHP)(H)	C(PC[6a]2Ru)(NC[6]H)(H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	120.1910	0.000	1	120.1910	0.000	1	120.1910	0.000	1	120.1910	0.000	1	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:4:2:	3:4:4:4:	3:3:3:	C[6]-3:C-4:O-2:	N-3:C-4:C-4:C-4:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CC3)(OAl)	C(NC[6]O)(CH3)3	C[6](N[6]C[6]Al)(C[6]C[6]H)(NCO)	N(C[6]C[6]N[6])(CC3)(OAl)	C(NC[6]O)(CH3)3	C[6](N[6]C[6]Al)(C[6]C[6]H)(NCO){1|C<3>,2|H<1>}	125.4465	2.473	6	125.4465	6.116	6	125.4465	6.116	6	125.4465	6.116	6	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:4:3:	3:1:1:1:	3:2:3:	C[6]-3:C-4:N-3:	N-3:H-1:H-1:H-1:	C[6]-3:N[6]-2:N-3:	N(C[6]C[6]N[6])(CH3)(NOO)	C(NC[6]N)(H)3	C[6](C[6]N[6]N)(N[6]C[6])(NCN)	N(C[6]C[6]N[6])(CH3)(NOO)	C(NC[6]N)(H)3	C[6](C[6]N[6]N)(N[6]C[6])(NCN){1|C<3>,1|N<3>,1|O<1>}	117.4570	0.000	1	117.4570	0.000	1	117.4570	0.000	1	117.4570	0.000	1	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:2:3:	C[6]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-3:O[6]-2:N-3:	N(C[6]C[6]O[6])(SC[6a]OO)(CH3)	C(NC[6]S)(H)3	C[6](C[6]C[6a]C[6])(O[6]C[6])(NCS)	N(C[6]C[6]O[6])(SC[6a]OO)(CH3)	C(NC[6]S)(H)3	C[6](C[6]C[6a]C[6])(O[6]C[6])(NCS){1|C<4>,2|C<3>,4|H<1>}	114.4310	0.000	1	114.4310	0.000	1	114.4310	0.000	1	114.4310	0.000	1	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5a,6]-3:C[6]-3:N-3:	N(C[6]C[5a,6]C[6])(CC[6a]HH)(CH3)	C(NC[6]C)(H)3	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(NCC)	N(C[6]C[5a,6]C[6])(CC[6a]HH)(CH3)	C(NC[6]C)(H)3	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(NCC){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	119.8830	0.000	1	119.8830	0.000	1	119.8830	0.000	1	117.5223	7.906	17	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCC)	N(C[6]C[6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	117.3260	3.381	4	117.3260	11.429	4	117.3748	8.038	16	117.5223	7.906	17	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCC)	N(C[6]C[6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCC){1|H<1>,2|C<3>}	117.4725	0.402	4	117.4725	0.161	4	117.3748	8.038	16	117.5223	7.906	17	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC)	N(C[6]C[6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC){1|H<1>,2|C<3>,3|N<3>}	120.6825	1.500	2	119.3605	3.294	4	117.3748	8.038	16	117.5223	7.906	17	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC)	N(C[6]C[6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC){1|P<3>,2|C<3>,2|N<3>}	118.0385	0.801	2	119.3605	3.294	4	117.3748	8.038	16	117.5223	7.906	17	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](N[6]Ge[6]Ge)(C[6]C[6]H)(NCC)	N(C[6]C[6]N[6])(CH3)2	C(NC[6]C)(H)3	C[6](N[6]Ge[6]Ge)(C[6]C[6]H)(NCC){2|Cl<1>,2|N<3>}	112.0650	0.686	2	112.0650	0.470	2	117.3748	8.038	16	117.5223	7.906	17	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CHHP)(CH3)	C(NC[6]C)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCC)	N(C[6]C[6]N[6])(CHHP)(CH3)	C(NC[6]C)(H)3	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCC){1|C<3>,2|H<1>}	118.6150	0.400	2	118.6150	0.160	2	117.3748	8.038	16	117.5223	7.906	17	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:4:4:	3:1:1:1:	4:3:3:	C[6]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-4:C[6]-3:N-3:	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6a]C[6]Rh)(C[6]C[6]H)(NCC)	N(C[6]C[6]2)(CH3)2	C(NC[6]C)(H)3	C[6](C[6]C[6a]C[6]Rh)(C[6]C[6]H)(NCC){2|H<1>,3|C<3>}	118.0155	0.607	2	118.0155	0.369	2	118.0155	0.369	2	118.0155	0.369	2	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:4:4:	3:3:1:1:	2:3:3:	C[6]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	O[6]-2:C[6]-3:N-3:	N(C[6]C[6]O[6])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6]S)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]H)(NCS)	N(C[6]C[6]O[6])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6]S)(H)2	C[6](O[6]C[6,6a])(C[6]C[6]H)(NCS){1|H<1>,3|C<3>}	115.6920	0.000	1	115.6920	0.000	1	115.6920	0.000	1	115.6920	0.000	1	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:4:4:	3:3:1:1:	3:2:3:	C[6]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	C[6]-3:O[6]-2:N-3:	N(C[6]C[6]O[6])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6]S)(H)2	C[6](C[6]C[6,6]C[6a])(O[6]C[6])(NCS)	N(C[6]C[6]O[6])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[6]S)(H)2	C[6](C[6]C[6,6]C[6a])(O[6]C[6])(NCS){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	115.6920	0.000	1	115.6920	0.000	1	115.6920	0.000	1	115.6920	0.000	1	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:4:4:	3:3:1:1:	3:3:3:	C[6]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[5a,6]-3:C[6]-3:N-3:	N(C[6]C[5a,6]C[6])(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(NCC)	N(C[6]C[5a,6]C[6])(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(NCC){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	118.3890	0.000	1	118.3890	0.000	1	118.3890	0.000	1	118.0885	4.873	4	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:4:4:	3:3:1:1:	3:3:3:	C[6]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6](C[6]C[6]H)(C[6]O[6]O)(NCC)	N(C[6]C[6]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6](C[6]C[6]H)(C[6]O[6]O)(NCC){1|C<3>,1|C<4>,1|H<1>}	115.3020	0.000	1	115.3020	0.000	1	115.3020	0.000	1	118.0885	4.873	4	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:4:4:	3:3:1:1:	3:3:3:	C[6]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CC[6a]HH)(CHHP)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NCC)	N(C[6]C[6]N[6])(CC[6a]HH)(CHHP)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NCC){1|C<3>,2|H<1>}	120.6870	0.000	1	120.6870	0.000	1	119.3315	3.675	2	118.0885	4.873	4	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:4:4:	3:3:1:1:	3:3:3:	C[6]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CC[6a]HH)(CHHP)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCC)	N(C[6]C[6]N[6])(CC[6a]HH)(CHHP)	C(C[6a]C[6a]2)(NC[6]C)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCC){1|C<3>,2|H<1>}	117.9760	0.000	1	117.9760	0.000	1	119.3315	3.675	2	118.0885	4.873	4	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:4:4:	3:4:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N(C[6]C[6]2)(CC[6a]HH)(CCHH)	C(NC[6]C)(CH3)(H)2	C[6](C[6]C[6]H)(C[6]O[6]O)(NCC)	N(C[6]C[6]2)(CC[6a]HH)(CCHH)	C(NC[6]C)(CH3)(H)2	C[6](C[6]C[6]H)(C[6]O[6]O)(NCC){1|C<3>,1|C<4>,1|H<1>}	115.8400	0.000	1	115.8400	0.000	1	115.8400	0.000	1	115.6055	0.110	2	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:4:4:	3:4:1:1:	3:3:3:	C[6]-3:C-4:C-4:	N-3:P-4:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CHHP)(CH3)	C(NC[6]C)(PPdCC)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCC)	N(C[6]C[6]N[6])(CHHP)(CH3)	C(NC[6]C)(PPdCC)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCC){1|C<3>,2|H<1>}	115.3710	0.000	1	115.3710	0.000	1	115.3710	0.000	1	115.6055	0.110	2	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:4:4:	4:3:1:1:	3:3:3:	C[6]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CC[6a]HH)(CHHP)	C(PC[6a]2Pt)(NC[6]C)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NCC)	N(C[6]C[6]N[6])(CC[6a]HH)(CHHP)	C(PC[6a]2Pt)(NC[6]C)(H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NCC){1|C<3>,2|H<1>}	116.8100	0.000	1	116.8100	0.000	1	115.6323	2.112	3	116.4532	2.411	5	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:4:4:	4:3:1:1:	3:3:3:	C[6]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CC[6a]HH)(CHHP)	C(PC[6a]2Re)(NC[6]C)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCC)	N(C[6]C[6]N[6])(CC[6a]HH)(CHHP)	C(PC[6a]2Re)(NC[6]C)(H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCC){1|C<3>,2|H<1>}	114.0080	0.000	1	114.0080	0.000	1	115.6323	2.112	3	116.4532	2.411	5	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:4:4:	4:3:1:1:	3:3:3:	C[6]-3:C-4:C-4:	P-4:N-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(CHHP)(CH3)	C(PC[6]2Pd)(NC[6]C)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCC)	N(C[6]C[6]N[6])(CHHP)(CH3)	C(PC[6]2Pd)(NC[6]C)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCC){1|C<3>,2|H<1>}	116.0790	0.000	1	116.0790	0.000	1	115.6323	2.112	3	116.4532	2.411	5	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:4:4:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	P-4:N-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6]C[6]2H)(CHHP)	C(PC[6a]2Cu)(NC[6]2)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]C)	N(C[6]C[6]N[6])(C[6]C[6]2H)(CHHP)	C(PC[6a]2Cu)(NC[6]2)(H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	118.1120	0.000	1	118.1120	0.000	1	117.6845	0.366	2	116.4532	2.411	5	118.4672	12.200	86	118.4672	12.200	86
956	490	762	0:SP3_SP2_SP3	N	C	C[6]	3:4:4:	4:3:1:1:	3:3:3:	C[6]-3:C[6]-4:C-4:	P-4:N-3:H-1:H-1:	N[6]-3:C[6]-3:N-3:	N(C[6]C[6]N[6])(C[6]C[6]2H)(CHHP)	C(PC[6a]2Pd)(NC[6]2)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6]C)	N(C[6]C[6]N[6])(C[6]C[6]2H)(CHHP)	C(PC[6a]2Pd)(NC[6]2)(H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	117.2570	0.000	1	117.2570	0.000	1	117.6845	0.366	2	116.4532	2.411	5	118.4672	12.200	86	118.4672	12.200	86
956	490	769	0:SP2_SP2_SP3	N	C	C[4a]	3:3:4:	3:1:1:1:	3:3:3:	C[4a]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[4a]-3:C[4a]-3:N-3:	N(C[4a]C[4a]2)(C[6a]C[6a]2)(CH3)	C(NC[4a]C[6a])(H)3	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NC[6a]C)	N(C[4a]C[4a]2)(C[6a]C[6a]2)(CH3)	C(NC[4a]C[6a])(H)3	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NC[6a]C){1|O<1>}	119.5267	1.510	6	119.5267	2.279	6	119.5267	2.279	6	119.5267	2.279	6	121.8272	2.565	60	121.8272	2.565	60
956	490	769	0:SP2_SP2_SP3	N	C	C[4a]	3:4:1:	3:1:1:1:	3:3:3:	C[4a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[4a]-3:C[4a]-3:N-3:	N(C[4a]C[4a]2)(CH3)(H)	C(NC[4a]H)(H)3	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NCH)	N(C[4a]C[4a]2)(CH3)(H)	C(NC[4a]H)(H)3	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NCH){1|O<1>}	122.1975	0.040	2	122.1975	0.002	2	122.1975	0.002	2	122.1975	0.002	2	121.8272	2.565	60	121.8272	2.565	60
956	490	769	0:SP2_SP2_SP3	N	C	C[4a]	3:4:1:	3:3:1:1:	3:3:3:	C[4a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[4a]-3:C[4a]-3:N-3:	N(C[4a]C[4a]2)(CC[6a]HH)(H)	C(C[6a]C[6a,6a]2)(NC[4a]H)(H)2	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NCH)	N(C[4a]C[4a]2)(CC[6a]HH)(H)	C(C[6a]C[6a,6a]2)(NC[4a]H)(H)2	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NCH){1|O<1>}	122.6195	0.554	4	122.6195	0.306	4	122.8017	1.462	15	122.8017	1.462	15	121.8272	2.565	60	121.8272	2.565	60
956	490	769	0:SP2_SP2_SP3	N	C	C[4a]	3:4:1:	3:3:1:1:	3:3:3:	C[4a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[4a]-3:C[4a]-3:N-3:	N(C[4a]C[4a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[4a]H)(H)2	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NCH)	N(C[4a]C[4a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[4a]H)(H)2	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NCH){1|O<1>}	122.7068	1.251	9	122.7068	1.565	9	122.8017	1.462	15	122.8017	1.462	15	121.8272	2.565	60	121.8272	2.565	60
956	490	769	0:SP2_SP2_SP3	N	C	C[4a]	3:4:1:	3:3:1:1:	3:3:3:	C[4a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[4a]-3:C[4a]-3:N-3:	N(C[4a]C[4a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[4a]H)(H)2	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NCH)	N(C[4a]C[4a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]N[6a])(NC[4a]H)(H)2	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NCH){1|O<1>}	123.5930	2.357	2	123.5930	5.558	2	122.8017	1.462	15	122.8017	1.462	15	121.8272	2.565	60	121.8272	2.565	60
956	490	769	0:SP2_SP2_SP3	N	C	C[4a]	3:4:1:	3:4:1:1:	3:3:3:	C[4a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[4a]-3:C[4a]-3:N-3:	N(C[4a]C[4a]2)(CCHH)(H)	C(NC[4a]H)(CCHH)(H)2	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NCH)	N(C[4a]C[4a]2)(CCHH)(H)	C(NC[4a]H)(CCHH)(H)2	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NCH){1|O<1>}	123.7972	1.474	4	123.7972	2.174	4	122.8604	2.070	9	122.8604	2.070	9	121.8272	2.565	60	121.8272	2.565	60
956	490	769	0:SP2_SP2_SP3	N	C	C[4a]	3:4:1:	3:4:1:1:	3:3:3:	C[4a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[4a]-3:C[4a]-3:N-3:	N(C[4a]C[4a]2)(CCHH)(H)	C(NC[4a]H)(CHHN)(H)2	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NCH)	N(C[4a]C[4a]2)(CCHH)(H)	C(NC[4a]H)(CHHN)(H)2	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NCH){1|O<1>}	121.5460	0.810	3	121.5460	0.655	3	122.8604	2.070	9	122.8604	2.070	9	121.8272	2.565	60	121.8272	2.565	60
956	490	769	0:SP2_SP2_SP3	N	C	C[4a]	3:4:1:	3:4:1:1:	3:3:3:	C[4a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[4a]-3:C[4a]-3:N-3:	N(C[4a]C[4a]2)(CCHH)(H)	C(NC[4a]H)(CHHN)(H)2	C[4a](C[4a]C[4a]O)2(NCH)	N(C[4a]C[4a]2)(CCHH)(H)	C(NC[4a]H)(CHHN)(H)2	C[4a](C[4a]C[4a]O)2(NCH){1|O<1>}	122.9585	0.134	2	122.9585	0.018	2	122.8604	2.070	9	122.8604	2.070	9	121.8272	2.565	60	121.8272	2.565	60
956	490	769	0:SP2_SP2_SP3	N	C	C[4a]	3:4:1:	3:4:3:1:	3:3:3:	C[4a]-3:C-4:H-1:	C[6a]-3:C-4:N-3:H-1:	C[4a]-3:C[4a]-3:N-3:	N(C[4a]C[4a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NC[4a]H)(H)	C[4a](C[4a]C[4a]O)2(NCH)	N(C[4a]C[4a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(NC[4a]H)(H)	C[4a](C[4a]C[4a]O)2(NCH){1|O<1>}	122.5770	2.400	2	122.5770	5.760	2	122.5770	5.760	2	123.2807	3.595	4	121.8272	2.565	60	121.8272	2.565	60
956	490	769	0:SP2_SP2_SP3	N	C	C[4a]	3:4:1:	3:4:3:1:	3:3:3:	C[4a]-3:C-4:H-1:	N-3:C-4:C-3:H-1:	C[4a]-3:C[4a]-3:N-3:	N(C[4a]C[4a]2)(CCCH)(H)	C(NC[4a]H)(CCHH)(CNO)(H)	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NCH)	N(C[4a]C[4a]2)(CCCH)(H)	C(NC[4a]H)(CCHH)(CNO)(H)	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NCH){1|O<1>}	125.2180	0.000	1	125.2180	0.000	1	123.9845	3.043	2	123.2807	3.595	4	121.8272	2.565	60	121.8272	2.565	60
956	490	769	0:SP2_SP2_SP3	N	C	C[4a]	3:4:1:	3:4:3:1:	3:3:3:	C[4a]-3:C-4:H-1:	N-3:C-4:C-3:H-1:	C[4a]-3:C[4a]-3:N-3:	N(C[4a]C[4a]2)(CCCH)(H)	C(NC[4a]H)(CCHH)(CNO)(H)	C[4a](C[4a]C[4a]O)2(NCH)	N(C[4a]C[4a]2)(CCCH)(H)	C(NC[4a]H)(CCHH)(CNO)(H)	C[4a](C[4a]C[4a]O)2(NCH){1|O<1>}	122.7510	0.000	1	122.7510	0.000	1	123.9845	3.043	2	123.2807	3.595	4	121.8272	2.565	60	121.8272	2.565	60
956	490	769	0:SP2_SP2_SP3	N	C	C[4a]	3:4:1:	4:3:1:1:	3:3:3:	C[4a]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[4a]-3:C[4a]-3:N-3:	N(C[4a]C[4a]2)(CCHH)(H)	C(CC[6a]HH)(NC[4a]H)(H)2	C[4a](C[4a]C[4a]O)2(NCH)	N(C[4a]C[4a]2)(CCHH)(H)	C(CC[6a]HH)(NC[4a]H)(H)2	C[4a](C[4a]C[4a]O)2(NCH){1|O<1>}	122.1050	0.000	1	122.1050	0.000	1	122.1050	0.000	1	122.1050	0.000	1	121.8272	2.565	60	121.8272	2.565	60
956	490	769	0:SP2_SP2_SP3	N	C	C[4a]	3:4:4:	3:1:1:1:	3:3:3:	C[4a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[4a]-3:C[4a]-3:N-3:	N(C[4a]C[4a]2)(CCHH)(CH3)	C(NC[4a]C)(H)3	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NCC)	N(C[4a]C[4a]2)(CCHH)(CH3)	C(NC[4a]C)(H)3	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NCC){1|O<1>}	120.7530	0.000	1	120.7530	0.000	1	121.4140	0.320	13	121.4140	0.320	13	121.8272	2.565	60	121.8272	2.565	60
956	490	769	0:SP2_SP2_SP3	N	C	C[4a]	3:4:4:	3:1:1:1:	3:3:3:	C[4a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[4a]-3:C[4a]-3:N-3:	N(C[4a]C[4a]2)(CH3)2	C(NC[4a]C)(H)3	C[4a](C[4a]C[4a]O)2(NCC)	N(C[4a]C[4a]2)(CH3)2	C(NC[4a]C)(H)3	C[4a](C[4a]C[4a]O)2(NCC){1|N<3>}	121.4691	0.553	12	121.4691	0.306	12	121.4140	0.320	13	121.4140	0.320	13	121.8272	2.565	60	121.8272	2.565	60
956	490	769	0:SP2_SP2_SP3	N	C	C[4a]	3:4:4:	3:3:1:1:	3:3:3:	C[4a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[4a]-3:C[4a]-3:N-3:	N(C[4a]C[4a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[4a]C)(H)2	C[4a](C[4a]C[4a]O)2(NCC)	N(C[4a]C[4a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[4a]C)(H)2	C[4a](C[4a]C[4a]O)2(NCC){1|C<3>}	120.1945	1.006	2	120.1945	1.012	2	120.6304	1.127	8	120.6304	1.127	8	121.8272	2.565	60	121.8272	2.565	60
956	490	769	0:SP2_SP2_SP3	N	C	C[4a]	3:4:4:	3:3:1:1:	3:3:3:	C[4a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[4a]-3:C[4a]-3:N-3:	N(C[4a]C[4a]2)(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(NC[4a]C)(H)2	C[4a](C[4a]C[4a]O)2(NCC)	N(C[4a]C[4a]2)(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(NC[4a]C)(H)2	C[4a](C[4a]C[4a]O)2(NCC){1|N<3>}	120.4005	0.677	4	120.7757	1.274	6	120.6304	1.127	8	120.6304	1.127	8	121.8272	2.565	60	121.8272	2.565	60
956	490	769	0:SP2_SP2_SP3	N	C	C[4a]	3:4:4:	3:3:1:1:	3:3:3:	C[4a]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[4a]-3:C[4a]-3:N-3:	N(C[4a]C[4a]2)(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(NC[4a]C)(H)2	C[4a](C[4a]C[4a]O)2(NCC)	N(C[4a]C[4a]2)(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(NC[4a]C)(H)2	C[4a](C[4a]C[4a]O)2(NCC){1|O<1>}	121.5260	1.819	2	120.7757	1.274	6	120.6304	1.127	8	120.6304	1.127	8	121.8272	2.565	60	121.8272	2.565	60
956	490	769	0:SP2_SP2_SP3	N	C	C[4a]	3:4:4:	3:4:1:1:	3:3:3:	C[4a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[4a]-3:C[4a]-3:N-3:	N(C[4a]C[4a]2)(CCHH)(CH3)	C(NC[4a]C)(CHHN)(H)2	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NCC)	N(C[4a]C[4a]2)(CCHH)(CH3)	C(NC[4a]C)(CHHN)(H)2	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NCC){1|O<1>}	121.2070	0.000	1	121.2070	0.000	1	121.2070	0.000	1	121.2070	0.000	1	121.8272	2.565	60	121.8272	2.565	60
956	490	769	0:SP2_SP2_SP3	N	C	C[4a]	4:3:1:	4:3:3:1:	3:3:3:	C-4:C[4a]-3:H-1:	C[6,6]-4:C[6a]-3:N-3:H-1:	C[4a]-3:C[4a]-3:N-3:	N(CC[6,6]C[6a]H)(C[4a]C[4a]2)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NC[4a]H)(H)	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NCH)	N(CC[6,6]C[6a]H)(C[4a]C[4a]2)(H)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(NC[4a]H)(H)	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NCH){1|O<1>}	120.4460	0.000	1	120.4460	0.000	1	120.4460	0.000	1	120.4460	0.000	1	121.8272	2.565	60	121.8272	2.565	60
956	490	769	0:SP3_SP2_SP3	N	C	C[4a]	3:4:1:	3:3:1:1:	3:3:3:	C[4a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[4a]-3:C[4a]-3:N-3:	N(C[4a]C[4a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[4a]H)(H)2	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NCH)	N(C[4a]C[4a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[4a]H)(H)2	C[4a](C[4a]C[4a]N)(C[4a]C[4a]O)(NCH){1|O<1>}	121.2620	0.000	1	121.2620	0.000	1	121.2620	0.000	1	121.2620	0.000	1	122.0135	1.130	2	122.0135	1.130	2
956	490	769	0:SP3_SP2_SP3	N	C	C[4a]	3:4:2:	3:4:4:1:	3:3:3:	C[4a]-3:C-4:O-2:	N-3:C-4:C-4:H-1:	C[4a]-3:C[4a]-3:N-3:	N(C[4a]C[4a]2)(CCCH)(OH)	C(NC[4a]O)(CH3)2(H)	C[4a](C[4a]C[4a]O)2(NCO)	N(C[4a]C[4a]2)(CCCH)(OH)	C(NC[4a]O)(CH3)2(H)	C[4a](C[4a]C[4a]O)2(NCO){1|O<1>}	122.7650	0.000	1	122.7650	0.000	1	122.7650	0.000	1	122.7650	0.000	1	122.0135	1.130	2	122.0135	1.130	2
956	490	770	0:SP2_SP2_SP3	N	C	B	3:3:4:	3:4:4:4:	3:3:3:	B-3:C[6a]-3:C-4:	N-3:C-4:C-4:C-4:	C[5a]-3:C[6a]-3:N-3:	N(BC[5a]C[6a])(C[6a]C[6a]2)(CC3)	C(NC[6a]B)(CH3)3	B(C[5a]N[5a]2)(C[6a]C[6a]2)(NC[6a]C)	N(BC[5a]C[6a])(C[6a]C[6a]2)(CC3)	C(NC[6a]B)(CH3)3	B(C[5a]N[5a]2)(C[6a]C[6a]2)(NC[6a]C)	124.9010	0.000	1	124.9010	0.000	1	124.9010	0.000	1	124.9010	0.000	1	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:3:4:	4:4:4:3:	3:3:3:	B-3:B-3:C-4:	C-4:C-4:C-4:N-3:	C[6a]-3:C[6a]-3:N-3:	N(BC[6a]2)(BC[6a]C)(CC3)	C(CH3)3(NBB)	B(C[6a]C[6a]2)2(NBC)	N(BC[6a]2)(BC[6a]C)(CC3)	C(CH3)3(NBB)	B(C[6a]C[6a]2)2(NBC)	112.6840	0.000	1	112.6840	0.000	1	112.6840	0.000	1	112.6840	0.000	1	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:3:4:	4:4:4:3:	3:4:3:	B-3:B-3:C-4:	C-4:C-4:C-4:N-3:	C[6a]-3:C-4:N-3:	N(BC[6a]2)(BC[6a]C)(CC3)	C(CH3)3(NBB)	B(C[6a]C[6a]2)(CC3)(NBC)	N(BC[6a]2)(BC[6a]C)(CC3)	C(CH3)3(NBB)	B(C[6a]C[6a]2)(CC3)(NBC)	125.8130	0.000	1	125.8130	0.000	1	125.8130	0.000	1	125.8130	0.000	1	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:4:1:	4:4:3:1:	4:3:3:	B-3:C-4:H-1:	C-4:C-4:N-3:H-1:	C[5]-4:N-3:N-3:	N(BC[5]N)(CCCH)(H)	C(CH3)2(NBH)(H)	B(C[5]C[5,6a]C[5]H)(NCC)(NCH)	N(BC[5]N)(CCCH)(H)	C(CH3)2(NBH)(H)	B(C[5]C[5,6a]C[5]H)(NCC)(NCH)	130.2420	0.000	1	130.2420	0.000	1	130.2420	0.000	1	130.2420	0.000	1	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:4:1:	4:4:4:3:	3:4:3:	B-3:C-4:H-1:	C-4:C-4:C-4:N-3:	C[6a]-3:C-4:N-3:	N(BC[6a]C)(CC3)(H)	C(CH3)3(NBH)	B(C[6a]C[6a]2)(CRhCC)(NCH)	N(BC[6a]C)(CC3)(H)	C(CH3)3(NBH)	B(C[6a]C[6a]2)(CRhCC)(NCH)	135.1577	1.761	3	135.1577	3.100	3	135.1577	3.100	3	135.1577	3.100	3	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:4:1:	4:4:4:3:	4:3:3:	B-3:C-4:H-1:	C-4:C-4:C-4:N-3:	C[5]-4:N-3:N-3:	N(BC[5]N)(CC3)(H)	C(CH3)3(NBH)	B(C[5]C[5,6a]2H)(NCC)(NCH)	N(BC[5]N)(CC3)(H)	C(CH3)3(NBH)	B(C[5]C[5,6a]2H)(NCC)(NCH)	133.8270	0.000	1	133.8270	0.000	1	132.7420	0.739	9	132.7420	0.739	9	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:4:1:	4:4:4:3:	4:3:3:	B-3:C-4:H-1:	C-4:C-4:C-4:N-3:	C[5]-4:N-3:N-3:	N(BC[5]N)(CC3)(H)	C(CH3)3(NBH)	B(C[5]C[5]2Fe)(NCH)2	N(BC[5]N)(CC3)(H)	C(CH3)3(NBH)	B(C[5]C[5]2Fe)(NCH)2	132.6064	0.810	8	132.6064	0.656	8	132.7420	0.739	9	132.7420	0.739	9	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:4:4:	3:1:1:1:	3:3:1:	B-3:C-4:C-4:	N-3:H-1:H-1:H-1:	B-3:N-3:Br-1:	N(BBrB)(CH3)2	C(NBC)(H)3	B(BC[5]N)(NCC)(Br)	N(BBrB)(CH3)2	C(NBC)(H)3	B(BC[5]N)(NCC)(Br)	124.2365	3.196	4	124.2365	10.215	4	124.2365	10.215	4	124.2365	10.215	4	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:4:4:	3:1:1:1:	3:3:3:	B-3:C-4:C-4:	N-3:H-1:H-1:H-1:	B[4]-3:N-3:N-3:	N(BB[4]N)(CH3)2	C(NBC)(H)3	B(B[4]C[4,5]N[4])(NCC)2	N(BB[4]N)(CH3)2	C(NBC)(H)3	B(B[4]C[4,5]N[4])(NCC)2	124.5420	2.716	4	124.5420	7.377	4	124.5420	7.377	4	124.1182	2.714	59	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:4:4:	3:1:1:1:	3:3:3:	B-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[3a]-3:N-3:N-3:	N(BC[3a]N)(CH3)2	C(NBC)(H)3	B(C[3a]B[3a]C[3a])(NCC)2	N(BC[3a]N)(CH3)2	C(NBC)(H)3	B(C[3a]B[3a]C[3a])(NCC)2	123.8949	1.716	24	123.8949	2.944	24	123.8949	2.944	24	124.1182	2.714	59	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:4:4:	3:1:1:1:	3:3:3:	B-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5]-3:B-3:N-3:	N(BC[5]B)(CH3)2	C(NBC)(H)3	B(C[5]N[5]2)(BBrN)(NCC)	N(BC[5]B)(CH3)2	C(NBC)(H)3	B(C[5]N[5]2)(BBrN)(NCC)	124.5445	2.215	4	124.5445	4.906	4	124.5445	4.906	4	124.1182	2.714	59	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:4:4:	3:1:1:1:	3:3:3:	B-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:B-3:N-3:	N(BC[6a]B)(CH3)2	C(NBC)(H)3	B(C[6a]C[6a]2)(BC[6a]N)(NCC)	N(BC[6a]B)(CH3)2	C(NBC)(H)3	B(C[6a]C[6a]2)(BC[6a]N)(NCC)	124.7138	0.521	4	124.7138	0.271	4	124.7138	0.271	4	124.1182	2.714	59	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:4:4:	3:1:1:1:	3:3:3:	B-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:N-3:N-3:	N(BC[6a]N)(CH3)2	C(NBC)(H)3	B(C[6a]C[6a]2)(NCC)2	N(BC[6a]N)(CH3)2	C(NBC)(H)3	B(C[6a]C[6a]2)(NCC)2	124.3348	0.975	22	124.3348	0.952	22	124.3348	0.952	22	124.1182	2.714	59	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:4:4:	3:1:1:1:	3:3:3:	B-3:C-4:P-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(BC[6a]2)(CH3)(PC3)	C(NBP)(H)3	B(C[6a]C[6a]2)2(NCP)	N(BC[6a]2)(CH3)(PC3)	C(NBP)(H)3	B(C[6a]C[6a]2)2(NCP)	118.9270	0.000	1	118.9270	0.000	1	118.9270	0.000	1	124.1182	2.714	59	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:4:4:	3:1:1:1:	4:3:3:	B-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5]-4:B-3:N-3:	N(BC[5]B)(CH3)2	C(NBC)(H)3	B(C[5]C[5]2Hf)(BC[5]N)(NCC)	N(BC[5]B)(CH3)2	C(NBC)(H)3	B(C[5]C[5]2Hf)(BC[5]N)(NCC)	123.9832	1.768	4	123.9832	3.124	4	123.9903	2.204	6	124.2686	0.957	46	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:4:4:	3:1:1:1:	4:3:3:	B-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5]-4:B-3:N-3:	N(BC[5]B)(CH3)2	C(NBC)(H)3	B(C[5]C[5]2V)(BCN)(NCC)	N(BC[5]B)(CH3)2	C(NBC)(H)3	B(C[5]C[5]2V)(BCN)(NCC)	124.0045	1.283	2	124.0045	1.647	2	123.9903	2.204	6	124.2686	0.957	46	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:4:4:	3:1:1:1:	4:3:3:	B-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5]-4:C-3:N-3:	N(BC[5]C)(CH3)2	C(NBC)(H)3	B(C[5]C[5]2Fe)(CBN)(NCC)	N(BC[5]C)(CH3)2	C(NBC)(H)3	B(C[5]C[5]2Fe)(CBN)(NCC)	124.1762	0.662	4	124.1762	0.438	4	124.2505	0.450	24	124.2686	0.957	46	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:4:4:	3:1:1:1:	4:3:3:	B-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5]-4:C-3:N-3:	N(BC[5]C)(CH3)2	C(NBC)(H)3	B(C[5]C[5]2Fe)(CCC)(NCC)	N(BC[5]C)(CH3)2	C(NBC)(H)3	B(C[5]C[5]2Fe)(CCC)(NCC)	124.2411	0.773	8	124.2411	0.598	8	124.2505	0.450	24	124.2686	0.957	46	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:4:4:	3:1:1:1:	4:3:3:	B-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5]-4:C-3:N-3:	N(BC[5]C)(CH3)2	C(NBC)(H)3	B(C[5]C[5]2Fe)(CC[6a]C)(NCC)	N(BC[5]C)(CH3)2	C(NBC)(H)3	B(C[5]C[5]2Fe)(CC[6a]C)(NCC)	124.2215	0.728	8	124.2215	0.529	8	124.2505	0.450	24	124.2686	0.957	46	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:4:4:	3:1:1:1:	4:3:3:	B-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5]-4:C-3:N-3:	N(BC[5]C)(CH3)2	C(NBC)(H)3	B(C[5]C[5]2Fe)(CSiC)(NCC)	N(BC[5]C)(CH3)2	C(NBC)(H)3	B(C[5]C[5]2Fe)(CSiC)(NCC)	124.4015	0.584	4	124.4015	0.341	4	124.2505	0.450	24	124.2686	0.957	46	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:4:4:	3:1:1:1:	4:3:3:	B-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5]-4:N-3:N-3:	N(BC[5]N)(CH3)2	C(NBC)(H)3	B(C[5]C[5]2Mn)(NCC)2	N(BC[5]N)(CH3)2	C(NBC)(H)3	B(C[5]C[5]2Mn)(NCC)2	124.2943	0.831	8	124.2943	0.690	8	124.2943	0.690	8	124.2686	0.957	46	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:4:4:	3:1:1:1:	4:3:3:	B-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-4:C-3:N-3:	N(BC[6]C)(CH3)2	C(NBC)(H)3	B(C[6]C[6]2V)(CCC)(NCC)	N(BC[6]C)(CH3)2	C(NBC)(H)3	B(C[6]C[6]2V)(CCC)(NCC)	124.3983	1.996	4	124.3983	3.983	4	124.3983	3.983	4	124.2686	0.957	46	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:4:4:	3:1:1:1:	4:3:3:	B-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[6]-4:N-3:N-3:	N(BC[6]N)(CH3)2	C(NBC)(H)3	B(C[6]C[6]2Cr)(NC[6a]N)(NCC)	N(BC[6]N)(CH3)2	C(NBC)(H)3	B(C[6]C[6]2Cr)(NC[6a]N)(NCC)	124.6140	1.137	4	124.6140	1.293	4	124.6140	1.293	4	124.2686	0.957	46	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:4:4:	3:1:1:1:	4:4:3:	B-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:N-3:	N(BC[5]2)(CH3)2	C(NBC)(H)3	B(C[5]C[5]2Mn)2(NCC)	N(BC[5]2)(CH3)2	C(NBC)(H)3	B(C[5]C[5]2Mn)2(NCC)	124.9155	0.104	2	124.9155	0.011	2	124.9155	0.011	2	124.9155	0.011	2	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:4:4:	4:3:1:1:	3:3:1:	B-3:C-4:C-4:	C-4:N-3:H-1:H-1:	C[5]-3:N-3:Br-1:	N(BC[5]Br)(CCHH)2	C(CH3)(NBC)(H)2	B(C[5]C[5]N[5])(NCC)(Br)	N(BC[5]Br)(CCHH)2	C(CH3)(NBC)(H)2	B(C[5]C[5]N[5])(NCC)(Br)	122.8520	0.280	2	122.8520	0.078	2	122.8520	0.078	2	122.8520	0.078	2	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:4:4:	4:4:3:1:	3:3:1:	B-3:C-4:C-4:	C-4:C-4:N-3:H-1:	C[5]-3:N-3:Cl-1:	N(BC[5]Cl)(CCCH)2	C(CH3)2(NBC)(H)	B(C[5]N[5]2)(NCC)(Cl)	N(BC[5]Cl)(CCCH)2	C(CH3)2(NBC)(H)	B(C[5]N[5]2)(NCC)(Cl)	123.5590	1.506	2	123.5590	2.268	2	123.5590	2.268	2	122.9164	7.223	14	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:4:4:	4:4:3:1:	3:3:1:	B-3:C-4:C-4:	C-4:C-4:N-3:H-1:	C[6]-3:N-3:Cl-1:	N(BC[6]Cl)(CCCH)2	C(CH3)2(NBC)(H)	B(C[6]N[6]2)(NCC)(Cl)	N(BC[6]Cl)(CCCH)2	C(CH3)2(NBC)(H)	B(C[6]N[6]2)(NCC)(Cl)	123.2978	2.583	4	123.2978	6.674	4	123.2978	6.674	4	122.9164	7.223	14	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:4:4:	4:4:3:1:	3:3:1:	B-3:C-4:C-4:	C-4:C-4:N-3:H-1:	C[6a]-3:N-3:Cl-1:	N(BC[6a]Cl)(CCCH)2	C(CH3)2(NBC)(H)	B(C[6a]C[6a,6a]C[6a])(NCC)(Cl)	N(BC[6a]Cl)(CCCH)2	C(CH3)2(NBC)(H)	B(C[6a]C[6a,6a]C[6a])(NCC)(Cl)	122.5265	5.905	2	122.5265	34.870	2	122.7460	22.029	4	122.9164	7.223	14	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:4:4:	4:4:3:1:	3:3:1:	B-3:C-4:C-4:	C-4:C-4:N-3:H-1:	C[6a]-3:N-3:Cl-1:	N(BC[6a]Cl)(CCCH)2	C(CH3)2(NBC)(H)	B(C[6a]C[6a]2)(NCC)(Cl)	N(BC[6a]Cl)(CCCH)2	C(CH3)2(NBC)(H)	B(C[6a]C[6a]2)(NCC)(Cl)	122.9655	5.570	2	122.9655	31.024	2	122.7460	22.029	4	122.9164	7.223	14	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:4:4:	4:4:3:1:	3:3:1:	B-3:C-4:C-4:	C-4:C-4:N-3:H-1:	C[6a]-3:N-3:H-1:	N(BC[6a]H)(CCCH)2	C(CH3)2(NBC)(H)	B(C[6a]C[6a]2)(NCC)(H)	N(BC[6a]H)(CCCH)2	C(CH3)2(NBC)(H)	B(C[6a]C[6a]2)(NCC)(H)	122.3843	0.977	4	122.3843	0.955	4	122.3843	0.955	4	122.9164	7.223	14	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:4:4:	4:4:3:1:	3:3:3:	B-3:C-4:C-4:	C-4:C-4:N-3:H-1:	C[5a]-3:C[5a]-3:N-3:	N(BC[5a]2)(CCCH)2	C(CH3)2(NBC)(H)	B(C[5a]N[5a]2)2(NCC)	N(BC[5a]2)(CCCH)2	C(CH3)2(NBC)(H)	B(C[5a]N[5a]2)2(NCC)	123.5770	6.032	2	123.5770	36.380	2	123.5770	36.380	2	123.5770	36.380	2	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:4:4:	4:4:3:1:	4:3:1:	B-3:C-4:C-4:	C-4:C-4:N-3:H-1:	C[5]-4:N-3:Cl-1:	N(BC[5]Cl)(CCCH)2	C(CH3)2(NBC)(H)	B(C[5]C[5]2Cr)(NCC)(Cl)	N(BC[5]Cl)(CCCH)2	C(CH3)2(NBC)(H)	B(C[5]C[5]2Cr)(NCC)(Cl)	123.1683	3.572	4	123.1683	12.763	4	123.1683	12.763	4	123.1683	12.763	4	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:4:4:	4:4:3:1:	4:3:3:	B-3:C-4:C-4:	C-4:C-4:N-3:H-1:	C[5]-4:N-3:N-3:	N(BC[5]N)(CCCH)2	C(CH3)2(NBC)(H)	B(C[5]C[5,6a]2H)(NCC)(NCH)	N(BC[5]N)(CCCH)2	C(CH3)2(NBC)(H)	B(C[5]C[5,6a]2H)(NCC)(NCH)	123.1660	1.626	2	123.1660	2.645	2	123.2573	1.271	6	123.2573	1.271	6	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:4:4:	4:4:3:1:	4:3:3:	B-3:C-4:C-4:	C-4:C-4:N-3:H-1:	C[5]-4:N-3:N-3:	N(BC[5]N)(CCCH)2	C(CH3)2(NBC)(H)	B(C[5]C[5,6a]C[5]H)(NCC)(NCH)	N(BC[5]N)(CCCH)2	C(CH3)2(NBC)(H)	B(C[5]C[5,6a]C[5]H)(NCC)(NCH)	123.1420	1.879	2	123.1420	3.532	2	123.2573	1.271	6	123.2573	1.271	6	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:4:4:	4:4:3:1:	4:3:3:	B-3:C-4:C-4:	C-4:C-4:N-3:H-1:	C[5]-4:N-3:N-3:	N(BC[5]N)(CCCH)2	C(CH3)2(NBC)(H)	B(C[5]C[5]2Fe)(NC[5]Si)(NCC)	N(BC[5]N)(CCCH)2	C(CH3)2(NBC)(H)	B(C[5]C[5]2Fe)(NC[5]Si)(NCC)	123.4640	0.223	2	123.4640	0.050	2	123.2573	1.271	6	123.2573	1.271	6	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	3:4:4:	4:4:3:1:	5:4:3:	B-3:C-4:C-4:	C-4:C-4:N-3:H-1:	C[3x3,4,3x5,14x6]-5:C[5]-4:N-3:	N(BC[3x3,4,3x5,14x6]C[5])(CCCH)2	C(CH3)2(NBC)(H)	B(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5,6]C[5]Yb)(NCC)	N(BC[3x3,4,3x5,14x6]C[5])(CCCH)2	C(CH3)2(NBC)(H)	B(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[5]C[5,6]C[5]Yb)(NCC)	123.8967	1.172	8	123.8967	1.375	8	123.8967	1.375	8	123.8967	1.375	8	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:3:1:	4:4:4:3:	3:3:1:	C-4:B-3:H-1:	C-4:C-4:C-4:N-3:	N-3:N-3:H-1:	N(CC3)(BHN)(H)	C(CH3)3(NBH)	B(NC[6a]2)(NCH)(H)	N(CC3)(BHN)(H)	C(CH3)3(NBH)	B(NC[6a]2)(NCH)(H)	130.5180	0.000	2	130.5180	0.000	2	130.5180	0.000	2	130.5180	0.000	2	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:3:4:	3:1:1:1:	3:1:1:	Si-4:B-3:C-4:	N-3:H-1:H-1:H-1:	N-3:Cl-1:Cl-1:	N(SiCl3)(BCl2)(CH3)	C(NSiB)(H)3	B(NSiC)(Cl)2	N(SiCl3)(BCl2)(CH3)	C(NSiB)(H)3	B(NSiC)(Cl)2	118.0580	0.000	1	118.0580	0.000	1	118.0580	0.000	1	118.0580	0.000	1	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:3:4:	3:1:1:1:	3:3:3:	C-4:B-3:C-4:	N-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[6a]CH)(BC[6a]2)(CH3)	C(NBC)(H)3	B(C[6a]C[6a]2)2(NCC)	N(CC[6a]CH)(BC[6a]2)(CH3)	C(NBC)(H)3	B(C[6a]C[6a]2)2(NCC)	121.3330	0.000	1	121.3330	0.000	1	121.3330	0.000	1	121.3330	0.000	1	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:3:4:	3:3:1:1:	3:3:3:	C-4:B-3:C-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[6a]HH)(BC[6a]2)(CCCH)	C(C[6a]C[6a]2)(NBC)(H)2	B(C[6a]C[6a]2)2(NCC)	N(CC[6a]HH)(BC[6a]2)(CCCH)	C(C[6a]C[6a]2)(NBC)(H)2	B(C[6a]C[6a]2)2(NCC)	119.6470	0.000	1	119.6470	0.000	1	119.6470	0.000	1	119.6470	0.000	1	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:3:4:	3:4:1:1:	4:3:4:	C[5]-4:B-3:C-4:	N-3:C-4:H-1:H-1:	C[5]-4:N-3:C-4:	N(C[5]C[5]2Fe)(BC[5]C)(CCHH)	C(NC[5]B)(CC3)(H)2	B(C[5]C[5]2Fe)(NC[5]C)(CSi3)	N(C[5]C[5]2Fe)(BC[5]C)(CCHH)	C(NC[5]B)(CC3)(H)2	B(C[5]C[5]2Fe)(NC[5]C)(CSi3)	126.7770	0.000	1	126.7770	0.000	1	126.7770	0.000	1	126.7770	0.000	1	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:3:4:	3:4:3:1:	3:3:3:	C-4:B-3:C-4:	C[6a]-3:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[6a]CH)(BC[6a]2)(CH3)	C(C[6a]C[6a]2)(CC3)(NBC)(H)	B(C[6a]C[6a]2)2(NCC)	N(CC[6a]CH)(BC[6a]2)(CH3)	C(C[6a]C[6a]2)(CC3)(NBC)(H)	B(C[6a]C[6a]2)2(NCC)	119.8230	0.000	1	119.8230	0.000	1	119.8230	0.000	1	119.8230	0.000	1	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:3:4:	4:4:3:1:	3:3:3:	C-4:B-3:C-4:	C-4:C-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:	N(CC[6a]HH)(BC[6a]2)(CCCH)	C(CH3)2(NBC)(H)	B(C[6a]C[6a]2)2(NCC)	N(CC[6a]HH)(BC[6a]2)(CCCH)	C(CH3)2(NBC)(H)	B(C[6a]C[6a]2)2(NCC)	124.0140	0.000	1	124.0140	0.000	1	124.0140	0.000	1	124.0140	0.000	1	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:4:3:	3:1:1:1:	3:2:2:	C-4:C-4:B-3:	N-3:H-1:H-1:H-1:	N-3:C-2:O-2:	N(CH3)2(BCO)	C(NBC)(H)3	B(NCC)(CC)(OB)	N(CH3)2(BCO)	C(NBC)(H)3	B(NCC)(CC)(OB)	123.4900	0.771	6	123.4900	0.594	6	123.4900	0.594	6	123.4900	0.594	6	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:4:3:	3:1:1:1:	3:3:2:	C-4:C-4:B-3:	N-3:H-1:H-1:H-1:	B-3:N-3:C-2:	N(CH3)2(BBC)	C(NBC)(H)3	B(BCN)(NCC)(CC)	N(CH3)2(BBC)	C(NBC)(H)3	B(BCN)(NCC)(CC)	124.0412	1.223	6	124.0412	1.495	6	124.0412	1.495	6	123.9580	1.459	21	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:4:3:	3:1:1:1:	3:3:2:	C-4:C-4:B-3:	N-3:H-1:H-1:H-1:	N-3:N-3:C-2:	N(CH3)2(BCN)	C(NBC)(H)3	B(NCC)2(CC)	N(CH3)2(BCN)	C(NBC)(H)3	B(NCC)2(CC)	123.9247	1.244	15	123.9247	1.547	15	123.9247	1.547	15	123.9580	1.459	21	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:4:3:	3:1:1:1:	3:3:3:	C-4:C-4:B-3:	N-3:H-1:H-1:H-1:	B-3:N-3:N-3:	N(CH3)2(BBN)	C(NBC)(H)3	B(BC[5]N[6])(NCC)2	N(CH3)2(BBN)	C(NBC)(H)3	B(BC[5]N[6])(NCC)2	123.9098	1.853	4	123.9098	3.435	4	123.9755	3.512	36	123.9839	3.198	40	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:4:3:	3:1:1:1:	3:3:3:	C-4:C-4:B-3:	N-3:H-1:H-1:H-1:	B-3:N-3:N-3:	N(CH3)2(BBN)	C(NBC)(H)3	B(BC[5]Se)(NCC)2	N(CH3)2(BBN)	C(NBC)(H)3	B(BC[5]Se)(NCC)2	123.8401	1.960	8	123.8401	3.842	8	123.9755	3.512	36	123.9839	3.198	40	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:4:3:	3:1:1:1:	3:3:3:	C-4:C-4:B-3:	N-3:H-1:H-1:H-1:	B-3:N-3:N-3:	N(CH3)2(BBN)	C(NBC)(H)3	B(BC[5]Te)(NCC)2	N(CH3)2(BBN)	C(NBC)(H)3	B(BC[5]Te)(NCC)2	123.9224	1.705	8	123.9224	2.908	8	123.9755	3.512	36	123.9839	3.198	40	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:4:3:	3:1:1:1:	3:3:3:	C-4:C-4:B-3:	N-3:H-1:H-1:H-1:	B-3:N-3:N-3:	N(CH3)2(BBN)	C(NBC)(H)3	B(BNN)(NBH)(NCC)	N(CH3)2(BBN)	C(NBC)(H)3	B(BNN)(NBH)(NCC)	124.0676	1.490	8	124.0676	2.219	8	123.9755	3.512	36	123.9839	3.198	40	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:4:3:	3:1:1:1:	3:3:3:	C-4:C-4:B-3:	N-3:H-1:H-1:H-1:	B-3:N-3:N-3:	N(CH3)2(BBN)	C(NBC)(H)3	B(BNN)(NCC)2	N(CH3)2(BBN)	C(NBC)(H)3	B(BNN)(NCC)2	124.1049	2.658	8	124.1049	7.066	8	123.9755	3.512	36	123.9839	3.198	40	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:4:3:	3:1:1:1:	3:3:3:	C-4:C-4:B-3:	N-3:H-1:H-1:H-1:	N-3:B-3:N-3:	N(CH3)2(BBN)	C(NBC)(H)3	B(NC[6a]H)(BNN)(NCC)	N(CH3)2(BBN)	C(NBC)(H)3	B(NC[6a]H)(BNN)(NCC)	124.0590	0.766	4	124.0590	0.587	4	124.0590	0.587	4	123.9839	3.198	40	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:4:3:	3:1:1:1:	3:4:3:	C-4:C-4:B-3:	N-3:H-1:H-1:H-1:	B-3:C-4:N-3:	N(CH3)2(BBC)	C(NBC)(H)3	B(BC[5]N)(CCCV)(NCC)	N(CH3)2(BBC)	C(NBC)(H)3	B(BC[5]N)(CCCV)(NCC)	124.4355	0.967	2	124.4355	0.934	2	124.4355	0.934	2	124.4355	0.934	2	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:4:3:	3:1:1:1:	4:3:3:	C-4:C-4:B-3:	N-3:H-1:H-1:H-1:	C-4:B-3:N-3:	N(CH3)2(BBC)	C(NBC)(H)3	B(CCo2C)(BCN)(NCC)	N(CH3)2(BBC)	C(NBC)(H)3	B(CCo2C)(BCN)(NCC)	124.3228	1.933	6	124.3228	3.736	6	124.3228	3.736	6	124.3228	3.736	6	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:4:3:	3:3:1:1:	3:4:3:	C[6]-4:C-4:B-3:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:C-4:N-3:	N(C[6]C[6]2H)(CC[6a]HH)(BC[6a]C)	C(C[6a]C[6a]2)(NC[6]B)(H)2	B(C[6a]C[6a]2)(CC[6a]HH)(NC[6]C)	N(C[6]C[6]2H)(CC[6a]HH)(BC[6a]C)	C(C[6a]C[6a]2)(NC[6]B)(H)2	B(C[6a]C[6a]2)(CC[6a]HH)(NC[6]C)	123.6530	0.000	1	123.6530	0.000	1	123.6530	0.000	1	123.6530	0.000	1	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:4:3:	3:4:4:1:	3:4:4:	C[5]-4:C-4:B-3:	N-3:C-4:C-4:H-1:	N-3:C-4:C-4:	N(C[5]C[5]2H)(CCCH)(BCC)	C(NC[5]B)(CH3)2(H)	B(NC[5]C)(CCCH)(CCHN)	N(C[5]C[5]2H)(CCCH)(BCC)	C(NC[5]B)(CH3)2(H)	B(NC[5]C)(CCCH)(CCHN)	122.2365	0.469	2	122.2365	0.220	2	122.2365	0.220	2	122.2365	0.220	2	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:4:3:	4:3:1:1:	3:3:1:	C-4:C-4:B-3:	C-4:N-3:H-1:H-1:	N-3:N-3:Cl-1:	N(CCHH)2(BClN)	C(CH3)(NBC)(H)2	B(NC[6a]C)(NCC)(Cl)	N(CCHH)2(BClN)	C(CH3)(NBC)(H)2	B(NC[6a]C)(NCC)(Cl)	123.0850	0.677	2	123.0850	0.459	2	123.0850	0.459	2	123.0850	0.459	2	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:4:3:	4:4:3:1:	2:3:1:	C-4:C-4:B-3:	C-4:C-4:N-3:H-1:	S-2:N-3:H-1:	N(CCCH)2(BHS)	C(CH3)2(NBC)(H)	B(SC[6a])(NCC)(H)	N(CCCH)2(BHS)	C(CH3)2(NBC)(H)	B(SC[6a])(NCC)(H)	122.1975	1.917	2	122.1975	3.675	2	122.1975	3.675	2	122.1975	3.675	2	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:4:3:	4:4:3:1:	3:2:1:	C-4:C-4:B-3:	C-4:C-4:N-3:H-1:	N-3:N-2:H-1:	N(CCCH)2(BHN)	C(CH3)2(NBC)(H)	B(NCC)(NC)(H)	N(CCCH)2(BHN)	C(CH3)2(NBC)(H)	B(NCC)(NC)(H)	121.3611	1.482	7	121.3611	2.195	7	121.3611	2.195	7	121.3611	2.195	7	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:4:3:	4:4:3:1:	3:2:2:	C-4:C-4:B-3:	C-4:C-4:N-3:H-1:	N-3:C-2:C-2:	N(CCCH)2(BCC)	C(CH3)2(NBC)(H)	B(NCC)(CC)2	N(CCCH)2(BCC)	C(CH3)2(NBC)(H)	B(NCC)(CC)2	122.6093	1.788	4	122.6093	3.196	4	122.6093	3.196	4	122.6093	3.196	4	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:4:3:	4:4:3:1:	3:2:3:	C-4:C-4:B-3:	C-4:C-4:N-3:H-1:	N-3:N-2:N-3:	N(CCCH)2(BNN)	C(CH3)2(NBC)(H)	B(NC[6a]Ge)(NC[6a])(NCC)	N(CCCH)2(BNN)	C(CH3)2(NBC)(H)	B(NC[6a]Ge)(NC[6a])(NCC)	122.5335	4.167	2	122.5335	17.364	2	122.5335	17.364	2	122.5335	17.364	2	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:4:3:	4:4:3:1:	3:3:1:	C-4:C-4:B-3:	C-4:C-4:N-3:H-1:	N-3:P-3:Br-1:	N(CCCH)2(BBrP)	C(CH3)2(NBC)(H)	B(NCC)(PCC)(Br)	N(CCCH)2(BBrP)	C(CH3)2(NBC)(H)	B(NCC)(PCC)(Br)	123.9915	4.953	2	123.9915	24.535	2	123.9915	24.535	2	123.7540	8.306	4	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:4:3:	4:4:3:1:	3:3:1:	C-4:C-4:B-3:	C-4:C-4:N-3:H-1:	P-3:N-3:Br-1:	N(CCCH)2(BBrP)	C(CH3)2(NBC)(H)	B(PC[6]2)(NCC)(Br)	N(CCCH)2(BBrP)	C(CH3)2(NBC)(H)	B(PC[6]2)(NCC)(Br)	123.5165	0.395	2	123.5165	0.156	2	123.5165	0.156	2	123.7540	8.306	4	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:4:3:	4:4:3:1:	3:3:2:	C-4:C-4:B-3:	C-4:C-4:N-3:H-1:	N-3:N-3:O-2:	N(CCCH)2(BNO)	C(CH3)2(NBC)(H)	B(NCC)2(OC)	N(CCCH)2(BNO)	C(CH3)2(NBC)(H)	B(NCC)2(OC)	122.2662	1.902	16	122.2662	3.618	16	122.2662	3.618	16	122.2662	3.618	16	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:4:3:	4:4:3:1:	3:3:3:	C-4:C-4:B-3:	C-4:C-4:N-3:H-1:	N-3:N-3:N-3:	N(CCCH)2(BNN)	C(CH3)2(NBC)(H)	B(NC[6a]Ge)(NC[6a]H)(NCC)	N(CCCH)2(BNN)	C(CH3)2(NBC)(H)	B(NC[6a]Ge)(NC[6a]H)(NCC)	122.5910	3.342	6	122.5910	11.166	6	122.6123	7.053	10	122.1632	8.349	32	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:4:3:	4:4:3:1:	3:3:3:	C-4:C-4:B-3:	C-4:C-4:N-3:H-1:	N-3:N-3:N-3:	N(CCCH)2(BNN)	C(CH3)2(NBC)(H)	B(NC[6a]H)2(NCC)	N(CCCH)2(BNN)	C(CH3)2(NBC)(H)	B(NC[6a]H)2(NCC)	122.6442	1.596	4	122.6442	2.548	4	122.6123	7.053	10	122.1632	8.349	32	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:4:3:	4:4:3:1:	3:3:3:	C-4:C-4:B-3:	C-4:C-4:N-3:H-1:	P-3:N-3:N-3:	N(CCCH)2(BNP)	C(CH3)2(NBC)(H)	B(PC[6a]2)(NCC)2	N(CCCH)2(BNP)	C(CH3)2(NBC)(H)	B(PC[6a]2)(NCC)2	121.2250	3.565	4	121.2250	12.707	4	120.0924	4.637	12	122.1632	8.349	32	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:4:3:	4:4:3:1:	3:3:3:	C-4:C-4:B-3:	C-4:C-4:N-3:H-1:	P-3:N-3:N-3:	N(CCCH)2(BNP)	C(CH3)2(NBC)(H)	B(PC[6a]C)(NCC)2	N(CCCH)2(BNP)	C(CH3)2(NBC)(H)	B(PC[6a]C)(NCC)2	119.5261	0.861	8	119.5261	0.742	8	120.0924	4.637	12	122.1632	8.349	32	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:4:3:	4:4:3:1:	3:3:3:	C-4:C-4:B-3:	C-4:C-4:N-3:H-1:	P-3:N-3:P-3:	N(CCCH)2(BPP)	C(CH3)2(NBC)(H)	B(PC[6a]2)(NCC)(PCC)	N(CCCH)2(BPP)	C(CH3)2(NBC)(H)	B(PC[6a]2)(NCC)(PCC)	124.5602	3.151	4	124.5602	9.930	4	124.5602	9.930	4	122.1632	8.349	32	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:4:3:	4:4:3:1:	3:3:3:	C-4:C-4:B-3:	C-4:C-4:N-3:H-1:	P-3:P-3:N-3:	N(CCCH)2(BPP)	C(CH3)2(NBC)(H)	B(PC[6]2)2(NCC)	N(CCCH)2(BPP)	C(CH3)2(NBC)(H)	B(PC[6]2)2(NCC)	123.9830	3.338	2	123.9830	11.139	2	123.9580	3.750	6	122.1632	8.349	32	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:4:3:	4:4:3:1:	3:3:3:	C-4:C-4:B-3:	C-4:C-4:N-3:H-1:	P-3:P-3:N-3:	N(CCCH)2(BPP)	C(CH3)2(NBC)(H)	B(PC[6a]2)(PC[6]2)(NCC)	N(CCCH)2(BPP)	C(CH3)2(NBC)(H)	B(PC[6a]2)(PC[6]2)(NCC)	123.7905	2.115	2	123.7905	4.473	2	123.9580	3.750	6	122.1632	8.349	32	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:4:3:	4:4:3:1:	3:3:3:	C-4:C-4:B-3:	C-4:C-4:N-3:H-1:	P-3:P-3:N-3:	N(CCCH)2(BPP)	C(CH3)2(NBC)(H)	B(PC[6a]2)2(NCC)	N(CCCH)2(BPP)	C(CH3)2(NBC)(H)	B(PC[6a]2)2(NCC)	124.1005	1.743	2	124.1005	3.038	2	123.9580	3.750	6	122.1632	8.349	32	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:4:3:	4:4:3:1:	4:3:1:	C-4:C-4:B-3:	C-4:C-4:N-3:H-1:	C-4:N-3:Cl-1:	N(CCCH)2(BClC)	C(CH3)2(NBC)(H)	B(CCrCC)(NCC)(Cl)	N(CCCH)2(BClC)	C(CH3)2(NBC)(H)	B(CCrCC)(NCC)(Cl)	123.5140	3.029	4	123.5140	9.175	4	123.5140	9.175	4	123.5140	9.175	4	123.9225	8.392	324	123.9225	8.392	324
956	490	770	0:SP2_SP2_SP3	N	C	B	4:4:3:	4:4:3:1:	4:4:3:	C-4:C-4:B-3:	C-4:C-4:N-3:H-1:	P-4:P-4:N-3:	N(CCCH)2(BPP)	C(CH3)2(NBC)(H)	B(PC[6a]2Pt)2(NCC)	N(CCCH)2(BPP)	C(CH3)2(NBC)(H)	B(PC[6a]2Pt)2(NCC)	123.3700	5.160	2	123.3700	26.630	2	123.3700	26.630	2	123.3700	26.630	2	123.9225	8.392	324	123.9225	8.392	324
956	490	778	0:SP3_SP3_SPD5	N	C	C[3x3,3x5,12x6]	5:4:1:	3:4:4:4:	6:6:6:5:3:	C[3x3,3x5,12x6]-5:C-4:H-1:	N-3:C-4:C-4:C-4:	B[5x3,3x5,11x6]-6:B[5x3,3x5,11x6]-6:B[4x3,3x5,12x6]-6:C[3x3,3x5,12x6]-5:N-3:	N(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CC3)(H)	C(NC[3x3,3x5,12x6]H)(CH3)3	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]C)(NCH)	N(C[3x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(CC3)(H)	C(NC[3x3,3x5,12x6]H)(CH3)3	C[3x3,3x5,12x6](B[5x3,3x5,11x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2B[5x3,5x5,5x6]H)(B[5x3,3x5,11x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]B[5x3,5x5,5x6]H)(B[4x3,3x5,12x6]B[4x3,3x5,12x6]B[5x3,3x5,11x6]2H[3]H)(C[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6]C)(NCH){1|B<6>,5|H<1>}	123.8580	0.000	1	123.8580	0.000	1	123.8580	0.000	1	123.8580	0.000	1	123.8580	0.000	1	122.2344	1.593	5
956	490	778	0:SP3_SP3_SPD5	N	C	C[3x3,4,3x5,14x6]	5:4:1:	3:3:1:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C-4:H-1:	N-3:C[6a]-3:H-1:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:N-3:	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CC[6a]HH)(H)	C(NC[3x3,4,3x5,14x6]H)(C[6a]C[6a]2)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(NCH)	N(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CC[6a]HH)(H)	C(NC[3x3,4,3x5,14x6]H)(C[6a]C[6a]2)(H)2	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(NCH){1|B<6>,1|N<3>,5|H<1>}	121.8285	1.013	4	121.8285	1.026	4	121.8285	1.026	4	121.8285	1.026	4	121.8285	1.026	4	122.2344	1.593	5
956	490	786	0:SP3_SP3_SP3	N	C	B[5,5]	4:4:4:	3:1:1:1:	3:3:4:3:	B[5,5]-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5,6]-3:N[5,6]-3:B[5,5]-4:N-3:	N(B[5,5]B[5,5]N[5,6]2)(CH3)2	C(NB[5,5]C)(H)3	B[5,5](N[5,6]C[5,6,6]C[6])2(B[5,5]N[5,6]2N)(NCC)	N(B[5,5]B[5,5]N[5,6]2)(CH3)2	C(NB[5,5]C)(H)3	B[5,5](N[5,6]C[5,6,6]C[6])2(B[5,5]N[5,6]2N)(NCC){2|N<3>,4|C<4>,4|H<1>}	115.5215	0.812	4	115.5215	0.659	4	115.5215	0.659	4	115.5215	0.659	4	115.5215	0.659	4	115.5215	0.659	4
956	490	790	0:SP2_SP-NON_SP3	N	C	Cl	3:4:1:	3:4:4:4:	3:	C-3:C-4:Cl-1:	N-3:C-4:C-4:C-4:	N-3:	N(CC[6a]O)(CC3)(Cl)	C(NClC)(CH3)3	Cl(NCC)	N(CC[6a]O)(CC3)(Cl)	C(NClC)(CH3)3	Cl(NCC)	118.0220	0.000	1	118.0220	0.000	1	118.0220	0.000	1	118.0220	0.000	1	118.0220	0.000	1	118.0220	0.000	1
956	490	790	0:SP3_SP-NON_SP3	N	C	Cl	4:4:1:	3:1:1:1:	3:	S-4:C-4:Cl-1:	N-3:H-1:H-1:H-1:	N-3:	N(SC[6a]OO)(CH3)(Cl)	C(NClS)(H)3	Cl(NCS)	N(SC[6a]OO)(CH3)(Cl)	C(NClS)(H)3	Cl(NCS)	110.6740	0.000	1	110.6740	0.000	1	110.6740	0.000	1	110.6740	0.000	1	111.3035	0.793	2	111.3035	0.793	2
956	490	790	0:SP3_SP-NON_SP3	N	C	Cl	4:4:1:	4:3:1:1:	3:	S-4:C-4:Cl-1:	C-4:N-3:H-1:H-1:	N-3:	N(SC[6a]OO)(CCHH)(Cl)	C(CCHH)(NClS)(H)2	Cl(NCS)	N(SC[6a]OO)(CCHH)(Cl)	C(CCHH)(NClS)(H)2	Cl(NCS)	111.9330	0.000	1	111.9330	0.000	1	111.9330	0.000	1	111.9330	0.000	1	111.3035	0.793	2	111.3035	0.793	2
956	490	813	0:SP2_SP2_SP3	N	C	N[5a]	3:4:1:	4:3:1:1:	3:3:3:	N[5a]-3:C-4:H-1:	C[5]-4:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	N(N[5a]C[5a]2)(CC[5]HH)(H)	C(C[5]C[5]2Fe)(NN[5a]H)(H)2	N[5a](C[5a]N[5a]H)2(NCH)	N(N[5a]C[5a]2)(CC[5]HH)(H)	C(C[5]C[5]2Fe)(NN[5a]H)(H)2	N[5a](C[5a]N[5a]H)2(NCH)	110.6450	0.000	1	110.6450	0.000	1	110.6450	0.000	1	110.6450	0.000	1	115.0280	38.421	2	115.0280	38.421	2
956	490	813	0:SP2_SP2_SP3	N	C	N[5a]	3:4:3:	3:3:1:1:	3:3:3:	N[5a]-3:C-4:C-3:	C[6a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	N(N[5a]C[5a]2)(CC[6a]HH)(CNO)	C(C[6a]C[6a]2)(NN[5a]C)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Cl)(NCC)	N(N[5a]C[5a]2)(CC[6a]HH)(CNO)	C(C[6a]C[6a]2)(NN[5a]C)(H)2	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]Cl)(NCC){1|C<4>,1|H<1>,2|C<3>}	119.4110	0.000	1	119.4110	0.000	1	119.4110	0.000	1	119.4110	0.000	1	115.0280	38.421	2	115.0280	38.421	2
956	490	813	0:SP3_SP2_SP3	N	C	N[5a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:N[5a]-3:C-4:	N-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	N(C[6a]C[6a]2)(N[5a]C[5a]2)(CH3)	C(NC[6a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(NC[6a]C)	N(C[6a]C[6a]2)(N[5a]C[5a]2)(CH3)	C(NC[6a]N[5a])(H)3	N[5a](C[5a]C[5a]C[6a])(C[5a]C[5a]C)(NC[6a]C){1|C<4>,1|H<1>,2|C<3>}	114.6390	0.000	1	114.6390	0.000	1	114.6390	0.000	1	114.6390	0.000	1	111.4121	2.077	70	111.4121	2.077	70
956	490	813	0:SP3_SP2_SP3	N	C	N[5a]	3:4:1:	3:1:1:1:	3:3:3:	N[5a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	B[5a]-3:B[5a]-3:N-3:	N(N[5a]B[5a]2)(CH3)(H)	C(NN[5a]H)(H)3	N[5a](B[5a]C[6a]N[5a])2(NCH)	N(N[5a]B[5a]2)(CH3)(H)	C(NN[5a]H)(H)3	N[5a](B[5a]C[6a]N[5a])2(NCH){1|C<4>,1|H<1>,4|C<3>}	110.4150	0.000	1	110.7150	0.180	2	110.7150	0.180	2	110.7150	0.180	2	111.4121	2.077	70	111.4121	2.077	70
956	490	813	0:SP3_SP2_SP3	N	C	N[5a]	3:4:1:	3:1:1:1:	3:3:3:	N[5a]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	B[5a]-3:B[5a]-3:N-3:	N(N[5a]B[5a]2)(CH3)(H)	C(NN[5a]H)(H)3	N[5a](B[5a]C[6a]N[5a])2(NCH)	N(N[5a]B[5a]2)(CH3)(H)	C(NN[5a]H)(H)3	N[5a](B[5a]C[6a]N[5a])2(NCH){2|Rh<6>,1|C<4>,4|C<3>}	111.0150	0.000	1	110.7150	0.180	2	110.7150	0.180	2	110.7150	0.180	2	111.4121	2.077	70	111.4121	2.077	70
956	490	813	0:SP3_SP2_SP3	N	C	N[5a]	3:4:1:	3:3:1:1:	3:3:3:	N[5a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	N(N[5a]C[5a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NN[5a]H)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(NCH)	N(N[5a]C[5a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NN[5a]H)(H)2	N[5a](C[5a]C[6a]N[5a])(C[5a]N[5a]O)(NCH){1|H<1>,2|C<3>}	110.7890	0.000	1	110.7890	0.000	1	111.7344	0.797	8	111.7344	0.797	8	111.4121	2.077	70	111.4121	2.077	70
956	490	813	0:SP3_SP2_SP3	N	C	N[5a]	3:4:1:	3:3:1:1:	3:3:3:	N[5a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	N(N[5a]C[5a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NN[5a]H)(H)2	N[5a](C[5a]C[6a]N[5a])2(NCH)	N(N[5a]C[5a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NN[5a]H)(H)2	N[5a](C[5a]C[6a]N[5a])2(NCH){4|C<3>}	112.6840	0.112	3	112.6840	0.013	3	111.7344	0.797	8	111.7344	0.797	8	111.4121	2.077	70	111.4121	2.077	70
956	490	813	0:SP3_SP2_SP3	N	C	N[5a]	3:4:1:	3:3:1:1:	3:3:3:	N[5a]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	N(N[5a]C[5a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NN[5a]H)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCH)	N(N[5a]C[5a]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NN[5a]H)(H)2	N[5a](C[5a]N[5a]C)(C[5a]N[5a]O)(NCH){1|H<1>}	111.2585	0.592	4	111.2585	0.350	4	111.7344	0.797	8	111.7344	0.797	8	111.4121	2.077	70	111.4121	2.077	70
956	490	813	0:SP3_SP2_SP3	N	C	N[5a]	3:4:1:	3:3:2:1:	3:3:3:	N[5a]-3:C-4:H-1:	C[6a]-3:N-3:O-2:H-1:	C[5a]-3:C[5a]-3:N-3:	N(N[5a]C[5a]2)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(NN[5a]H)(OH)(H)	N[5a](C[5a]N[5a]H)2(NCH)	N(N[5a]C[5a]2)(CC[6a]HO)(H)	C(C[6a]C[6a]2)(NN[5a]H)(OH)(H)	N[5a](C[5a]N[5a]H)2(NCH)	111.4025	0.658	6	111.4025	0.432	6	111.4025	0.432	6	111.4025	0.432	6	111.4121	2.077	70	111.4121	2.077	70
956	490	813	0:SP3_SP2_SP3	N	C	N[5a]	3:4:1:	3:3:3:1:	3:3:3:	N[5a]-3:C-4:H-1:	C[6a]-3:N-3:C-3:H-1:	C[5a]-3:C[5a]-3:N-3:	N(N[5a]C[5a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NN[5a]H)(CCH)(H)	N[5a](C[5a]N[5a]H)2(NCH)	N(N[5a]C[5a]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NN[5a]H)(CCH)(H)	N[5a](C[5a]N[5a]H)2(NCH)	111.9160	0.000	1	111.9160	0.000	1	111.9160	0.000	1	111.9160	0.000	1	111.4121	2.077	70	111.4121	2.077	70
956	490	813	0:SP3_SP2_SP3	N	C	N[5a]	3:4:1:	3:4:1:1:	3:2:3:	N[5a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:N-3:	N(N[5a]C[5a]N[5a])(CCHH)(H)	C(NN[5a]H)(CN3)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NCH)	N(N[5a]C[5a]N[5a])(CCHH)(H)	C(NN[5a]H)(CN3)(H)2	N[5a](C[5a]C[5a]N)(N[5a]C[5a])(NCH){2|N<3>}	113.7733	2.095	3	113.7733	4.391	3	113.8855	2.978	4	113.8855	2.978	4	111.4121	2.077	70	111.4121	2.077	70
956	490	813	0:SP3_SP2_SP3	N	C	N[5a]	3:4:1:	3:4:1:1:	3:2:3:	N[5a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:N-3:	N(N[5a]C[5a]N[5a])(CCHH)(H)	C(NN[5a]H)(CN3)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(NCH)	N(N[5a]C[5a]N[5a])(CCHH)(H)	C(NN[5a]H)(CN3)(H)2	N[5a](C[5a]N[5a]H)(N[5a]N[5a])(NCH)	114.2220	0.000	1	114.2220	0.000	1	113.8855	2.978	4	113.8855	2.978	4	111.4121	2.077	70	111.4121	2.077	70
956	490	813	0:SP3_SP2_SP3	N	C	N[5a]	3:4:1:	3:4:1:1:	3:3:3:	N[5a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	N(N[5a]C[5a]2)(CCHH)(H)	C(NN[5a]H)(CFNN)(H)2	N[5a](C[5a]N[5a]H)2(NCH)	N(N[5a]C[5a]2)(CCHH)(H)	C(NN[5a]H)(CFNN)(H)2	N[5a](C[5a]N[5a]H)2(NCH)	113.5340	0.000	1	113.5340	0.000	1	113.4100	0.030	3	113.4100	0.030	3	111.4121	2.077	70	111.4121	2.077	70
956	490	813	0:SP3_SP2_SP3	N	C	N[5a]	3:4:1:	3:4:1:1:	3:3:3:	N[5a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	N(N[5a]C[5a]2)(CCHH)(H)	C(NN[5a]H)(CN3)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(NCH)	N(N[5a]C[5a]2)(CCHH)(H)	C(NN[5a]H)(CN3)(H)2	N[5a](C[5a]C[5a]H)(C[5a]N[5a]N)(NCH){1|N<3>}	113.4850	0.000	1	113.4850	0.000	1	113.4100	0.030	3	113.4100	0.030	3	111.4121	2.077	70	111.4121	2.077	70
956	490	813	0:SP3_SP2_SP3	N	C	N[5a]	3:4:1:	3:4:1:1:	3:3:3:	N[5a]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	N(N[5a]C[5a]2)(CCHH)(H)	C(NN[5a]H)(CN3)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(NCH)	N(N[5a]C[5a]2)(CCHH)(H)	C(NN[5a]H)(CN3)(H)2	N[5a](C[5a]C[5a]N)(C[5a]N[5a]H)(NCH){1|N<3>}	113.2110	0.000	1	113.2110	0.000	1	113.4100	0.030	3	113.4100	0.030	3	111.4121	2.077	70	111.4121	2.077	70
956	490	813	0:SP3_SP2_SP3	N	C	N[5a]	3:4:4:	3:1:1:1:	3:3:3:	N[5a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5a,6a]-3:C[5a]-3:N-3:	N(N[5a]C[5a,6a]C[5a])(CH3)2	C(NN[5a]C)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(NCC)	N(N[5a]C[5a,6a]C[5a])(CH3)2	C(NN[5a]C)(H)3	N[5a](C[5a,6a]C[5a,6a]C[6a])(C[5a]C[5a]C)(NCC){1|C<2>,1|H<1>,2|C<3>}	111.6487	0.449	4	111.6487	0.202	4	111.6487	0.202	4	111.2529	1.249	37	111.4121	2.077	70	111.4121	2.077	70
956	490	813	0:SP3_SP2_SP3	N	C	N[5a]	3:4:4:	3:1:1:1:	3:3:3:	N[5a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	N(N[5a]C[5a]2)(CH3)2	C(NN[5a]C)(H)3	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(NCC)	N(N[5a]C[5a]2)(CH3)2	C(NN[5a]C)(H)3	N[5a](C[5a]C[5a]2)(C[5a]C[5a]H)(NCC){1|C<3>,1|N<3>,2|H<1>}	110.1859	0.494	15	110.1859	0.244	15	111.2050	1.364	33	111.2529	1.249	37	111.4121	2.077	70	111.4121	2.077	70
956	490	813	0:SP3_SP2_SP3	N	C	N[5a]	3:4:4:	3:1:1:1:	3:3:3:	N[5a]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5a]-3:C[5a]-3:N-3:	N(N[5a]C[5a]2)(CH3)2	C(NN[5a]C)(H)3	N[5a](C[5a]C[5a]2)2(NCC)	N(N[5a]C[5a]2)(CH3)2	C(NN[5a]C)(H)3	N[5a](C[5a]C[5a]2)2(NCC){2|C<3>,2|H<1>,2|N<3>}	112.0542	0.829	18	112.0542	0.687	18	111.2050	1.364	33	111.2529	1.249	37	111.4121	2.077	70	111.4121	2.077	70
956	490	813	0:SP3_SP2_SP3	N	C	N[5a]	3:4:4:	3:4:1:1:	3:2:3:	N[5a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:N-3:	N(N[5a]C[5a]N[5a])(CCHH)2	C(NN[5a]C)(CH3)(H)2	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC)	N(N[5a]C[5a]N[5a])(CCHH)2	C(NN[5a]C)(CH3)(H)2	N[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a])(NCC){2|C<3>}	109.8467	0.630	6	109.8467	0.396	6	109.5551	0.574	8	109.5551	0.574	8	111.4121	2.077	70	111.4121	2.077	70
956	490	813	0:SP3_SP2_SP3	N	C	N[5a]	3:4:4:	3:4:1:1:	3:2:3:	N[5a]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[5a]-3:N[5a]-2:N-3:	N(N[5a]C[5a]N[5a])(CCHH)2	C(NN[5a]C)(CH3)(H)2	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(NCC)	N(N[5a]C[5a]N[5a])(CCHH)2	C(NN[5a]C)(CH3)(H)2	N[5a](C[5a]C[5a,6a]C[6a])(N[5a]C[5a,6a])(NCC){1|N<2>,3|C<3>}	108.6805	0.005	2	108.6805	0.000	2	109.5551	0.574	8	109.5551	0.574	8	111.4121	2.077	70	111.4121	2.077	70
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:2:4:	3:1:1:1:	2:2:3:	C[5]-3:N-2:C-4:	N-3:H-1:H-1:H-1:	N[5]-2:S[5]-2:N-3:	N(C[5]N[5]S[5])(NC[6])(CH3)	C(NC[5]N)(H)3	C[5](N[5]C[5])(S[5]C[5])(NCN)	N(C[5]N[5]S[5])(NC[6])(CH3)	C(NC[5]N)(H)3	C[5](N[5]C[5])(S[5]C[5])(NCN){1|C<3>,1|O<1>}	121.8750	0.000	1	121.8750	0.000	1	121.8750	0.000	1	121.8750	0.000	1	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:3:4:	3:1:1:1:	2:2:3:	C[5]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	N[5]-2:S[5]-2:N-3:	N(C[5]N[5]S[5])(CC[6a]O)(CH3)	C(NC[5]C)(H)3	C[5](N[5]C[5])(S[5]C[5])(NCC)	N(C[5]N[5]S[5])(CC[6a]O)(CH3)	C(NC[5]C)(H)3	C[5](N[5]C[5])(S[5]C[5])(NCC){2|C<4>,2|H<1>}	115.2130	0.000	1	115.2130	0.000	1	115.2130	0.000	1	117.0135	6.484	2	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:3:4:	3:1:1:1:	2:2:3:	C[5]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	N[5]-2:O[5]-2:N-3:	N(C[5]N[5]O[5])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[5])(H)3	C[5](N[5]C[5])(O[5]N[5])(NC[6a]C)	N(C[5]N[5]O[5])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[5])(H)3	C[5](N[5]C[5])(O[5]N[5])(NC[6a]C){1|C<4>,1|H<1>,2|C<3>}	118.8140	0.000	1	118.8140	0.000	1	118.8140	0.000	1	117.0135	6.484	2	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:3:4:	3:1:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	N-3:H-1:H-1:H-1:	N[5]-3:O[5]-2:N-3:	N(C[5]N[5]O[5])2(CH3)	C(NC[5]2)(H)3	C[5](N[5]C[5]Pd)(O[5]C[5])(NC[5]C)	N(C[5]N[5]O[5])2(CH3)	C(NC[5]2)(H)3	C[5](N[5]C[5]Pd)(O[5]C[5])(NC[5]C){1|C<4>,3|H<1>}	120.5765	0.257	2	120.5765	0.066	2	120.5765	0.066	2	120.2732	1.838	4	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:3:4:	3:1:1:1:	3:2:3:	C[5]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:N-3:	N(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[5])(H)3	C[5](C[5]C[5]H)(N[5]C[5])(NC[6a]C)	N(C[5]C[5]N[5])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[5])(H)3	C[5](C[5]C[5]H)(N[5]C[5])(NC[6a]C){1|C<3>,1|H<1>}	119.9700	2.254	2	119.9700	5.082	2	119.9700	5.082	2	120.2732	1.838	4	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N(C[5]C[5]2)(CRuH)(CH3)	C(NC[5]C)(H)3	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(NCC)	N(C[5]C[5]2)(CRuH)(CH3)	C(NC[5]C)(H)3	C[5](C[5]C[5,6a]H)(C[5]C[5,6a]P)(NCC){2|C<3>}	114.7870	0.005	3	114.7870	0.000	3	114.7870	0.000	3	118.7547	14.003	7	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:C[6a]-3:C-4:	N-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:N-3:	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NC[6a]C)	N(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CH3)	C(NC[6a]C[5])(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]C)(NC[6a]C){1|H<1>,1|O<1>,2|C<3>}	122.4510	0.000	1	122.4510	0.000	1	122.4510	0.000	1	118.7547	14.003	7	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N-3:C-4:	N-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N(C[5]N[5]2)(NCoC)(CH3)	C(NC[5]N)(H)3	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(NCN)	N(C[5]N[5]2)(NCoC)(CH3)	C(NC[5]N)(H)3	C[5](N[5]C[5,6a]Co)(N[5]C[5,6a]H)(NCN){2|C<3>}	121.2710	0.000	1	121.2710	0.000	1	121.1610	0.024	2	118.7547	14.003	7	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N-3:C-4:	N-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N(C[5]N[5]2)(NFeC)(CH3)	C(NC[5]N)(H)3	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]H)(NCN)	N(C[5]N[5]2)(NFeC)(CH3)	C(NC[5]N)(H)3	C[5](N[5]C[5,6a]Fe)(N[5]C[5,6a]H)(NCN){2|C<3>}	121.0510	0.000	1	121.0510	0.000	1	121.1610	0.024	2	118.7547	14.003	7	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[5]-3:C-4:	N-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N(C[6a]C[6a]2)(C[5]C[5]2)(CH3)	C(NC[6a]C[5])(H)3	C[5](C[5]C[5]H)(C[5]N[5]O)(NC[6a]C)	N(C[6a]C[6a]2)(C[5]C[5]2)(CH3)	C(NC[6a]C[5])(H)3	C[5](C[5]C[5]H)(C[5]N[5]O)(NC[6a]C){1|C<3>,1|O<1>}	122.1490	0.000	1	122.1490	0.000	1	122.1490	0.000	1	118.7547	14.003	7	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:N-3:	N(C[5]C[5]2)(CRuH)(CH3)	C(NC[5]C)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NCC)	N(C[5]C[5]2)(CRuH)(CH3)	C(NC[5]C)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NCC){2|C<3>}	117.2860	0.000	1	117.2860	0.000	1	119.6908	1.887	5	119.6908	1.887	5	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:3:4:	3:1:1:1:	4:3:3:	C[5]-3:C-3:C-4:	N-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:N-3:	N(C[5]C[5]2)(CRuH)(CH3)	C(NC[5]C)(H)3	C[5](C[5]C[5,6a]RuP)(C[5]C[5,6a]H)(NCC)	N(C[5]C[5]2)(CRuH)(CH3)	C(NC[5]C)(H)3	C[5](C[5]C[5,6a]RuP)(C[5]C[5,6a]H)(NCC){2|C<3>}	120.2920	0.327	4	120.2920	0.107	4	119.6908	1.887	5	119.6908	1.887	5	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:3:4:	3:3:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	C[5a]-3:N-3:H-1:H-1:	N[5]-3:O[5]-2:N-3:	N(C[5]N[5]O[5])2(CC[5a]HH)	C(C[5a]C[5a]N[5a])(NC[5]2)(H)2	C[5](N[5]C[5]Cu)(O[5]C[5])(NC[5]C)	N(C[5]N[5]O[5])2(CC[5a]HH)	C(C[5a]C[5a]N[5a])(NC[5]2)(H)2	C[5](N[5]C[5]Cu)(O[5]C[5])(NC[5]C){1|C<4>,3|H<1>}	119.3405	2.313	2	119.3405	5.350	2	119.3405	5.350	2	119.3405	5.350	2	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:3:4:	3:4:1:1:	3:2:3:	C[5]-3:C[5]-3:C-4:	N-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-2:N-3:	N(C[5]C[5,6a]N[5])2(CCHH)	C(NC[5]2)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NC[5]C)	N(C[5]C[5,6a]N[5])2(CCHH)	C(NC[5]2)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NC[5]C){1|H<1>,2|C<3>,2|O<1>}	116.3545	0.716	2	116.3545	0.513	2	116.3545	0.513	2	116.3545	0.513	2	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:1:1:1:	2:2:3:	C[5]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	S[5]-2:N[5]-2:N-3:	N(C[5]N[5]S[5])(CH3)(H)	C(NC[5]H)(H)3	C[5](S[5]Ga[3x5])(N[5]N[5,5])(NCH)	N(C[5]N[5]S[5])(CH3)(H)	C(NC[5]H)(H)3	C[5](S[5]Ga[3x5])(N[5]N[5,5])(NCH){1|Cl<1>,1|C<3>,1|N<3>,1|S<2>}	123.0695	0.349	2	123.0695	0.122	2	123.0695	0.122	2	123.0695	0.122	2	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:1:1:1:	3:2:3:	C[5]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:N-3:	N(C[5]N[5]2)(CH3)(H)	C(NC[5]H)(H)3	C[5](N[5]C[5]C)(N[5]S[5])(NCH)	N(C[5]N[5]2)(CH3)(H)	C(NC[5]H)(H)3	C[5](N[5]C[5]C)(N[5]S[5])(NCH){1|N<3>}	121.4620	0.000	1	121.4620	0.000	1	121.4620	0.000	1	121.4620	0.000	1	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:1:1:1:	3:3:3:	C[5]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N(C[5]N[5]2)(CH3)(H)	C(NC[5]H)(H)3	C[5](N[5]C[5,5]C)2(NCH)	N(C[5]N[5]2)(CH3)(H)	C(NC[5]H)(H)3	C[5](N[5]C[5,5]C)2(NCH){2|H<1>,2|N<3>}	128.8040	0.000	1	128.8040	0.000	1	126.8110	7.944	2	125.6313	8.147	3	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:1:1:1:	3:3:3:	C[5]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N(C[5]N[5]2)(CH3)(H)	C(NC[5]H)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(NCH)	N(C[5]N[5]2)(CH3)(H)	C(NC[5]H)(H)3	C[5](N[5]C[6a]C[5])(N[5]C[5]C)(NCH){2|C<3>,4|H<1>}	124.8180	0.000	1	124.8180	0.000	1	126.8110	7.944	2	125.6313	8.147	3	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:1:1:1:	3:3:3:	C[5]-3:C-4:O-1:	N-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:N-3:	N(C[5]C[5,6a]C[5])(CH3)(O)	C(NC[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCO)	N(C[5]C[5,6a]C[5])(CH3)(O)	C(NC[5]O)(H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]N[5]O)(NCO){2|C<3>,2|H<1>}	123.2720	0.000	1	123.2720	0.000	1	123.2720	0.000	1	125.6313	8.147	3	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:1:1:1:	4:3:3:	C[5]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:N-3:	N(C[5]C[5]2)(CH3)(H)	C(NC[5]H)(H)3	C[5](C[5]O[5]HH)(C[5]C[5]C)(NCH)	N(C[5]C[5]2)(CH3)(H)	C(NC[5]H)(H)3	C[5](C[5]O[5]HH)(C[5]C[5]C)(NCH){2|C<3>}	124.3950	0.000	1	124.3950	0.000	1	124.3950	0.000	1	124.3950	0.000	1	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:2:1:1:	3:2:3:	C[5]-3:C-4:H-1:	N-3:C-2:H-1:H-1:	N[5]-3:O[5]-2:N-3:	N(C[5]N[5]O[5])(CCHH)(H)	C(NC[5]H)(CC)(H)2	C[5](N[5]C[5]H)(O[5]C[5])(NCH)	N(C[5]N[5]O[5])(CCHH)(H)	C(NC[5]H)(CC)(H)2	C[5](N[5]C[5]H)(O[5]C[5])(NCH){1|C<3>,2|H<1>}	123.4660	0.000	1	123.4660	0.000	1	123.4660	0.000	1	123.4660	0.000	1	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:3:1:1:	3:2:3:	C[5]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[5,6a]-3:N[5]-2:N-3:	N(C[5]C[5,6a]N[5])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NCH)	N(C[5]C[5,6a]N[5])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NCH){1|H<1>,2|C<3>,2|O<1>}	122.6680	0.000	1	122.6680	0.000	1	122.6680	0.000	1	124.5722	2.103	9	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:3:1:1:	3:2:3:	C[5]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[5]-3:O[5]-2:N-3:	N(C[5]C[5]O[5])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(NCH)	N(C[5]C[5]O[5])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[5](C[5]C[5]C)(O[5]C[5])(NCH){1|O<1>,2|H<1>}	125.3020	0.786	3	125.3020	0.618	3	125.3020	0.618	3	124.5722	2.103	9	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:3:1:1:	3:2:3:	C[5]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[5]-3:S[5]-2:N-3:	N(C[5]C[5]S[5])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[5](C[5]C[5]C)(S[5]C[5])(NCH)	N(C[5]C[5]S[5])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[5](C[5]C[5]C)(S[5]C[5])(NCH){1|C<4>,1|H<1>,1|O<1>}	125.5785	0.334	2	125.5785	0.112	2	125.5785	0.112	2	124.5722	2.103	9	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:3:1:1:	3:2:3:	C[5]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[5]-3:S[5]-2:N-3:	N(C[5]N[5]S[5])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[5](N[5]C[5]H)(S[5]C[5])(NCH)	N(C[5]N[5]S[5])(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[5](N[5]C[5]H)(S[5]C[5])(NCH){1|C<4>,1|H<1>}	123.8063	1.799	3	123.8063	3.235	3	123.8063	3.235	3	124.5722	2.103	9	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:3:1:1:	3:3:3:	C[5]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N(C[5]N[5]2)(CC[6a]HH)(H)	C(C[6a]C[6a,6a]C[6a])(NC[5]H)(H)2	C[5](N[5]C[5,6a]H)2(NCH)	N(C[5]N[5]2)(CC[6a]HH)(H)	C(C[6a]C[6a,6a]C[6a])(NC[5]H)(H)2	C[5](N[5]C[5,6a]H)2(NCH){2|C<3>}	122.5020	0.198	2	122.5020	0.039	2	123.0670	1.033	8	123.0670	1.033	8	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:3:1:1:	3:3:3:	C[5]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N(C[5]N[5]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[5](N[5]C[5,6a]H)2(NCH)	N(C[5]N[5]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[5](N[5]C[5,6a]H)2(NCH){2|C<3>}	123.4250	1.170	5	123.4250	1.370	5	123.0670	1.033	8	123.0670	1.033	8	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:3:1:1:	3:3:3:	C[5]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N(C[5]N[5]2)(CC[6a]HH)(H)	C(C[6a]N[6a]2)(NC[5]H)(H)2	C[5](N[5]C[5]H)2(NCH)	N(C[5]N[5]2)(CC[6a]HH)(H)	C(C[6a]N[6a]2)(NC[5]H)(H)2	C[5](N[5]C[5]H)2(NCH){4|H<1>}	122.4070	0.000	1	122.4070	0.000	1	123.0670	1.033	8	123.0670	1.033	8	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:3:1:1:	4:3:3:	C[5]-3:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	N(C[5]C[5]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCH)	N(C[5]C[5]2)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NC[5]H)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCH){1|C<3>,3|H<1>}	123.9170	0.000	1	123.9170	0.000	1	123.9170	0.000	1	122.5948	5.055	4	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:3:1:1:	4:3:3:	C[5]-3:C-4:H-1:	N-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	N(C[5]C[5]2)(CCHH)(H)	C(NC[5]H)(COO)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]H)(NCH)	N(C[5]C[5]2)(CCHH)(H)	C(NC[5]H)(COO)(H)2	C[5](C[5]N[5]CH)(C[5]C[5]H)(NCH){1|H<1>,1|O<1>}	120.7135	0.620	2	120.7135	0.385	2	122.1540	6.417	3	122.5948	5.055	4	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:3:1:1:	4:3:3:	C[5]-3:C-4:H-1:	N-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	N(C[5]C[5]2)(CCHH)(H)	C(NC[5]H)(COO)(H)2	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCH)	N(C[5]C[5]2)(CCHH)(H)	C(NC[5]H)(COO)(H)2	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCH){1|O<1>}	125.0350	0.000	1	125.0350	0.000	1	122.1540	6.417	3	122.5948	5.055	4	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:3:4:1:	3:2:3:	C[5]-3:C-4:H-1:	C[6a]-3:N-3:P-4:H-1:	N[5]-3:O[5]-2:N-3:	N(C[5]N[5]O[5])(CC[6a]HP)(H)	C(C[6a]C[6a]2)(NC[5]H)(PO3)(H)	C[5](N[5]N[5]Ru)(O[5]C[5])(NCH)	N(C[5]N[5]O[5])(CC[6a]HP)(H)	C(C[6a]C[6a]2)(NC[5]H)(PO3)(H)	C[5](N[5]N[5]Ru)(O[5]C[5])(NCH){1|C<3>}	122.1480	0.000	1	122.1480	0.000	1	122.1480	0.000	1	122.1480	0.000	1	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:3:4:1:	4:3:3:	C[5]-3:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	C[5]-4:C[5]-3:N-3:	N(C[5]C[5]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[5]H)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(NCH)	N(C[5]C[5]2)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NC[5]H)(CH3)(H)	C[5](C[5]C[5]CH)(C[5]C[5]C)(NCH){4|H<1>}	128.6770	0.000	1	128.6770	0.000	1	128.6770	0.000	1	128.6770	0.000	1	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:1:1:	2:2:3:	C[5]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	S[5]-2:N[5]-2:N-3:	N(C[5]N[5]S[5])(CCHH)(H)	C(NC[5]H)(CH3)(H)2	C[5](S[5]Se[5])(N[5]C[5])(NCH)	N(C[5]N[5]S[5])(CCHH)(H)	C(NC[5]H)(CH3)(H)2	C[5](S[5]Se[5])(N[5]C[5])(NCH){1|C<3>}	125.2650	0.000	1	125.2650	0.000	1	125.2650	0.000	1	125.2650	0.000	1	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:1:1:	3:2:3:	C[5]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5,6a]-3:N[5]-2:N-3:	N(C[5]C[5,6a]N[5])(CCHH)(H)	C(NC[5]H)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NCH)	N(C[5]C[5,6a]N[5])(CCHH)(H)	C(NC[5]H)(CH3)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(N[5]S[5])(NCH){1|H<1>,2|C<3>,2|O<1>}	124.0100	0.000	1	124.0100	0.000	1	124.0100	0.000	1	122.9424	2.969	7	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:1:1:	3:2:3:	C[5]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:N-3:	N(C[5]N[5]2)(CCHH)(H)	C(NC[5]H)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5])(NCH)	N(C[5]N[5]2)(CCHH)(H)	C(NC[5]H)(CCHH)(H)2	C[5](N[5]C[5]C)(N[5]C[5])(NCH){4|H<1>}	121.2880	0.000	1	121.2880	0.000	1	121.6505	0.263	2	122.9424	2.969	7	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:1:1:	3:2:3:	C[5]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[5]-3:N[5]-2:N-3:	N(C[5]N[5]2)(CCHH)(H)	C(NC[5]H)(CCHH)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5])(NCH)	N(C[5]N[5]2)(CCHH)(H)	C(NC[5]H)(CCHH)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5])(NCH){1|O<1>,3|C<3>}	122.0130	0.000	1	122.0130	0.000	1	121.6505	0.263	2	122.9424	2.969	7	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:1:1:	3:2:3:	C[5]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:N-3:	N(C[5]N[5]S[5])(CCHH)(H)	C(NC[5]H)(CCHH)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NCH)	N(C[5]N[5]S[5])(CCHH)(H)	C(NC[5]H)(CCHH)(H)2	C[5](N[5]C[5]C)(S[5]C[5])(NCH){1|C<3>,1|H<1>}	123.8670	0.000	1	123.8670	0.000	1	123.3215	4.166	4	122.9424	2.969	7	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:1:1:	3:2:3:	C[5]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:N-3:	N(C[5]N[5]S[5])(CCHH)(H)	C(NC[5]H)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]S[5])(NCH)	N(C[5]N[5]S[5])(CCHH)(H)	C(NC[5]H)(CH3)(H)2	C[5](N[5]C[5]C)(S[5]S[5])(NCH){1|S<1>}	123.8830	0.000	1	123.8830	0.000	1	123.3215	4.166	4	122.9424	2.969	7	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:1:1:	3:2:3:	C[5]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[5]-3:S[5]-2:N-3:	N(C[5]N[5]S[5])(CCHH)(H)	C(NC[5]H)(CHHN)(H)2	C[5](N[5]C[5]Cu)(S[5]C[5])(NCH)	N(C[5]N[5]S[5])(CCHH)(H)	C(NC[5]H)(CHHN)(H)2	C[5](N[5]C[5]Cu)(S[5]C[5])(NCH){1|C<3>,1|H<1>}	122.7680	3.357	2	122.7680	11.272	2	123.3215	4.166	4	122.9424	2.969	7	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:1:1:	3:3:3:	C[5]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:N-3:	N(C[5]C[5,6a]C[5])(CCHH)(H)	C(NC[5]H)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NCH)	N(C[5]C[5,6a]C[5])(CCHH)(H)	C(NC[5]H)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NCH){1|H<1>,1|N<3>,4|C<3>}	126.8410	0.000	1	126.8410	0.000	1	126.8410	0.000	1	124.6187	2.470	10	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:1:1:	3:3:3:	C[5]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N(C[5]C[5]2)(CCHH)(H)	C(NC[5]H)(CCHH)(H)2	C[5](C[5]C[5]H)(C[5]N[5]O)(NCH)	N(C[5]C[5]2)(CCHH)(H)	C(NC[5]H)(CCHH)(H)2	C[5](C[5]C[5]H)(C[5]N[5]O)(NCH){1|C<4>,1|O<1>}	121.9220	0.000	1	121.9220	0.000	1	124.1834	1.974	5	124.6187	2.470	10	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:1:1:	3:3:3:	C[5]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N(C[5]C[5]2)(CCHH)(H)	C(NC[5]H)(CHHO)(H)2	C[5](C[5]C[5a]C[5])(C[5]N[5]O)(NCH)	N(C[5]C[5]2)(CCHH)(H)	C(NC[5]H)(CHHO)(H)2	C[5](C[5]C[5a]C[5])(C[5]N[5]O)(NCH){1|C<4>,1|O<1>,2|C<3>}	124.7488	0.708	4	124.7488	0.501	4	124.1834	1.974	5	124.6187	2.470	10	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:1:1:	3:3:3:	C[5]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5]-3:N[5]-3:N-3:	N(C[5]C[5]N[5])(CCHH)(H)	C(NC[5]H)(CCHH)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(NCH)	N(C[5]C[5]N[5])(CCHH)(H)	C(NC[5]H)(CCHH)(H)2	C[5](C[5]C[5]C)(N[5]C[5]C)(NCH){1|C<3>,1|O<1>}	125.7770	0.000	1	125.7770	0.000	1	125.7770	0.000	1	124.6187	2.470	10	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:1:1:	3:3:3:	C[5]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N(C[5]N[5]2)(CCHH)(H)	C(NC[5]H)(CCHH)(H)2	C[5](N[5]C[5]N)(N[5]N[5]H)(NCH)	N(C[5]N[5]2)(CCHH)(H)	C(NC[5]H)(CCHH)(H)2	C[5](N[5]C[5]N)(N[5]N[5]H)(NCH){1|H<1>}	122.2640	0.000	1	122.2640	0.000	1	124.2173	3.311	3	124.6187	2.470	10	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:1:1:	3:3:3:	C[5]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N(C[5]N[5]2)(CCHH)(H)	C(NC[5]H)(CHHS)(H)2	C[5](N[5]C[5]H)(N[5]N[5]C)(NCH)	N(C[5]N[5]2)(CCHH)(H)	C(NC[5]H)(CHHS)(H)2	C[5](N[5]C[5]H)(N[5]N[5]C)(NCH){1|N<3>}	125.1940	0.948	2	125.1940	0.898	2	124.2173	3.311	3	124.6187	2.470	10	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:1:1:	4:2:3:	C[5]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	P[5]-4:N[5]-2:N-3:	N(C[5]N[5]P[5])(CCHH)(H)	C(NC[5]H)(CCHH)(H)2	C[5](P[5]C[6a]Se[5]Se)(N[5]P[5])(NCH)	N(C[5]N[5]P[5])(CCHH)(H)	C(NC[5]H)(CCHH)(H)2	C[5](P[5]C[6a]Se[5]Se)(N[5]P[5])(NCH){1|Se<1>,3|C<3>}	120.5430	0.000	1	120.5430	0.000	1	120.5430	0.000	1	120.5430	0.000	1	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:1:1:	4:3:3:	C[5]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:N-3:	N(C[5]C[5]2)(CCHH)(H)	C(NC[5]H)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCH)	N(C[5]C[5]2)(CCHH)(H)	C(NC[5]H)(CCHH)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCH){4|H<1>}	124.9795	0.176	2	124.9795	0.031	2	125.2701	1.202	8	125.2701	1.202	8	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:1:1:	4:3:3:	C[5]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:N-3:	N(C[5]C[5]2)(CCHH)(H)	C(NC[5]H)(CCHH)(H)2	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NCH)	N(C[5]C[5]2)(CCHH)(H)	C(NC[5]H)(CCHH)(H)2	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NCH){1|O<1>}	126.0655	0.346	2	126.0655	0.120	2	125.2701	1.202	8	125.2701	1.202	8	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:1:1:	4:3:3:	C[5]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:N-3:	N(C[5]C[5]2)(CCHH)(H)	C(NC[5]H)(CHHN)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCH)	N(C[5]C[5]2)(CCHH)(H)	C(NC[5]H)(CHHN)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]C)(NCH){4|H<1>}	125.7083	0.653	3	125.7083	0.426	3	125.2701	1.202	8	125.2701	1.202	8	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:1:1:	4:3:3:	C[5]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[5]-4:C[5]-3:N-3:	N(C[5]C[5]2)(CCHH)(H)	C(NC[5]H)(CHHN)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]P)(NCH)	N(C[5]C[5]2)(CCHH)(H)	C(NC[5]H)(CHHN)(H)2	C[5](C[5]C[5]HH)(C[5]C[5]P)(NCH){4|H<1>}	122.9460	0.000	1	122.9460	0.000	1	125.2701	1.202	8	125.2701	1.202	8	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:3:1:	3:2:3:	C[5]-3:C-4:H-1:	N-3:C-4:C-3:H-1:	C[5]-3:S[5]-2:N-3:	N(C[5]C[5]S[5])(CCCH)(H)	C(NC[5]H)(CH3)(CHH)(H)	C[5](C[5]C[5]C)(S[5]S[5])(NCH)	N(C[5]C[5]S[5])(CCCH)(H)	C(NC[5]H)(CH3)(CHH)(H)	C[5](C[5]C[5]C)(S[5]S[5])(NCH){1|N<3>}	124.4440	0.000	1	124.4440	0.000	1	124.4440	0.000	1	124.4440	0.000	1	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:3:1:	4:3:3:	C[5]-3:C-4:H-1:	N-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:N-3:	N(C[5]C[5]2)(CCCH)(H)	C(NC[5]H)(CCCH)(COO)(H)	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NCH)	N(C[5]C[5]2)(CCCH)(H)	C(NC[5]H)(CCCH)(COO)(H)	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NCH){1|O<1>}	124.8830	0.000	1	124.8830	0.000	1	124.6720	0.146	3	124.6720	0.146	3	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:3:1:	4:3:3:	C[5]-3:C-4:H-1:	N-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:N-3:	N(C[5]C[5]2)(CCCH)(H)	C(NC[5]H)(CCCH)(COO)(H)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCH)	N(C[5]C[5]2)(CCCH)(H)	C(NC[5]H)(CCCH)(COO)(H)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCH){1|O<1>}	124.2310	0.000	1	124.2310	0.000	1	124.6720	0.146	3	124.6720	0.146	3	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:3:1:	4:3:3:	C[5]-3:C-4:H-1:	N-3:C-4:C-3:H-1:	C[5]-4:C[5]-3:N-3:	N(C[5]C[5]2)(CCCH)(H)	C(NC[5]H)(CH3)(COO)(H)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCH)	N(C[5]C[5]2)(CCCH)(H)	C(NC[5]H)(CH3)(COO)(H)	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCH){1|O<1>}	124.9020	0.000	1	124.9020	0.000	1	124.6720	0.146	3	124.6720	0.146	3	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:4:1:	3:2:3:	C[5]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	C[5]-3:S[5]-2:N-3:	N(C[5]C[5]S[5])(CCCH)(H)	C(NC[5]H)(CH3)2(H)	C[5](C[5]C[5]C)(S[5]S[5])(NCH)	N(C[5]C[5]S[5])(CCCH)(H)	C(NC[5]H)(CH3)2(H)	C[5](C[5]C[5]C)(S[5]S[5])(NCH){1|N<3>}	123.7370	0.000	1	123.7370	0.000	1	123.7370	0.000	1	121.7133	3.525	3	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:4:1:	3:2:3:	C[5]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	N[5]-3:N[5]-2:N-3:	N(C[5]N[5]2)(CCCH)(H)	C(NC[5]H)(CH3)2(H)	C[5](N[5]C[6a]C[5])(N[5]C[5])(NCH)	N(C[5]N[5]2)(CCCH)(H)	C(NC[5]H)(CH3)2(H)	C[5](N[5]C[6a]C[5])(N[5]C[5])(NCH){1|O<1>,2|C<3>,2|H<1>}	120.0280	0.000	1	120.7015	0.907	2	120.7015	0.907	2	121.7133	3.525	3	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:4:1:	3:2:3:	C[5]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	N[5]-3:N[5]-2:N-3:	N(C[5]N[5]2)(CCCH)(H)	C(NC[5]H)(CH3)2(H)	C[5](N[5]C[6a]C[5])(N[5]C[5])(NCH)	N(C[5]N[5]2)(CCCH)(H)	C(NC[5]H)(CH3)2(H)	C[5](N[5]C[6a]C[5])(N[5]C[5])(NCH){1|O<1>,3|C<3>}	121.3750	0.000	1	120.7015	0.907	2	120.7015	0.907	2	121.7133	3.525	3	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:4:1:	4:3:3:	C[5]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	C[5]-4:N[5]-3:N-3:	N(C[5]C[5]N[5])(CCCH)(H)	C(NC[5]H)(CH3)2(H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(NCH)	N(C[5]C[5]N[5])(CCCH)(H)	C(NC[5]H)(CH3)2(H)	C[5](C[5]C[5]CC)(N[5]C[5]C)(NCH){1|C<3>,3|H<1>}	127.6890	0.286	6	127.6890	0.082	6	127.6890	0.082	6	127.6890	0.082	6	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:4:4:	3:2:3:	C[5]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[5,6a]-3:N[5]-2:N-3:	N(C[5]C[5,6a]N[5])(CC3)(H)	C(NC[5]H)(CH3)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NCH)	N(C[5]C[5,6a]N[5])(CC3)(H)	C(NC[5]H)(CH3)3	C[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5])(NCH){1|H<1>,3|C<3>}	126.5737	0.535	3	126.5737	0.286	3	126.5737	0.286	3	125.6868	4.295	10	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:4:4:	3:2:3:	C[5]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[5]-3:N[5]-2:N-3:	N(C[5]C[5]N[5])(CC3)(H)	C(NC[5]H)(CH3)3	C[5](C[5]C[5,6a]N)(N[5]C[5,6a])(NCH)	N(C[5]C[5]N[5])(CC3)(H)	C(NC[5]H)(CH3)3	C[5](C[5]C[5,6a]N)(N[5]C[5,6a])(NCH){2|C<3>}	127.2220	0.000	1	127.2220	0.000	1	126.9755	0.122	2	125.6868	4.295	10	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:4:4:	3:2:3:	C[5]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[5]-3:N[5]-2:N-3:	N(C[5]C[5]N[5])(CC3)(H)	C(NC[5]H)(CH3)3	C[5](C[5]C[5,6a]O)(N[5]C[5,6a])(NCH)	N(C[5]C[5]N[5])(CC3)(H)	C(NC[5]H)(CH3)3	C[5](C[5]C[5,6a]O)(N[5]C[5,6a])(NCH){2|C<3>}	126.7290	0.000	1	126.7290	0.000	1	126.9755	0.122	2	125.6868	4.295	10	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:4:4:	3:2:3:	C[5]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	N[5,6a]-3:N[5]-2:N-3:	N(C[5]N[5,6a]N[5])(CC3)(H)	C(NC[5]H)(CCHH)(CH3)2	C[5](N[5,6a]C[5,6a]C[6a])(N[5]N[5])(NCH)	N(C[5]N[5,6a]N[5])(CC3)(H)	C(NC[5]H)(CCHH)(CH3)2	C[5](N[5,6a]C[5,6a]C[6a])(N[5]N[5])(NCH){1|H<1>,3|C<3>}	124.0990	0.000	1	124.0990	0.000	1	124.0990	0.000	1	125.6868	4.295	10	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:4:4:	3:2:3:	C[5]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	N[5]-3:N[5]-2:N-3:	N(C[5]N[5]2)(CC3)(H)	C(NC[5]H)(CH3)3	C[5](N[5]C[6a]C[5])(N[5]C[5])(NCH)	N(C[5]N[5]2)(CC3)(H)	C(NC[5]H)(CH3)3	C[5](N[5]C[6a]C[5])(N[5]C[5])(NCH){1|O<1>,2|C<3>,2|C<4>}	122.6270	0.000	1	122.6270	0.000	1	122.6270	0.000	1	125.6868	4.295	10	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:4:4:	3:2:3:	C[5]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	N[5]-3:O[5]-2:N-3:	N(C[5]N[5]O[5])(CC3)(H)	C(NC[5]H)(CH3)3	C[5](N[5]C[5]Zn)(O[5]C[5])(NCH)	N(C[5]N[5]O[5])(CC3)(H)	C(NC[5]H)(CH3)3	C[5](N[5]C[5]Zn)(O[5]C[5])(NCH){4|H<1>}	127.3250	0.281	2	127.3250	0.079	2	127.3250	0.079	2	125.6868	4.295	10	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:4:4:	3:2:3:	C[5]-3:C-4:O-1:	N-3:C-4:C-4:C-4:	N[5]-3:N[5]-2:N-3:	N(C[5]N[5]2)(CC3)(O)	C(NC[5]O)(CH3)3	C[5](N[5]C[5]O)(N[5]C[5])(NCO)	N(C[5]N[5]2)(CC3)(O)	C(NC[5]O)(CH3)3	C[5](N[5]C[5]O)(N[5]C[5])(NCO){4|C<4>}	121.8200	0.000	1	121.8200	0.000	1	121.8200	0.000	1	125.6868	4.295	10	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:4:4:	3:3:3:	C[5]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:N-3:	N(C[5]C[5]2)(CC3)(H)	C(NC[5]H)(CH3)3	C[5](C[5]C[5,5]C)(C[5]C[5]C)(NCH)	N(C[5]C[5]2)(CC3)(H)	C(NC[5]H)(CH3)3	C[5](C[5]C[5,5]C)(C[5]C[5]C)(NCH){1|O<2>,2|C<3>}	129.7960	0.000	1	129.7960	0.000	1	130.0818	5.383	5	128.2400	19.142	9	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:4:4:	3:3:3:	C[5]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:N-3:	N(C[5]C[5]2)(CC3)(H)	C(NC[5]H)(CH3)3	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]N)(NCH)	N(C[5]C[5]2)(CC3)(H)	C(NC[5]H)(CH3)3	C[5](C[5]C[5,6a]C)(C[5]C[5,6a]N)(NCH){2|C<3>}	130.1610	0.000	1	130.1610	0.000	1	130.0818	5.383	5	128.2400	19.142	9	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:4:4:	3:3:3:	C[5]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:N-3:	N(C[5]C[5]2)(CC3)(H)	C(NC[5]H)(CH3)3	C[5](C[5]C[5]C)(C[5]N[5]N)(NCH)	N(C[5]C[5]2)(CC3)(H)	C(NC[5]H)(CH3)3	C[5](C[5]C[5]C)(C[5]N[5]N)(NCH){1|C<3>}	131.1280	0.000	1	131.1280	0.000	1	130.0818	5.383	5	128.2400	19.142	9	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:4:4:	3:3:3:	C[5]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:N-3:	N(C[5]C[5]2)(CC3)(H)	C(NC[5]H)(CH3)3	C[5](C[5]C[5]H)(C[5]N[5]N)(NCH)	N(C[5]C[5]2)(CC3)(H)	C(NC[5]H)(CH3)3	C[5](C[5]C[5]H)(C[5]N[5]N)(NCH){1|C<3>}	126.5000	0.000	1	126.5000	0.000	1	130.0818	5.383	5	128.2400	19.142	9	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:4:4:	3:3:3:	C[5]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:N-3:	N(C[5]C[5]2)(CC3)(H)	C(NC[5]H)(CH3)3	C[5](C[5]C[6a]C[5])(C[5]N[5]N)(NCH)	N(C[5]C[5]2)(CC3)(H)	C(NC[5]H)(CH3)3	C[5](C[5]C[6a]C[5])(C[5]N[5]N)(NCH){3|C<3>}	132.8240	0.000	1	132.8240	0.000	1	130.0818	5.383	5	128.2400	19.142	9	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:4:4:	3:3:3:	C[5]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	N[5,5a]-3:C[5,6]-3:N-3:	N(C[5]N[5,5a]C[5,6])(CC3)(H)	C(NC[5]H)(CH3)3	C[5](N[5,5a]C[5,5a]C[5a])(C[5,6]N[5,6]C[6])(NCH)	N(C[5]N[5,5a]C[5,6])(CC3)(H)	C(NC[5]H)(CH3)3	C[5](N[5,5a]C[5,5a]C[5a])(C[5,6]N[5,6]C[6])(NCH){1|C<4>,1|O<2>,1|S<2>,2|C<3>,2|H<1>}	121.7750	0.000	1	121.7750	0.000	1	121.7750	0.000	1	128.2400	19.142	9	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:4:4:	3:3:3:	C[5]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	N[5,5a]-3:C[5]-3:N-3:	N(C[5]N[5,5a]C[5])(CC3)(H)	C(NC[5]H)(CH3)3	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(NCH)	N(C[5]N[5,5a]C[5])(CC3)(H)	C(NC[5]H)(CH3)3	C[5](N[5,5a]N[5,5a]C[5a])(C[5]C[5]C)(NCH){1|H<1>,1|O<1>,3|C<3>}	134.1470	0.000	1	134.1470	0.000	1	134.1470	0.000	1	128.2400	19.142	9	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:4:4:	3:3:3:	C[5]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:N-3:	N(C[5]N[5]2)(CC3)(H)	C(NC[5]H)(CH3)3	C[5](N[5]C[5]C)2(NCH)	N(C[5]N[5]2)(CC3)(H)	C(NC[5]H)(CH3)3	C[5](N[5]C[5]C)2(NCH){2|H<1>}	124.4320	0.000	1	124.4320	0.000	1	124.4320	0.000	1	128.2400	19.142	9	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:4:4:	3:3:3:	C[5]-3:C-4:O-1:	N-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:N-3:	N(C[5]N[5]2)(CC3)(O)	C(NC[5]O)(CH3)3	C[5](N[5]C[5]O)2(NCO)	N(C[5]N[5]2)(CC3)(O)	C(NC[5]O)(CH3)3	C[5](N[5]C[5]O)2(NCO){4|C<4>}	123.3970	0.000	1	123.3970	0.000	1	123.3970	0.000	1	128.2400	19.142	9	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:4:4:	3:4:3:	C[5]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[5]-3:C[5]-4:N-3:	N(C[5]C[5]2)(CC3)(H)	C(NC[5]H)(CH3)3	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(NCH)	N(C[5]C[5]2)(CC3)(H)	C(NC[5]H)(CH3)3	C[5](C[5]C[6a]C[5])(C[5]C[5]CC)(NCH){1|H<1>,2|C<2>,3|C<3>}	130.1755	0.718	2	130.1755	0.515	2	130.1755	0.515	2	130.1755	0.515	2	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	3:4:4:4:	4:3:3:	C[5]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[5]-4:C[5]-3:N-3:	N(C[5]C[5]2)(CC3)(H)	C(NC[5]H)(CH3)3	C[5](C[5]C[5]CH)(C[5]P[5]P)(NCH)	N(C[5]C[5]2)(CC3)(H)	C(NC[5]H)(CH3)3	C[5](C[5]C[5]CH)(C[5]P[5]P)(NCH){3|C<3>}	135.6160	0.000	1	135.6160	0.000	1	135.6160	0.000	1	135.6160	0.000	1	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	4:3:1:1:	3:2:3:	C[5]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	N[5]-3:N[5]-2:N-3:	N(C[5]N[5]2)(CCHH)(H)	C(CN[6]HH)(NC[5]H)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5])(NCH)	N(C[5]N[5]2)(CCHH)(H)	C(CN[6]HH)(NC[5]H)(H)2	C[5](N[5]C[6a]C[5])(N[5]C[5])(NCH){1|O<1>,3|C<3>}	124.9220	0.000	1	124.9220	0.000	1	124.9220	0.000	1	124.9220	0.000	1	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	4:3:1:1:	3:3:3:	C[5]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[5,6a]-3:C[5]-3:N-3:	N(C[5]C[5,6a]C[5])(CCHH)(H)	C(CN[5]HH)(NC[5]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NCH)	N(C[5]C[5,6a]C[5])(CCHH)(H)	C(CN[5]HH)(NC[5]H)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NCH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	124.2880	0.000	1	124.2880	0.000	1	124.2880	0.000	1	124.2880	0.000	1	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	4:3:4:1:	3:3:3:	C[5]-3:C-4:H-1:	C-4:N-3:C-4:H-1:	C[5,6a]-3:C[5]-3:N-3:	N(C[5]C[5,6a]C[5])(CCCH)(H)	C(CN[5]HH)(NC[5]H)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NCH)	N(C[5]C[5,6a]C[5])(CCCH)(H)	C(CN[5]HH)(NC[5]H)(CH3)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]2)(NCH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	124.3330	0.000	1	124.3330	0.000	1	124.3330	0.000	1	124.3330	0.000	1	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:1:	4:4:3:1:	3:2:3:	C[5]-3:C-4:H-1:	C[3]-4:C[3]-4:N-3:H-1:	N[5]-3:O[5]-2:N-3:	N(C[5]N[5]O[5])(CC[3]2H)(H)	C(C[3]C[3]2H)2(NC[5]H)(H)	C[5](N[5]C[5]H)(O[5]C[5])(NCH)	N(C[5]N[5]O[5])(CC[3]2H)(H)	C(C[3]C[3]2H)2(NC[5]H)(H)	C[5](N[5]C[5]H)(O[5]C[5])(NCH){4|H<1>}	123.5310	0.000	1	123.5310	0.000	1	123.5310	0.000	1	123.5310	0.000	1	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:2:	3:1:1:1:	3:3:3:	C[5]-3:C-4:N-2:	N-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N(C[5]N[5]2)(CH3)(NC)	C(NC[5]N)(H)3	C[5](N[5]C[5,6a]H)2(NCN)	N(C[5]N[5]2)(CH3)(NC)	C(NC[5]N)(H)3	C[5](N[5]C[5,6a]H)2(NCN){2|C<3>}	122.9360	0.592	4	122.9360	0.350	4	122.9360	0.350	4	122.9360	0.350	4	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:2:	3:1:1:1:	4:2:3:	C[5]-3:C-4:O-2:	N-3:H-1:H-1:H-1:	C[5]-4:O[5]-2:N-3:	N(C[5]C[5]O[5])(CH3)(OC)	C(NC[5]O)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(NCO)	N(C[5]C[5]O[5])(CH3)(OC)	C(NC[5]O)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(NCO){2|F<1>}	126.4975	0.248	2	126.4975	0.062	2	126.4975	0.062	2	126.4975	0.062	2	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:3:	3:1:1:1:	3:3:3:	C[5]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N(C[5]N[5]2)(CH3)(COO)	C(NC[5]C)(H)3	C[5](N[5]C[5]C)2(NCC)	N(C[5]N[5]2)(CH3)(COO)	C(NC[5]C)(H)3	C[5](N[5]C[5]C)2(NCC){2|C<4>}	118.8590	0.000	1	119.1030	0.119	2	119.1030	0.119	2	119.1030	0.119	2	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:3:	3:1:1:1:	3:3:3:	C[5]-3:C-4:C-3:	N-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N(C[5]N[5]2)(CH3)(COO)	C(NC[5]C)(H)3	C[5](N[5]C[5]C)2(NCC)	N(C[5]N[5]2)(CH3)(COO)	C(NC[5]C)(H)3	C[5](N[5]C[5]C)2(NCC){2|H<1>}	119.3470	0.000	1	119.1030	0.119	2	119.1030	0.119	2	119.1030	0.119	2	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:3:	3:4:4:4:	3:3:3:	C[5]-3:C-4:C-3:	N-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:N-3:	N(C[5]N[5]2)(CC3)(COO)	C(NC[5]C)(CH3)3	C[5](N[5]C[5]C)2(NCC)	N(C[5]N[5]2)(CC3)(COO)	C(NC[5]C)(CH3)3	C[5](N[5]C[5]C)2(NCC){2|C<4>}	121.0310	0.000	1	119.5687	1.813	3	119.5687	1.813	3	119.5687	1.813	3	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:3:	3:4:4:4:	3:3:3:	C[5]-3:C-4:C-3:	N-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:N-3:	N(C[5]N[5]2)(CC3)(COO)	C(NC[5]C)(CH3)3	C[5](N[5]C[5]C)2(NCC)	N(C[5]N[5]2)(CC3)(COO)	C(NC[5]C)(CH3)3	C[5](N[5]C[5]C)2(NCC){2|H<1>}	118.8375	0.647	2	119.5687	1.813	3	119.5687	1.813	3	119.5687	1.813	3	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:3:	4:3:1:1:	4:3:3:	C[5]-3:C-4:C-3:	C-4:N-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	N(C[5]C[5]2)(CCHH)(COO)	C(CC[6a]HH)(NC[5]C)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NCC)	N(C[5]C[5]2)(CCHH)(COO)	C(CC[6a]HH)(NC[5]C)(H)2	C[5](C[5]C[6a]C[5]H)(C[5]C[5]H)(NCC){1|O<1>,2|C<3>,2|H<1>}	116.5750	0.000	1	116.5750	0.000	1	116.5750	0.000	1	116.5750	0.000	1	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	2:2:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5]-2:N[5]-2:N-3:	N(C[5]N[5]2)(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[5])(N[5]P[5])(NCC)	N(C[5]N[5]2)(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[5])(N[5]P[5])(NCC){1|C<3>,1|C<4>,1|W<6>}	121.5490	3.642	2	121.6317	7.875	4	121.6317	7.875	4	121.4570	2.109	41	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	2:2:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5]-2:N[5]-2:N-3:	N(C[5]N[5]2)(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[5])(N[5]P[5])(NCC)	N(C[5]N[5]2)(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[5])(N[5]P[5])(NCC){1|W<6>,2|C<4>}	121.7145	3.215	2	121.6317	7.875	4	121.6317	7.875	4	121.4570	2.109	41	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	2:2:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5]-2:O[5]-2:N-3:	N(C[5]N[5]O[5])(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[5])(O[5]N[5])(NCC)	N(C[5]N[5]O[5])(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[5])(O[5]N[5])(NCC){1|C<4>,2|C<3>}	121.2150	2.627	4	121.2150	6.902	4	121.2150	6.902	4	121.4570	2.109	41	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	2:2:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5]-2:S[5]-2:N-3:	N(C[5]N[5]S[5])(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[5])(S[5]C[5])(NCC)	N(C[5]N[5]S[5])(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[5])(S[5]C[5])(NCC){1|C<3>,1|O<1>}	121.5170	1.175	2	121.5170	1.381	2	121.3022	0.763	16	121.4570	2.109	41	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	2:2:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5]-2:S[5]-2:N-3:	N(C[5]N[5]S[5])(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[5])(S[5]S[5])(NCC)	N(C[5]N[5]S[5])(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[5])(S[5]S[5])(NCC){1|C<3>}	120.6040	0.641	2	121.2715	0.766	14	121.3022	0.763	16	121.4570	2.109	41	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	2:2:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5]-2:S[5]-2:N-3:	N(C[5]N[5]S[5])(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[5])(S[5]S[5])(NCC)	N(C[5]N[5]S[5])(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[5])(S[5]S[5])(NCC){1|N<3>}	121.3828	0.879	12	121.2715	0.766	14	121.3022	0.763	16	121.4570	2.109	41	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	2:2:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	S[5]-2:N[5]-2:N-3:	N(C[5]N[5]S[5])(CH3)2	C(NC[5]C)(H)3	C[5](S[5]Ga[4x5])(N[5]N[5,5])(NCC)	N(C[5]N[5]S[5])(CH3)2	C(NC[5]C)(H)3	C[5](S[5]Ga[4x5])(N[5]N[5,5])(NCC){1|C<3>,1|S<2>,3|N<3>}	121.5312	1.435	4	121.5312	2.058	4	121.5267	1.750	12	121.4570	2.109	41	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	2:2:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	S[5]-2:N[5]-2:N-3:	N(C[5]N[5]S[5])(CH3)2	C(NC[5]C)(H)3	C[5](S[5]In[5,5,6,6])(N[5]N[5,6])(NCC)	N(C[5]N[5]S[5])(CH3)2	C(NC[5]C)(H)3	C[5](S[5]In[5,5,6,6])(N[5]N[5,6])(NCC){1|C<3>,1|N<3>,1|S<2>,2|O<2>}	121.8088	1.546	4	121.8088	2.391	4	121.5267	1.750	12	121.4570	2.109	41	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	2:2:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	S[5]-2:N[5]-2:N-3:	N(C[5]N[5]S[5])(CH3)2	C(NC[5]C)(H)3	C[5](S[5]In[5,5])(N[5]N[5,5])(NCC)	N(C[5]N[5]S[5])(CH3)2	C(NC[5]C)(H)3	C[5](S[5]In[5,5])(N[5]N[5,5])(NCC){2|Br<1>,1|C<3>,1|N<3>,1|O<3>}	121.8085	1.934	2	121.8085	3.740	2	121.5267	1.750	12	121.4570	2.109	41	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	2:2:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	S[5]-2:N[5]-2:N-3:	N(C[5]N[5]S[5])(CH3)2	C(NC[5]C)(H)3	C[5](S[5]Se[5])(N[5]C[5])(NCC)	N(C[5]N[5]S[5])(CH3)2	C(NC[5]C)(H)3	C[5](S[5]Se[5])(N[5]C[5])(NCC){1|C<3>}	120.6715	0.476	2	120.6715	0.226	2	121.5267	1.750	12	121.4570	2.109	41	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	2:2:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	S[5]-2:S[5]-2:N-3:	N(C[5]S[5]2)(CH3)2	C(NC[5]C)(H)3	C[5](S[5]C[5])2(NCC)	N(C[5]S[5]2)(CH3)2	C(NC[5]C)(H)3	C[5](S[5]C[5])2(NCC){1|N<2>,1|P<4>}	121.5515	0.120	2	121.5515	0.014	2	121.5515	0.014	2	121.4570	2.109	41	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	2:2:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	Se[5]-2:N[5]-2:N-3:	N(C[5]Se[5]N[5])(CH3)2	C(NC[5]C)(H)3	C[5](Se[5]In[5,5])(N[5]N[5,5])(NCC)	N(C[5]Se[5]N[5])(CH3)2	C(NC[5]C)(H)3	C[5](Se[5]In[5,5])(N[5]N[5,5])(NCC){2|Br<1>,1|C<3>,1|N<3>}	122.1350	2.732	2	122.1350	7.465	2	122.1350	7.465	2	121.4570	2.109	41	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	2:2:3:	C[5]-3:C[6]-4:C-4:	N-3:H-1:H-1:H-1:	S[5]-2:N[5]-2:N-3:	N(C[5]N[5]S[5])(C[6]C[6]2H)(CH3)	C(NC[5]C[6])(H)3	C[5](S[5]Ga[5,5])(N[5]N[5,5])(NC[6]C)	N(C[5]N[5]S[5])(C[6]C[6]2H)(CH3)	C(NC[5]C[6])(H)3	C[5](S[5]Ga[5,5])(N[5]N[5,5])(NC[6]C){2|Cl<1>,1|C<3>,1|N<3>}	121.8230	0.000	1	121.8230	0.000	1	121.8230	0.000	1	121.4570	2.109	41	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	2:4:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	O[5]-2:C[5]-4:N-3:	N(C[5]C[5]O[5])(CH3)2	C(NC[5]C)(H)3	C[5](O[5]Ge[5,5])(C[5]S[5]HH)(NCC)	N(C[5]C[5]O[5])(CH3)2	C(NC[5]C)(H)3	C[5](O[5]Ge[5,5])(C[5]S[5]HH)(NCC){1|C<4>,1|O<2>,1|S<2>}	121.2130	1.373	4	121.2130	1.884	4	120.9597	1.874	8	120.9597	1.874	8	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	2:4:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	O[5]-2:C[5]-4:N-3:	N(C[5]C[5]O[5])(CH3)2	C(NC[5]C)(H)3	C[5](O[5]Si[5,5])(C[5]S[5]HH)(NCC)	N(C[5]C[5]O[5])(CH3)2	C(NC[5]C)(H)3	C[5](O[5]Si[5,5])(C[5]S[5]HH)(NCC){1|C<4>,1|O<2>,1|S<2>}	120.7065	1.523	4	120.7065	2.319	4	120.9597	1.874	8	120.9597	1.874	8	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	3:2:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5]-3:S[5]-2:N-3:	N(C[5]C[5]S[5])(CC[6a]HH)(CH3)	C(NC[5]C)(H)3	C[5](C[5]C[5]N)(S[5]C[5])(NCC)	N(C[5]C[5]S[5])(CC[6a]HH)(CH3)	C(NC[5]C)(H)3	C[5](C[5]C[5]N)(S[5]C[5])(NCC){1|C<4>,1|H<1>,2|C<3>}	122.4960	0.301	2	122.4960	0.091	2	122.4960	0.091	2	121.0001	5.992	40	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	3:2:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5,5a]-3:N[5]-2:N-3:	N(C[5]N[5,5a]N[5])(CH3)2	C(NC[5]C)(H)3	C[5](N[5,5a]C[5a,6]N[5,5a])(N[5]S[5])(NCC)	N(C[5]N[5,5a]N[5])(CH3)2	C(NC[5]C)(H)3	C[5](N[5,5a]C[5a,6]N[5,5a])(N[5]S[5])(NCC){1|C<4>,2|C<3>,2|O<1>}	120.2230	3.841	2	120.2230	14.753	2	120.2230	14.753	2	121.0001	5.992	40	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	3:2:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:N-3:	N(C[5]N[5]2)(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[5,5]S)(N[5]C[5,5])(NCC)	N(C[5]N[5]2)(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[5,5]S)(N[5]C[5,5])(NCC){1|C<3>,1|C<4>,2|H<1>}	118.3870	3.205	2	118.3870	10.270	2	118.6840	7.633	6	121.0001	5.992	40	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	3:2:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:N-3:	N(C[5]N[5]2)(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[5]C)(N[5]P[5])(NCC)	N(C[5]N[5]2)(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[5]C)(N[5]P[5])(NCC){1|C<3>,1|C<4>,1|H<1>,1|W<6>}	117.0855	1.081	2	118.8325	9.210	4	118.6840	7.633	6	121.0001	5.992	40	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	3:2:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:N-3:	N(C[5]N[5]2)(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[5]C)(N[5]P[5])(NCC)	N(C[5]N[5]2)(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[5]C)(N[5]P[5])(NCC){1|H<1>,1|W<6>,2|C<4>}	120.5795	3.775	2	118.8325	9.210	4	118.6840	7.633	6	121.0001	5.992	40	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	3:2:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5]-3:O[5]-2:N-3:	N(C[5]N[5]O[5])(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(NCC)	N(C[5]N[5]O[5])(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(NCC){1|C<4>,1|H<1>,1|N<3>}	120.6517	1.403	4	120.9887	1.536	8	121.3555	1.429	14	121.0001	5.992	40	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	3:2:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5]-3:O[5]-2:N-3:	N(C[5]N[5]O[5])(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(NCC)	N(C[5]N[5]O[5])(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[5,5]Pt)(O[5]N[5,5])(NCC){1|O<2>,2|C<4>}	121.3257	1.146	4	120.9887	1.536	8	121.3555	1.429	14	121.0001	5.992	40	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	3:2:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5]-3:O[5]-2:N-3:	N(C[5]N[5]O[5])(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[5]Pt)(O[5]N[5])(NCC)	N(C[5]N[5]O[5])(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[5]Pt)(O[5]N[5])(NCC){1|C<3>,1|C<4>,1|H<1>}	121.8445	1.030	6	121.8445	1.062	6	121.3555	1.429	14	121.0001	5.992	40	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	3:2:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5]-3:S[5]-2:N-3:	N(C[5]N[5]S[5])(CC[6a]HH)(CH3)	C(NC[5]C)(H)3	C[5](N[5]C[6a]C[5])(S[5]C[5])(NCC)	N(C[5]N[5]S[5])(CC[6a]HH)(CH3)	C(NC[5]C)(H)3	C[5](N[5]C[6a]C[5])(S[5]C[5])(NCC){1|S<1>,3|C<3>}	124.7977	2.267	3	124.7977	5.139	3	124.7977	5.139	3	121.0001	5.992	40	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	3:2:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	P[5]-3:N[5]-2:N-3:	N(C[5]N[5]P[5])(CH3)2	C(NC[5]C)(H)3	C[5](P[5]C[5,5]N)(N[5]C[5,5])(NCC)	N(C[5]N[5]P[5])(CH3)2	C(NC[5]C)(H)3	C[5](P[5]C[5,5]N)(N[5]C[5,5])(NCC){1|Fe<10>,2|C<4>}	121.1825	1.688	12	121.1825	2.848	12	121.1825	2.848	12	121.0001	5.992	40	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	3:2:3:	C[5]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[5]-3:N[5]-2:N-3:	N(C[5]C[5]N[5])(SC[6a]OO)(CH3)	C(NC[5]S)(H)3	C[5](C[5]C[5,6]C[6a])(N[5]C[5])(NCS)	N(C[5]C[5]N[5])(SC[6a]OO)(CH3)	C(NC[5]S)(H)3	C[5](C[5]C[5,6]C[6a])(N[5]C[5])(NCS){5|C<3>}	114.9020	0.000	1	114.9020	0.000	1	114.9020	0.000	1	121.0001	5.992	40	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	3:3:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N(C[5]C[5]2)(CH3)2	C(NC[5]C)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(NCC)	N(C[5]C[5]2)(CH3)2	C(NC[5]C)(H)3	C[5](C[5]C[5]C)(C[5]N[5]O)(NCC){1|C<3>,1|O<1>}	122.4050	2.240	4	122.4050	5.016	4	122.4050	5.016	4	121.8564	5.513	18	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	3:3:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:N-3:	N(C[5]C[5]N[5])(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(NCC)	N(C[5]C[5]N[5])(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(NCC){1|S<1>,3|C<3>}	121.3600	3.300	6	121.3600	10.887	6	121.6814	6.975	12	121.8564	5.513	18	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	3:3:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:N-3:	N(C[5]C[5]N[5])(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[6a]Si[5])(C[5]C[5]H)(NCC)	N(C[5]C[5]N[5])(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[6a]Si[5])(C[5]C[5]H)(NCC){1|N<2>,1|N<3>,1|P<3>,2|C<3>}	121.8935	2.549	2	122.0028	4.209	6	121.6814	6.975	12	121.8564	5.513	18	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	3:3:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:N-3:	N(C[5]C[5]N[5])(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[6a]Si[5])(C[5]C[5]H)(NCC)	N(C[5]C[5]N[5])(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[6a]Si[5])(C[5]C[5]H)(NCC){1|N<2>,2|C<3>,2|N<3>}	122.5640	2.765	2	122.0028	4.209	6	121.6814	6.975	12	121.8564	5.513	18	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	3:3:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:N-3:	N(C[5]C[5]N[5])(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[6a]Si[5])(C[5]C[5]H)(NCC)	N(C[5]C[5]N[5])(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[6a]Si[5])(C[5]C[5]H)(NCC){1|Si<4>,1|N<2>,1|N<3>,2|C<3>}	121.5510	2.417	2	122.0028	4.209	6	121.6814	6.975	12	121.8564	5.513	18	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	3:3:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N(C[5]N[5]2)(CH3)2	C(NC[5]C)(H)3	C[5](N[5]B[5]C[6])2(NCC)	N(C[5]N[5]2)(CH3)2	C(NC[5]C)(H)3	C[5](N[5]B[5]C[6])2(NCC){2|Cl<1>,1|N<3>,2|H<1>,4|C<4>}	121.8090	0.621	2	121.8090	0.385	2	121.8090	0.385	2	121.8564	5.513	18	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	3:4:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-4:N-3:	N(C[5]C[5,5]C[5])(CH3)2	C(NC[5]C)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(NCC)	N(C[5]C[5,5]C[5])(CH3)2	C(NC[5]C)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(NCC){1|B<4>,1|H<1>,2|C<3>,2|C<4>}	122.6075	0.149	2	121.8424	1.287	8	121.8424	1.287	8	121.0571	4.677	15	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	3:4:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-4:N-3:	N(C[5]C[5,5]C[5])(CH3)2	C(NC[5]C)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(NCC)	N(C[5]C[5,5]C[5])(CH3)2	C(NC[5]C)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(NCC){1|C<4>,2|C<3>,2|H<1>}	121.3458	1.408	4	121.8424	1.287	8	121.8424	1.287	8	121.0571	4.677	15	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	3:4:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5,5]-3:C[5]-4:N-3:	N(C[5]C[5,5]C[5])(CH3)2	C(NC[5]C)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(NCC)	N(C[5]C[5,5]C[5])(CH3)2	C(NC[5]C)(H)3	C[5](C[5,5]C[5,5]C[5])(C[5]C[5]HH)(NCC){1|H<1>,2|C<3>,2|C<4>}	122.0705	0.882	2	121.8424	1.287	8	121.8424	1.287	8	121.0571	4.677	15	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	3:4:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5]-3:C[5]-4:N-3:	N(C[5]C[5]N[5])(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(NCC)	N(C[5]C[5]N[5])(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[6a]N[5])(C[5]C[5]HH)(NCC){1|N<3>,3|C<3>}	121.8785	2.429	4	121.8785	5.902	4	121.8785	5.902	4	121.0571	4.677	15	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	3:4:3:	C[5]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[5]-3:C[5]-4:N-3:	N(C[5]C[5]2)(SC[6a]OO)(CH3)	C(NC[5]S)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(NCS)	N(C[5]C[5]2)(SC[6a]OO)(CH3)	C(NC[5]S)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]CH)(NCS){2|C<3>,4|H<1>}	118.5000	0.000	1	118.5000	0.000	1	117.8680	0.307	3	121.0571	4.677	15	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	3:4:3:	C[5]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[5]-3:C[5]-4:N-3:	N(C[5]C[5]2)(SC[6a]OO)(CH3)	C(NC[5]S)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]HO)(NCS)	N(C[5]C[5]2)(SC[6a]OO)(CH3)	C(NC[5]S)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]HO)(NCS){2|C<3>,4|H<1>}	117.6390	0.000	1	117.6390	0.000	1	117.8680	0.307	3	121.0571	4.677	15	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	3:4:3:	C[5]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[5]-3:C[5]-4:N-3:	N(C[5]C[5]2)(SC[6a]OO)(CH3)	C(NC[5]S)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]HS)(NCS)	N(C[5]C[5]2)(SC[6a]OO)(CH3)	C(NC[5]S)(H)3	C[5](C[5]C[6a]C[5])(C[5]C[5]HS)(NCS){2|C<3>,4|H<1>}	117.4650	0.000	1	117.4650	0.000	1	117.8680	0.307	3	121.0571	4.677	15	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	4:2:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5]-4:O[5]-2:N-3:	N(C[5]C[5]O[5])(CH3)2	C(NC[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(NCC)	N(C[5]C[5]O[5])(CH3)2	C(NC[5]C)(H)3	C[5](C[5]O[5]CC)(O[5]B[5])(NCC){2|F<1>}	122.2995	2.850	2	122.2995	8.124	2	122.2995	8.124	2	121.3722	7.381	9	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	4:2:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	P[5]-4:N[5]-2:N-3:	N(C[5]N[5]P[5])(CCHH)(CH3)	C(NC[5]C)(H)3	C[5](P[5]C[6a]Se[5]Se)(N[5]P[5])(NCC)	N(C[5]N[5]P[5])(CCHH)(CH3)	C(NC[5]C)(H)3	C[5](P[5]C[6a]Se[5]Se)(N[5]P[5])(NCC){1|Se<1>,3|C<3>}	125.1100	0.000	1	125.1100	0.000	1	121.1073	8.119	7	121.3722	7.381	9	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	4:2:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	P[5]-4:N[5]-2:N-3:	N(C[5]N[5]P[5])(CH3)2	C(NC[5]C)(H)3	C[5](P[5]C[5,5]SeN)(N[5]C[5,5])(NCC)	N(C[5]N[5]P[5])(CH3)2	C(NC[5]C)(H)3	C[5](P[5]C[5,5]SeN)(N[5]C[5,5])(NCC){1|Fe<10>,2|C<4>}	120.4402	2.450	6	120.4402	6.005	6	121.1073	8.119	7	121.3722	7.381	9	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	4:3:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[4,5]-4:C[5]-3:N-3:	N(C[5]C[4,5]C[5])(CH3)2	C(NC[5]C)(H)3	C[5](C[4,5]Ge[4,5]C[4]N)(C[5]C[5]N)(NCC)	N(C[5]C[4,5]C[5])(CH3)2	C(NC[5]C)(H)3	C[5](C[4,5]Ge[4,5]C[4]N)(C[5]C[5]N)(NCC){1|C<3>,1|C<4>,1|W<9>,2|N<3>}	120.9145	3.730	2	120.9145	13.913	2	120.9145	13.913	2	119.4579	9.069	35	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	4:3:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:N-3:	N(C[5]C[5,5]C[5])(CH3)2	C(NC[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]H)(NCC)	N(C[5]C[5,5]C[5])(CH3)2	C(NC[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]H)(NCC){2|C<4>,3|H<1>}	118.7600	3.752	2	118.7993	10.935	4	118.7993	10.935	4	119.4579	9.069	35	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	4:3:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:N-3:	N(C[5]C[5,5]C[5])(CH3)2	C(NC[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]H)(NCC)	N(C[5]C[5,5]C[5])(CH3)2	C(NC[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]H)(NCC){2|H<1>,3|C<4>}	118.8385	4.327	2	118.7993	10.935	4	118.7993	10.935	4	119.4579	9.069	35	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	4:3:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:N-3:	N(C[5]C[5]2)(CH3)2	C(NC[5]C)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NCC)	N(C[5]C[5]2)(CH3)2	C(NC[5]C)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NCC){2|C<3>}	122.0025	2.418	2	122.0025	5.845	2	118.9312	10.265	19	119.4579	9.069	35	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	4:3:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:N-3:	N(C[5]C[5]2)(CH3)2	C(NC[5]C)(H)3	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]H)(NCC)	N(C[5]C[5]2)(CH3)2	C(NC[5]C)(H)3	C[5](C[5]C[5,6a]HP)(C[5]C[5,6a]H)(NCC){2|C<3>}	115.5885	0.797	8	115.5885	0.634	8	118.9312	10.265	19	119.4579	9.069	35	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	4:3:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:N-3:	N(C[5]C[5]2)(CH3)2	C(NC[5]C)(H)3	C[5](C[5]Ge[4,5]CN)(C[5]C[4,5]N)(NCC)	N(C[5]C[5]2)(CH3)2	C(NC[5]C)(H)3	C[5](C[5]Ge[4,5]CN)(C[5]C[4,5]N)(NCC){1|N<3>,1|W<9>,2|C<3>}	122.0465	2.331	2	122.0465	5.435	2	118.9312	10.265	19	119.4579	9.069	35	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	4:3:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:N-3:	N(C[5]C[5]2)(CH3)2	C(NC[5]C)(H)3	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCC)	N(C[5]C[5]2)(CH3)2	C(NC[5]C)(H)3	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCC){1|O<1>}	122.3180	1.003	2	122.3180	1.005	2	118.9312	10.265	19	119.4579	9.069	35	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	4:3:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:N-3:	N(C[5]C[5]2)(CIrHH)(CH3)	C(NC[5]C)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NCC)	N(C[5]C[5]2)(CIrHH)(CH3)	C(NC[5]C)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NCC){2|C<3>}	122.1440	0.000	1	122.1440	0.000	1	118.9312	10.265	19	119.4579	9.069	35	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	4:3:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:N-3:	N(C[5]C[5]2)(CRuHH)(CH3)	C(NC[5]C)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NCC)	N(C[5]C[5]2)(CRuHH)(CH3)	C(NC[5]C)(H)3	C[5](C[5]C[5,6a]HH)(C[5]C[5,6a]P)(NCC){2|C<3>}	120.0267	0.877	4	120.0267	0.769	4	118.9312	10.265	19	119.4579	9.069	35	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	4:3:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	Si[5]-4:C[5]-3:N-3:	N(C[5]Si[5]C[5])(CH3)2	C(NC[5]C)(H)3	C[5](Si[5]N[5]NN)(C[5]C[5]H)(NCC)	N(C[5]Si[5]C[5])(CH3)2	C(NC[5]C)(H)3	C[5](Si[5]N[5]NN)(C[5]C[5]H)(NCC){1|C<3>,1|N<3>}	122.3435	1.981	2	122.3435	3.923	2	122.0732	1.444	6	119.4579	9.069	35	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	4:3:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	Si[5]-4:C[5]-3:N-3:	N(C[5]Si[5]C[5])(CH3)2	C(NC[5]C)(H)3	C[5](Si[5]N[5]NP)(C[5]C[5]H)(NCC)	N(C[5]Si[5]C[5])(CH3)2	C(NC[5]C)(H)3	C[5](Si[5]N[5]NP)(C[5]C[5]H)(NCC){1|C<3>,1|N<3>}	122.2180	1.448	2	122.2180	2.097	2	122.0732	1.444	6	119.4579	9.069	35	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	4:3:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	Si[5]-4:C[5]-3:N-3:	N(C[5]Si[5]C[5])(CH3)2	C(NC[5]C)(H)3	C[5](Si[5]N[5]SiN)(C[5]C[5]H)(NCC)	N(C[5]Si[5]C[5])(CH3)2	C(NC[5]C)(H)3	C[5](Si[5]N[5]SiN)(C[5]C[5]H)(NCC){1|C<3>,1|N<3>}	121.6580	0.816	2	121.6580	0.666	2	122.0732	1.444	6	119.4579	9.069	35	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	4:3:3:	C[5]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[5,6]-4:C[5]-3:N-3:	N(C[5]C[5,6]C[5])(SCOO)(CH3)	C(NC[5]S)(H)3	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(NCS)	N(C[5]C[5,6]C[5])(SCOO)(CH3)	C(NC[5]S)(H)3	C[5](C[5,6]C[5]C[6]2)(C[5]C[5]C)(NCS){1|O<1>,2|H<1>,3|C<3>}	119.2310	0.000	1	119.2310	0.000	1	119.2310	0.000	1	119.4579	9.069	35	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	4:3:3:	C[5]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:N-3:	N(C[5]C[5]2)(SC[6a]OO)(CH3)	C(NC[5]S)(H)3	C[5](C[5]C[5a]C[5]H)(C[5]C[6a]C[5])(NCS)	N(C[5]C[5]2)(SC[6a]OO)(CH3)	C(NC[5]S)(H)3	C[5](C[5]C[5a]C[5]H)(C[5]C[6a]C[5])(NCS){4|C<3>,4|H<1>}	118.3660	1.517	2	118.3660	2.303	2	117.5460	3.169	3	119.4579	9.069	35	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	4:3:3:	C[5]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:N-3:	N(C[5]C[5]2)(SC[6a]OO)(CH3)	C(NC[5]S)(H)3	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(NCS)	N(C[5]C[5]2)(SC[6a]OO)(CH3)	C(NC[5]S)(H)3	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(NCS){2|C<3>,4|H<1>}	115.9060	0.000	1	115.9060	0.000	1	117.5460	3.169	3	119.4579	9.069	35	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:3:1:1:	3:2:3:	C[5]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[5]-3:S[5]-2:N-3:	N(C[5]C[5]S[5])(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[5](C[5]C[5]N)(S[5]C[5])(NCC)	N(C[5]C[5]S[5])(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[5](C[5]C[5]N)(S[5]C[5])(NCC){1|C<4>,1|H<1>,2|C<3>}	121.1835	0.071	2	121.1835	0.005	2	121.1835	0.005	2	118.8622	4.945	5	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:3:1:1:	3:2:3:	C[5]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	N[5]-3:S[5]-2:N-3:	N(C[5]N[5]S[5])(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[5](N[5]C[6a]C[5])(S[5]C[5])(NCC)	N(C[5]N[5]S[5])(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[5](N[5]C[6a]C[5])(S[5]C[5])(NCC){1|S<1>,3|C<3>}	117.3147	0.952	3	117.3147	0.906	3	117.3147	0.906	3	118.8622	4.945	5	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:3:1:1:	4:3:3:	C[5]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	N(C[5]C[5]2)(CC[6a]2H)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(NCC)	N(C[5]C[5]2)(CC[6a]2H)(CC[6a]HH)	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[5](C[5]O[5]CH)(C[5]C[5]C)(NCC){1|O<1>}	119.6238	1.162	5	119.6238	1.350	5	120.4769	3.130	7	120.8609	4.274	12	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:3:1:1:	4:3:3:	C[5]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	N(C[5]C[5]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NCC)	N(C[5]C[5]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(NC[5]C)(H)2	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NCC){1|O<1>}	122.6095	0.803	2	122.6095	0.644	2	120.4769	3.130	7	120.8609	4.274	12	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:3:1:1:	4:3:3:	C[5]-3:C-4:C-4:	N-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	N(C[5]C[5]2)(CCHH)2	C(NC[5]C)(CCH)(H)2	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NCC)	N(C[5]C[5]2)(CCHH)2	C(NC[5]C)(CCH)(H)2	C[5](C[5]O[5]HO)(C[5]C[5]Br)(NCC){1|O<1>}	122.4795	1.602	2	122.4795	2.565	2	122.3965	1.945	4	120.8609	4.274	12	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:3:1:1:	4:3:3:	C[5]-3:C-4:C-4:	N-3:C-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	N(C[5]C[5]2)(CCHH)2	C(NC[5]C)(CCH)(H)2	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCC)	N(C[5]C[5]2)(CCHH)2	C(NC[5]C)(CCH)(H)2	C[5](C[5]O[5]HO)(C[5]C[5]Cl)(NCC){1|O<1>}	122.3135	1.801	2	122.3135	3.244	2	122.3965	1.945	4	120.8609	4.274	12	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:3:1:1:	4:3:3:	C[5]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	N(C[5]C[5]2)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[5]S)(H)2	C[5](C[5]C[5a]C[5]H)(C[5]C[6a]C[5])(NCS)	N(C[5]C[5]2)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[5]S)(H)2	C[5](C[5]C[5a]C[5]H)(C[5]C[6a]C[5])(NCS){4|C<3>,4|H<1>}	117.4070	0.000	1	117.4070	0.000	1	117.4070	0.000	1	120.8609	4.274	12	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:3:3:1:	4:3:3:	C[5]-3:C-4:C-4:	C[6a]-3:C[6a]-3:N-3:H-1:	C[5]-4:C[5]-3:N-3:	N(C[5]C[5]2)(CC[6a]2H)(CC[6a]HH)	C(C[6a]C[6a]2)2(NC[5]C)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(NCC)	N(C[5]C[5]2)(CC[6a]2H)(CC[6a]HH)	C(C[6a]C[6a]2)2(NC[5]C)(H)	C[5](C[5]O[5]CH)(C[5]C[5]C)(NCC){1|O<1>}	127.3602	0.742	5	127.3602	0.551	5	127.3602	0.551	5	127.3602	0.551	5	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:4:1:1:	2:2:3:	C[5]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[5]-2:O[5]-2:N-3:	N(C[5]N[5]O[5])(CCHH)2	C(NC[5]C)(CH3)(H)2	C[5](N[5]C[5])(O[5]N[5])(NCC)	N(C[5]N[5]O[5])(CCHH)2	C(NC[5]C)(CH3)(H)2	C[5](N[5]C[5])(O[5]N[5])(NCC){1|C<4>,2|C<3>}	120.0475	2.652	2	120.0475	7.035	2	120.0475	7.035	2	120.0475	7.035	2	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:4:1:1:	3:2:3:	C[5]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[5]-3:O[5]-2:N-3:	N(C[5]N[5]O[5])(CCHH)2	C(NC[5]C)(CH3)(H)2	C[5](N[5]C[5]Pt)(O[5]N[5])(NCC)	N(C[5]N[5]O[5])(CCHH)2	C(NC[5]C)(CH3)(H)2	C[5](N[5]C[5]Pt)(O[5]N[5])(NCC){3|C<3>}	121.1585	2.470	2	121.1585	6.101	2	121.1585	6.101	2	121.1585	6.101	2	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:4:1:1:	3:3:3:	C[5]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N(C[5]N[5]2)(CCHH)2	C(NC[5]C)(CH3)(H)2	C[5](N[5]C[5]C)2(NCC)	N(C[5]N[5]2)(CCHH)2	C(NC[5]C)(CH3)(H)2	C[5](N[5]C[5]C)2(NCC){4|H<1>}	120.8570	0.000	1	120.8570	0.000	1	120.8570	0.000	1	120.8570	0.000	1	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:4:1:1:	4:2:3:	C[5]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-2:N-3:	N(C[5]C[5,5]N[5])(CCHH)2	C(NC[5]C)(CH3)(H)2	C[5](C[5,5]C[5,5]C[6a]N[5])(N[5]S[5])(NCC)	N(C[5]C[5,5]N[5])(CCHH)2	C(NC[5]C)(CH3)(H)2	C[5](C[5,5]C[5,5]C[6a]N[5])(N[5]S[5])(NCC){1|N<2>,1|N<3>,1|S<3>,2|C<3>,2|O<1>}	121.7420	4.657	2	121.7420	21.688	2	121.8534	12.593	10	121.7529	10.028	14	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:4:1:1:	4:2:3:	C[5]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-2:N-3:	N(C[5]C[5,5]N[5])(CCHH)2	C(NC[5]C)(CH3)(H)2	C[5](C[5,5]C[5,5]C[6a]O[5])(N[5]S[5])(NCC)	N(C[5]C[5,5]N[5])(CCHH)2	C(NC[5]C)(CH3)(H)2	C[5](C[5,5]C[5,5]C[6a]O[5])(N[5]S[5])(NCC){1|H<1>,1|N<2>,2|O<1>,3|C<3>}	121.6725	4.704	2	121.8812	13.089	8	121.8534	12.593	10	121.7529	10.028	14	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:4:1:1:	4:2:3:	C[5]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-2:N-3:	N(C[5]C[5,5]N[5])(CCHH)2	C(NC[5]C)(CH3)(H)2	C[5](C[5,5]C[5,5]C[6a]O[5])(N[5]S[5])(NCC)	N(C[5]C[5,5]N[5])(CCHH)2	C(NC[5]C)(CH3)(H)2	C[5](C[5,5]C[5,5]C[6a]O[5])(N[5]S[5])(NCC){1|N<2>,1|S<3>,2|O<1>,3|C<3>}	121.8877	4.121	4	121.8812	13.089	8	121.8534	12.593	10	121.7529	10.028	14	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:4:1:1:	4:2:3:	C[5]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[5,5]-4:N[5]-2:N-3:	N(C[5]C[5,5]N[5])(CCHH)2	C(NC[5]C)(CH3)(H)2	C[5](C[5,5]C[5,5]C[6a]O[5])(N[5]S[5])(NCC)	N(C[5]C[5,5]N[5])(CCHH)2	C(NC[5]C)(CH3)(H)2	C[5](C[5,5]C[5,5]C[6a]O[5])(N[5]S[5])(NCC){1|N<2>,1|S<4>,2|O<1>,3|C<3>}	122.0770	4.286	2	121.8812	13.089	8	121.8534	12.593	10	121.7529	10.028	14	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:4:1:1:	4:2:3:	C[5]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[5]-4:O[5]-2:N-3:	N(C[5]C[5]O[5])(CCHH)2	C(NC[5]C)(CH3)(H)2	C[5](C[5]C[5]RuH)(O[5]C[5])(NCC)	N(C[5]C[5]O[5])(CCHH)2	C(NC[5]C)(CH3)(H)2	C[5](C[5]C[5]RuH)(O[5]C[5])(NCC){3|C<4>}	121.0530	1.891	2	121.0530	3.575	2	121.5018	5.556	4	121.7529	10.028	14	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:4:1:1:	4:2:3:	C[5]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[5]-4:O[5]-2:N-3:	N(C[5]C[5]O[5])(CCHH)2	C(NC[5]C)(CH3)(H)2	C[5](C[5]O[5]CC)(O[5]B[5])(NCC)	N(C[5]C[5]O[5])(CCHH)2	C(NC[5]C)(CH3)(H)2	C[5](C[5]O[5]CC)(O[5]B[5])(NCC){2|F<1>}	121.9505	3.505	2	121.9505	12.286	2	121.5018	5.556	4	121.7529	10.028	14	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:4:4:1:	2:2:3:	C[5]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	N[5]-2:N[5]-2:N-3:	N(C[5]N[5]2)(CCCH)2	C(NC[5]C)(CH3)2(H)	C[5](N[5]N[5])2(NCC)	N(C[5]N[5]2)(CCCH)2	C(NC[5]C)(CH3)2(H)	C[5](N[5]N[5])2(NCC){2|Cu<3>}	118.6745	2.249	2	118.6745	5.059	2	118.6745	5.059	2	120.0683	2.209	8	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:4:4:1:	2:2:3:	C[5]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	O[5]-2:O[5]-2:N-3:	N(C[5]O[5]2)(CCCH)2	C(NC[5]C)(CH3)2(H)	C[5](O[5]B[5,5])(O[5]C[5])(NCC)	N(C[5]O[5]2)(CCCH)2	C(NC[5]C)(CH3)2(H)	C[5](O[5]B[5,5])(O[5]C[5])(NCC){1|C<4>,1|H<1>,2|O<2>}	120.5837	1.254	4	120.5837	1.573	4	120.5328	1.044	6	120.0683	2.209	8	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:4:4:1:	2:2:3:	C[5]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	O[5]-2:O[5]-2:N-3:	N(C[5]O[5]2)(CCCH)2	C(NC[5]C)(CH3)2(H)	C[5](O[5]C[5])2(NCC)	N(C[5]O[5]2)(CCCH)2	C(NC[5]C)(CH3)2(H)	C[5](O[5]C[5])2(NCC){1|C<3>,2|H<1>}	120.4310	0.686	2	120.4310	0.470	2	120.5328	1.044	6	120.0683	2.209	8	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:4:4:1:	4:3:3:	C[5]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	P[5]-4:C[5]-3:N-3:	N(C[5]C[5]P[5])(CCCH)2	C(NC[5]C)(CH3)2(H)	C[5](P[5]C[5,6a]C[6a]W)(C[5]C[5,6a]H)(NCC)	N(C[5]C[5]P[5])(CCCH)2	C(NC[5]C)(CH3)2(H)	C[5](P[5]C[5,6a]C[6a]W)(C[5]C[5,6a]H)(NCC){4|C<3>}	121.1275	1.087	2	121.1275	1.181	2	121.1275	1.181	2	121.1275	1.181	2	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	3:4:4:4:	2:2:3:	C[5]-3:Si-4:C-4:	N-3:C-4:C-4:C-4:	N[5]-2:P[5]-2:N-3:	N(C[5]N[5]P[5])(SiSi3)(CC3)	C(NC[5]Si)(CH3)3	C[5](N[5]P[5])(P[5]N[5])(NSiC)	N(C[5]N[5]P[5])(SiSi3)(CC3)	C(NC[5]Si)(CH3)3	C[5](N[5]P[5])(P[5]N[5])(NSiC){1|Si<4>}	118.6370	0.000	1	118.6370	0.000	1	118.6370	0.000	1	118.6370	0.000	1	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP2_SP2_SP3	N	C	C[5]	3:4:4:	4:3:1:1:	4:2:3:	C[5]-3:C-4:C-4:	C-4:N-3:H-1:H-1:	P[5]-4:N[5]-2:N-3:	N(C[5]N[5]P[5])(CCHH)(CH3)	C(CC[6a]HH)(NC[5]C)(H)2	C[5](P[5]C[6a]Se[5]Se)(N[5]P[5])(NCC)	N(C[5]N[5]P[5])(CCHH)(CH3)	C(CC[6a]HH)(NC[5]C)(H)2	C[5](P[5]C[6a]Se[5]Se)(N[5]P[5])(NCC){1|Se<1>,3|C<3>}	118.9810	0.000	1	118.9810	0.000	1	118.9810	0.000	1	118.9810	0.000	1	122.0054	10.901	351	122.0054	10.901	351
956	490	818	0:SP3_SP2_SP3	N	C	C[5,6]	3:4:4:	3:3:1:1:	4:3:3:	C[5,6]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	C[5,5,6]-4:C[5,6]-3:N-3:	N(C[5,6]C[5,5,6]C[5,6])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[5,6]S)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(NCS)	N(C[5,6]C[5,5,6]C[5,6])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[5,6]S)(H)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]C)(NCS){1|C<4>,1|O<1>,3|H<1>}	115.9440	0.453	2	115.9440	0.205	2	115.9440	0.205	2	115.9440	0.205	2	115.9440	0.205	2	117.3466	5.862	40
956	490	818	0:SP3_SP2_SP3	N	C	C[5]	3:3:4:	3:1:1:1:	3:3:3:	C[5]-3:N-3:C-4:	N-3:H-1:H-1:H-1:	N[5]-3:N[5]-3:N-3:	N(C[5]N[5]2)(NMnC)(CH3)	C(NC[5]N)(H)3	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(NCN)	N(C[5]N[5]2)(NMnC)(CH3)	C(NC[5]N)(H)3	C[5](N[5]C[5,6a]Mn)(N[5]C[5,6a]H)(NCN){2|C<3>}	120.8820	0.000	1	120.8820	0.000	1	120.8820	0.000	1	120.8820	0.000	1	117.4204	6.061	38	117.3466	5.862	40
956	490	818	0:SP3_SP2_SP3	N	C	C[5]	3:4:1:	3:1:1:1:	2:2:3:	C[5]-3:C-4:H-1:	N-3:H-1:H-1:H-1:	S[5]-2:N[5]-2:N-3:	N(C[5]N[5]S[5])(CH3)(H)	C(NC[5]H)(H)3	C[5](S[5]In[5,5])(N[5]N[5,5])(NCH)	N(C[5]N[5]S[5])(CH3)(H)	C(NC[5]H)(H)3	C[5](S[5]In[5,5])(N[5]N[5,5])(NCH){2|Cl<1>,1|C<3>,1|N<3>,1|S<2>}	122.0610	0.000	1	122.0610	0.000	1	122.0610	0.000	1	122.0610	0.000	1	117.4204	6.061	38	117.3466	5.862	40
956	490	818	0:SP3_SP2_SP3	N	C	C[5]	3:4:1:	3:4:4:1:	3:2:3:	C[5]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	N[5]-3:N[5]-2:N-3:	N(C[5]N[5]2)(CCCH)(H)	C(NC[5]H)(CH3)2(H)	C[5](N[5]C[6a]C[5])(N[5]C[5])(NCH)	N(C[5]N[5]2)(CCCH)(H)	C(NC[5]H)(CH3)2(H)	C[5](N[5]C[6a]C[5])(N[5]C[5])(NCH){1|O<1>,2|C<3>,2|H<1>}	119.9987	0.314	3	119.9987	0.099	3	119.9987	0.099	3	119.9987	0.099	3	117.4204	6.061	38	117.3466	5.862	40
956	490	818	0:SP3_SP2_SP3	N	C	C[5]	3:4:1:	3:4:4:1:	3:3:3:	C[5]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	N[5]-3:C[5]-3:N-3:	N(C[5]C[5]N[5])(CCCH)(H)	C(NC[5]H)(CH3)2(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(NCH)	N(C[5]C[5]N[5])(CCCH)(H)	C(NC[5]H)(CH3)2(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(NCH){1|H<1>,3|C<3>}	117.2590	0.000	1	117.2590	0.000	1	117.2590	0.000	1	119.5685	10.668	2	117.4204	6.061	38	117.3466	5.862	40
956	490	818	0:SP3_SP2_SP3	N	C	C[5]	3:4:1:	3:4:4:1:	3:3:3:	C[5]-3:C-4:H-1:	N-3:P-4:P-4:H-1:	N[5]-3:N[5]-3:N-3:	N(C[5]N[5]2)(CHPP)(H)	C(NC[5]H)(PO3)2(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(NCH)	N(C[5]N[5]2)(CHPP)(H)	C(NC[5]H)(PO3)2(H)	C[5](N[5]C[6a]C[5])(N[5]C[5]H)(NCH){2|C<3>,2|H<1>}	121.8780	0.000	1	121.8780	0.000	1	121.8780	0.000	1	119.5685	10.668	2	117.4204	6.061	38	117.3466	5.862	40
956	490	818	0:SP3_SP2_SP3	N	C	C[5]	3:4:1:	3:4:4:4:	3:3:3:	C[5]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	N[5]-3:C[5]-3:N-3:	N(C[5]C[5]N[5])(CC3)(H)	C(NC[5]H)(CH3)3	C[5](N[5]N[5]Fe)(C[5]C[5]H)(NCH)	N(C[5]C[5]N[5])(CC3)(H)	C(NC[5]H)(CH3)3	C[5](N[5]N[5]Fe)(C[5]C[5]H)(NCH){1|Fe<6>,1|H<1>}	118.4950	1.882	3	118.4950	3.543	3	118.4950	3.543	3	118.4950	3.543	3	117.4204	6.061	38	117.3466	5.862	40
956	490	818	0:SP3_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	3:2:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:N-3:	N(C[5]N[5]2)(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[5,6]S)(N[5]C[5,6])(NCC)	N(C[5]N[5]2)(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[5,6]S)(N[5]C[5,6])(NCC){1|H<1>,3|C<4>}	115.8465	3.505	2	115.8465	12.286	2	116.1097	6.071	6	116.1097	6.071	6	117.4204	6.061	38	117.3466	5.862	40
956	490	818	0:SP3_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	3:2:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:N-3:	N(C[5]N[5]2)(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[5]S)(N[5]C[5])(NCC)	N(C[5]N[5]2)(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[5]S)(N[5]C[5])(NCC){1|H<1>,3|C<4>}	115.3835	2.382	2	116.2412	5.954	4	116.1097	6.071	6	116.1097	6.071	6	117.4204	6.061	38	117.3466	5.862	40
956	490	818	0:SP3_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	3:2:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5]-3:N[5]-2:N-3:	N(C[5]N[5]2)(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[5]S)(N[5]C[5])(NCC)	N(C[5]N[5]2)(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[5]S)(N[5]C[5])(NCC){2|C<3>,2|H<1>}	117.0990	3.041	2	116.2412	5.954	4	116.1097	6.071	6	116.1097	6.071	6	117.4204	6.061	38	117.3466	5.862	40
956	490	818	0:SP3_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	3:3:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[5]-3:C[5]-3:N-3:	N(C[5]C[5]N[5])(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(NCC)	N(C[5]C[5]N[5])(CH3)2	C(NC[5]C)(H)3	C[5](N[5]C[6a]C[5])(C[5]N[5]N)(NCC){1|S<1>,3|C<3>}	113.0030	2.164	2	113.0030	4.682	2	113.0030	4.682	2	114.0013	5.331	3	117.4204	6.061	38	117.3466	5.862	40
956	490	818	0:SP3_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	3:3:3:	C[5]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[5,6a]-3:C[5]-3:N-3:	N(C[5]C[5,6a]C[5])(SC[6a]OO)(CH3)	C(NC[5]S)(H)3	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]H)(NCS)	N(C[5]C[5,6a]C[5])(SC[6a]OO)(CH3)	C(NC[5]S)(H)3	C[5](C[5,6a]C[6a,6a]C[5,6a])(C[5]C[5]H)(NCS){2|H<1>,3|C<3>}	115.9980	0.000	1	115.9980	0.000	1	115.9980	0.000	1	114.0013	5.331	3	117.4204	6.061	38	117.3466	5.862	40
956	490	818	0:SP3_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	4:3:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5,5]-4:C[5]-3:N-3:	N(C[5]C[5,5]C[5])(CH3)2	C(NC[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]H)(NCC)	N(C[5]C[5,5]C[5])(CH3)2	C(NC[5]C)(H)3	C[5](C[5,5]C[5,5]C[5]Zr)(C[5]C[5]H)(NCC){1|H<1>,4|C<4>}	116.8162	1.775	4	116.8162	3.150	4	116.8162	3.150	4	117.0487	3.474	11	117.4204	6.061	38	117.3466	5.862	40
956	490	818	0:SP3_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	4:3:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:N-3:	N(C[5]C[5]2)(CH3)2	C(NC[5]C)(H)3	C[5](C[5]C[5,6a]IrP)(C[5]C[5,6a]H)(NCC)	N(C[5]C[5]2)(CH3)2	C(NC[5]C)(H)3	C[5](C[5]C[5,6a]IrP)(C[5]C[5,6a]H)(NCC){2|C<3>}	117.6820	2.891	2	117.6820	8.356	2	117.4520	4.376	6	117.0487	3.474	11	117.4204	6.061	38	117.3466	5.862	40
956	490	818	0:SP3_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	4:3:3:	C[5]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:N-3:	N(C[5]C[5]2)(CH3)2	C(NC[5]C)(H)3	C[5](C[5]C[5,6a]RhP)(C[5]C[5,6a]H)(NCC)	N(C[5]C[5]2)(CH3)2	C(NC[5]C)(H)3	C[5](C[5]C[5,6a]RhP)(C[5]C[5,6a]H)(NCC){2|C<3>}	117.3370	2.111	4	117.3370	4.455	4	117.4520	4.376	6	117.0487	3.474	11	117.4204	6.061	38	117.3466	5.862	40
956	490	818	0:SP3_SP2_SP3	N	C	C[5]	3:4:4:	3:1:1:1:	4:3:3:	C[5]-3:S-4:C-4:	N-3:H-1:H-1:H-1:	C[5]-4:C[5]-3:N-3:	N(C[5]C[5]2)(SC[6a]OO)(CH3)	C(NC[5]S)(H)3	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(NCS)	N(C[5]C[5]2)(SC[6a]OO)(CH3)	C(NC[5]S)(H)3	C[5](C[5]C[6a]C[5]O)(C[5]C[5]H)(NCS){2|C<3>,4|H<1>}	115.5590	0.000	1	115.5590	0.000	1	115.5590	0.000	1	117.0487	3.474	11	117.4204	6.061	38	117.3466	5.862	40
956	490	818	0:SP3_SP2_SP3	N	C	C[5]	3:4:4:	3:3:1:1:	3:2:3:	C[5]-3:C-4:C-4:	N-3:C-3:H-1:H-1:	C[5]-3:N[5]-2:N-3:	N(C[5]C[5]N[5])(CCHH)2	C(NC[5]C)(CCH)(H)2	C[5](C[5]C[6]S[5])(N[5]S[5])(NCC)	N(C[5]C[5]N[5])(CCHH)2	C(NC[5]C)(CCH)(H)2	C[5](C[5]C[6]S[5])(N[5]S[5])(NCC){2|C<3>}	118.0315	1.942	2	118.0315	3.773	2	118.0315	3.773	2	118.0315	3.773	2	117.4204	6.061	38	117.3466	5.862	40
956	490	818	0:SP3_SP2_SP3	N	C	C[5]	3:4:4:	3:3:1:1:	3:3:3:	C[5]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N(C[5]C[5]2)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[5]S)(H)2	C[5](C[5]C[5,5]C)(C[5]C[5,5]H)(NCS)	N(C[5]C[5]2)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[5]S)(H)2	C[5](C[5]C[5,5]C)(C[5]C[5,5]H)(NCS){1|H<1>,1|O<2>,2|C<4>}	115.4670	0.000	1	115.4670	0.000	1	115.4670	0.000	1	115.4670	0.000	1	117.4204	6.061	38	117.3466	5.862	40
956	490	818	0:SP3_SP2_SP3	N	C	C[5]	3:4:4:	3:3:1:1:	4:3:3:	C[5]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	C[4,5]-4:C[5]-3:N-3:	N(C[5]C[4,5]C[5])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[5]S)(H)2	C[5](C[4,5]C[5,6a]C[4]2)(C[5]C[5,6a]H)(NCS)	N(C[5]C[4,5]C[5])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[5]S)(H)2	C[5](C[4,5]C[5,6a]C[4]2)(C[5]C[5,6a]H)(NCS){1|C<4>,3|C<3>,3|H<1>}	117.8720	0.000	1	117.8720	0.000	1	117.8720	0.000	1	117.6280	0.119	2	117.4204	6.061	38	117.3466	5.862	40
956	490	818	0:SP3_SP2_SP3	N	C	C[5]	3:4:4:	3:3:1:1:	4:3:3:	C[5]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	C[5]-4:C[5]-3:N-3:	N(C[5]C[5]2)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[5]S)(H)2	C[5](C[5]C[5a]C[5]H)(C[5]C[6a]C[5])(NCS)	N(C[5]C[5]2)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[5]S)(H)2	C[5](C[5]C[5a]C[5]H)(C[5]C[6a]C[5])(NCS){4|C<3>,4|H<1>}	117.3840	0.000	1	117.3840	0.000	1	117.3840	0.000	1	117.6280	0.119	2	117.4204	6.061	38	117.3466	5.862	40
956	490	818	0:SP3_SP2_SP3	N	C	C[5]	3:4:4:	3:4:1:1:	3:3:3:	C[5]-3:S-4:C-4:	N-3:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:N-3:	N(C[5]C[5,6a]C[5])(SC[6a]OO)(CCHH)	C(NC[5]S)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(NCS)	N(C[5]C[5,6a]C[5])(SC[6a]OO)(CCHH)	C(NC[5]S)(CCHH)(H)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(NCS){2|C<3>,3|H<1>}	117.7830	0.000	1	117.7830	0.000	1	117.7830	0.000	1	117.7830	0.000	1	117.4204	6.061	38	117.3466	5.862	40
956	490	818	0:SP3_SP2_SP3	N	C	C[5]	3:4:4:	3:4:4:1:	3:3:3:	C[5]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	C[5]-3:C[5]-3:N-3:	N(C[5]C[5]2)(CCCH)(CCHH)	C(NC[5]C)(CH3)2(H)	C[5](C[5]S[5]Cl)(C[5]S[5]S)(NCC)	N(C[5]C[5]2)(CCCH)(CCHH)	C(NC[5]C)(CH3)2(H)	C[5](C[5]S[5]Cl)(C[5]S[5]S)(NCC)	114.8100	0.000	1	114.8100	0.000	1	114.8100	0.000	1	114.8100	0.000	1	117.4204	6.061	38	117.3466	5.862	40
956	490	818	0:SP3_SP2_SP3	N	C	C[5]	3:4:4:	4:3:1:1:	3:3:3:	C[5]-3:C-4:C-4:	C-4:N-3:H-1:H-1:	C[5]-3:C[5]-3:N-3:	N(C[5]C[5]2)(CCCH)(CCHH)	C(CN[5]HH)(NC[5]C)(H)2	C[5](C[5]S[5]Cl)(C[5]S[5]S)(NCC)	N(C[5]C[5]2)(CCCH)(CCHH)	C(CN[5]HH)(NC[5]C)(H)2	C[5](C[5]S[5]Cl)(C[5]S[5]S)(NCC)	118.8380	0.000	1	118.8380	0.000	1	118.8380	0.000	1	118.8380	0.000	1	117.4204	6.061	38	117.3466	5.862	40
956	490	830	0:SP3_SP-NON_SP3	N	C	F	4:1:1:	3:3:3:3:	3:	C-4:F-1:F-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	N-3:	N(CC[6a]3)(F)2	C(C[6a]C[6a]2)3(NFF)	F(NCF)	N(CC[6a]3)(F)2	C(C[6a]C[6a]2)3(NFF)	F(NCF)	106.6435	0.573	2	106.6435	0.329	2	106.6435	0.329	2	106.6435	0.329	2	106.6435	0.329	2	106.6435	0.329	2
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:3:4:	3:4:4:1:	3:3:3:	B[6,6]-3:C[4]-3:C-4:	N-3:C-4:C-4:H-1:	N[4]-3:N[4]-3:N-3:	N(B[6,6]C[6,6]2)(C[4]N[4]2)(CCCH)	C(NB[6,6]C[4])(CH3)2(H)	C[4](N[4]B[4,6,6]C[6a])(N[4]B[4,6,6]C)(NB[6,6]C)	N(B[6,6]C[6,6]2)(C[4]N[4]2)(CCCH)	C(NB[6,6]C[4])(CH3)2(H)	C[4](N[4]B[4,6,6]C[6a])(N[4]B[4,6,6]C)(NB[6,6]C){2|C<3>,2|C<4>}	113.0350	0.000	1	113.0350	0.000	1	113.0350	0.000	1	113.0350	0.000	1	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:1:	3:4:1:1:	3:3:3:	C[4]-3:C-4:H-1:	N-3:C-4:H-1:H-1:	C[4]-3:C[4]-3:N-3:	N(C[4]C[4]2)(CCHH)(H)	C(NC[4]H)(CHHN)(H)2	C[4](C[4]C[4]O)2(NCH)	N(C[4]C[4]2)(CCHH)(H)	C(NC[4]H)(CHHN)(H)2	C[4](C[4]C[4]O)2(NCH){1|O<1>}	122.7350	0.622	3	122.7350	0.386	3	122.7350	0.386	3	122.7350	0.386	3	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:1:	3:4:4:1:	3:3:3:	C[4]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	N[4]-3:N[4]-3:N-3:	N(C[4]N[4]2)(CCCH)(H)	C(NC[4]H)(CH3)2(H)	C[4](N[4]C[6a]B[4])(N[4]B[4]C)(NCH)	N(C[4]N[4]2)(CCCH)(H)	C(NC[4]H)(CH3)2(H)	C[4](N[4]C[6a]B[4])(N[4]B[4]C)(NCH){2|C<3>,2|C<4>}	121.9470	0.000	1	121.9470	0.000	1	123.8005	6.871	2	123.8005	6.871	2	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:1:	3:4:4:1:	3:3:3:	C[4]-3:C-4:H-1:	N-3:C-4:C-4:H-1:	N[4]-3:N[4]-3:N-3:	N(C[4]N[4]2)(CCCH)(H)	C(NC[4]H)(CH3)2(H)	C[4](N[4]Nb[3,4]C[6a])(N[4]Nb[3,4]C)(NCH)	N(C[4]N[4]2)(CCCH)(H)	C(NC[4]H)(CH3)2(H)	C[4](N[4]Nb[3,4]C[6a])(N[4]Nb[3,4]C)(NCH){1|N<2>,2|C<3>,3|C<4>}	125.6540	0.000	1	125.6540	0.000	1	123.8005	6.871	2	123.8005	6.871	2	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:1:	3:4:4:4:	3:3:3:	C[4]-3:C-4:H-1:	N-3:C-4:C-4:C-4:	C[4]-3:C[4]-3:N-3:	N(C[4]C[4]2)(CC3)(H)	C(NC[4]H)(CH3)3	C[4](C[4]C[4]N)(C[4]C[4]S)(NCH)	N(C[4]C[4]2)(CC3)(H)	C(NC[4]H)(CH3)3	C[4](C[4]C[4]N)(C[4]C[4]S)(NCH){1|S<1>}	128.5225	1.136	2	128.5225	1.291	2	128.5225	1.291	2	128.5225	1.291	2	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:1:	4:3:1:1:	3:3:3:	C[4]-3:C-4:H-1:	C-4:N-3:H-1:H-1:	C[4]-3:C[4]-3:N-3:	N(C[4]C[4]2)(CCHH)(H)	C(CC[6]HH)(NC[4]H)(H)2	C[4](C[4]C[4]O)2(NCH)	N(C[4]C[4]2)(CCHH)(H)	C(CC[6]HH)(NC[4]H)(H)2	C[4](C[4]C[4]O)2(NCH){1|O<1>}	122.2150	0.000	1	122.2150	0.000	1	122.2150	0.000	1	122.2150	0.000	1	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:4:	3:1:1:1:	2:2:3:	C[4]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	S[4]-2:S[4]-2:N-3:	N(C[4]S[4]2)(CCHH)(CH3)	C(NC[4]C)(H)3	C[4](S[4]In[3x4])2(NCC)	N(C[4]S[4]2)(CCHH)(CH3)	C(NC[4]C)(H)3	C[4](S[4]In[3x4])2(NCC){4|S<2>}	122.8990	0.232	3	122.8990	0.054	3	121.8462	0.906	8	121.8462	0.906	8	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:4:	3:1:1:1:	2:2:3:	C[4]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	S[4]-2:S[4]-2:N-3:	N(C[4]S[4]2)(CC[6a]HH)(CH3)	C(NC[4]C)(H)3	C[4](S[4]In[3x4])2(NCC)	N(C[4]S[4]2)(CC[6a]HH)(CH3)	C(NC[4]C)(H)3	C[4](S[4]In[3x4])2(NCC){4|S<2>}	121.1373	0.655	3	121.1373	0.429	3	121.8462	0.906	8	121.8462	0.906	8	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:4:	3:1:1:1:	2:2:3:	C[4]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	S[4]-2:S[4]-2:N-3:	N(C[4]S[4]2)(CH3)2	C(NC[4]C)(H)3	C[4](S[4]In[4,5,5])2(NCC)	N(C[4]S[4]2)(CH3)2	C(NC[4]C)(H)3	C[4](S[4]In[4,5,5])2(NCC){2|N<3>,2|O<2>}	121.3305	0.120	2	121.3305	0.014	2	121.8462	0.906	8	121.8462	0.906	8	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:4:	3:1:1:1:	3:3:3:	C[4]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[4]-3:C[4]-3:N-3:	N(C[4]C[4]2)(CH3)2	C(NC[4]C)(H)3	C[4](C[4]C[4]O)2(NCC)	N(C[4]C[4]2)(CH3)2	C(NC[4]C)(H)3	C[4](C[4]C[4]O)2(NCC){1|O<1>}	121.5490	0.395	2	121.5490	0.156	2	121.5490	0.156	2	121.7418	0.694	22	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:4:	3:1:1:1:	3:3:3:	C[4]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[4]-3:N[4]-3:N-3:	N(C[4]N[4]2)(CH3)2	C(NC[4]C)(H)3	C[4](N[4]C[6a]B[4])2(NCC)	N(C[4]N[4]2)(CH3)2	C(NC[4]C)(H)3	C[4](N[4]C[6a]B[4])2(NCC){2|Br<1>,4|C<3>}	121.4035	0.783	2	121.4035	0.613	2	121.7610	0.755	20	121.7418	0.694	22	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:4:	3:1:1:1:	3:3:3:	C[4]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[4]-3:N[4]-3:N-3:	N(C[4]N[4]2)(CH3)2	C(NC[4]C)(H)3	C[4](N[4]C[6a]Si[4])(N[4]Si[4]C)(NCC)	N(C[4]N[4]2)(CH3)2	C(NC[4]C)(H)3	C[4](N[4]C[6a]Si[4])(N[4]Si[4]C)(NCC){1|Fe<5>,1|H<1>,2|C<3>}	122.0025	1.406	2	122.2335	0.813	4	121.7610	0.755	20	121.7418	0.694	22	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:4:	3:1:1:1:	3:3:3:	C[4]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[4]-3:N[4]-3:N-3:	N(C[4]N[4]2)(CH3)2	C(NC[4]C)(H)3	C[4](N[4]C[6a]Si[4])(N[4]Si[4]C)(NCC)	N(C[4]N[4]2)(CH3)2	C(NC[4]C)(H)3	C[4](N[4]C[6a]Si[4])(N[4]Si[4]C)(NCC){2|Cl<1>,1|H<1>,2|C<3>}	122.4645	0.499	2	122.2335	0.813	4	121.7610	0.755	20	121.7418	0.694	22	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:4:	3:1:1:1:	3:3:3:	C[4]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[4]-3:N[4]-3:N-3:	N(C[4]N[4]2)(CH3)2	C(NC[4]C)(H)3	C[4](N[4]In[3x4]C)2(NCC)	N(C[4]N[4]2)(CH3)2	C(NC[4]C)(H)3	C[4](N[4]In[3x4]C)2(NCC){4|N<3>}	121.6313	0.946	12	121.6313	0.895	12	121.7610	0.755	20	121.7418	0.694	22	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:4:	3:1:1:1:	3:3:3:	C[4]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	N[4]-3:N[4]-3:N-3:	N(C[4]N[4]2)(CH3)2	C(NC[4]C)(H)3	C[4](N[4]Nb[4]C)2(NCC)	N(C[4]N[4]2)(CH3)2	C(NC[4]C)(H)3	C[4](N[4]Nb[4]C)2(NCC){1|N<2>,2|N<3>}	121.9520	0.148	2	121.9520	0.022	2	121.7610	0.755	20	121.7418	0.694	22	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:4:	3:1:1:1:	4:3:3:	C[4]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	C[4,5]-4:C[4]-3:N-3:	N(C[4]C[4,5]C[4])(CH3)2	C(NC[4]C)(H)3	C[4](C[4,5]Ge[4,5]C[5]N)(C[4]Ge[4,5]N)(NCC)	N(C[4]C[4,5]C[4])(CH3)2	C(NC[4]C)(H)3	C[4](C[4,5]Ge[4,5]C[5]N)(C[4]Ge[4,5]N)(NCC){1|C<3>,1|C<4>,1|N<3>,1|W<9>}	121.7200	1.004	2	121.7200	1.008	2	121.7200	1.008	2	117.6917	28.111	4	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:4:	3:1:1:1:	4:3:3:	C[4]-3:C-4:C-4:	N-3:H-1:H-1:H-1:	Ge[4,5]-4:C[4]-3:N-3:	N(C[4]Ge[4,5]C[4])(CH3)2	C(NC[4]C)(H)3	C[4](Ge[4,5]C[4,5]C[5]W)(C[4]C[4,5]N)(NCC)	N(C[4]Ge[4,5]C[4])(CH3)2	C(NC[4]C)(H)3	C[4](Ge[4,5]C[4,5]C[5]W)(C[4]C[4,5]N)(NCC){1|C<4>,2|C<3>,2|N<3>}	113.6635	4.291	2	113.6635	18.416	2	113.6635	18.416	2	117.6917	28.111	4	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:4:	3:3:1:1:	2:2:3:	C[4]-3:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	S[4]-2:S[4]-2:N-3:	N(C[4]S[4]2)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[4]C)(H)2	C[4](S[4]In[3x4])2(NCC)	N(C[4]S[4]2)(CC[6a]HH)(CH3)	C(C[6a]C[6a]2)(NC[4]C)(H)2	C[4](S[4]In[3x4])2(NCC){4|S<2>}	122.8557	0.148	3	122.8557	0.022	3	122.8557	0.022	3	122.8557	0.022	3	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:4:	3:3:1:1:	3:3:3:	C[4]-3:C-4:C-4:	N[6]-3:N-3:H-1:H-1:	C[4]-3:C[4]-3:N-3:	N(C[4]C[4]2)(CN[6]HH)2	C(N[6]C[6]2)(NC[4]C)(H)2	C[4](C[4]C[4]C)2(NCC)	N(C[4]C[4]2)(CN[6]HH)2	C(N[6]C[6]2)(NC[4]C)(H)2	C[4](C[4]C[4]C)2(NCC){1|O<1>}	121.2293	0.039	3	121.2293	0.002	3	121.2293	0.002	3	121.2293	0.002	3	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:4:	3:3:1:1:	3:4:3:	C[4]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	C[4]-3:C[4]-4:N-3:	N(C[4]C[4]2)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[4]S)(H)2	C[4](C[4]C[6a]C[4])(C[4]C[4]CH)(NCS)	N(C[4]C[4]2)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[4]S)(H)2	C[4](C[4]C[6a]C[4])(C[4]C[4]CH)(NCS){1|H<1>,3|C<3>}	118.4790	0.000	1	118.4790	0.000	1	118.4790	0.000	1	118.4790	0.000	1	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:4:	3:3:1:1:	4:3:3:	C[4]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	C[4]-4:C[4]-3:N-3:	N(C[4]C[4]2)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[4]S)(H)2	C[4](C[4]C[6a]C[4]H)(C[4]C[4]C)(NCS)	N(C[4]C[4]2)(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[4]S)(H)2	C[4](C[4]C[6a]C[4]H)(C[4]C[4]C)(NCS){1|O<1>,2|C<3>}	119.5030	0.000	1	119.5030	0.000	1	119.5030	0.000	1	119.5030	0.000	1	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:4:	3:4:1:1:	2:2:3:	C[4]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	O[4]-2:S[4]-2:N-3:	N(C[4]O[4]S[4])(CCHH)2	C(NC[4]C)(CH3)(H)2	C[4](O[4]In[3x4])(S[4]In[3x4])(NCC)	N(C[4]O[4]S[4])(CCHH)2	C(NC[4]C)(CH3)(H)2	C[4](O[4]In[3x4])(S[4]In[3x4])(NCC){2|O<2>,2|S<2>}	121.4743	1.735	6	121.4743	3.011	6	121.4743	3.011	6	121.1640	1.549	21	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:4:	3:4:1:1:	2:2:3:	C[4]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	S[4]-2:S[4]-2:N-3:	N(C[4]S[4]2)(CCHH)(CH3)	C(NC[4]C)(CCHH)(H)2	C[4](S[4]In[3x4])2(NCC)	N(C[4]S[4]2)(CCHH)(CH3)	C(NC[4]C)(CCHH)(H)2	C[4](S[4]In[3x4])2(NCC){4|S<2>}	121.3293	1.034	3	121.3293	1.070	3	121.0398	1.080	15	121.1640	1.549	21	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:4:	3:4:1:1:	2:2:3:	C[4]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	S[4]-2:S[4]-2:N-3:	N(C[4]S[4]2)(CCHH)2	C(NC[4]C)(CCHH)(H)2	C[4](S[4]Se[4])2(NCC)	N(C[4]S[4]2)(CCHH)2	C(NC[4]C)(CCHH)(H)2	C[4](S[4]Se[4])2(NCC)	121.6005	0.752	2	121.6005	0.565	2	121.0398	1.080	15	121.1640	1.549	21	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:4:	3:4:1:1:	2:2:3:	C[4]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	S[4]-2:S[4]-2:N-3:	N(C[4]S[4]2)(CCHH)2	C(NC[4]C)(CH3)(H)2	C[4](S[4]C[4])2(NCC)	N(C[4]S[4]2)(CCHH)2	C(NC[4]C)(CH3)(H)2	C[4](S[4]C[4])2(NCC){1|C<3>,1|H<1>}	120.7220	0.686	2	120.7220	0.470	2	121.0398	1.080	15	121.1640	1.549	21	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:4:	3:4:1:1:	2:2:3:	C[4]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	S[4]-2:S[4]-2:N-3:	N(C[4]S[4]2)(CCHH)2	C(NC[4]C)(CH3)(H)2	C[4](S[4]Nb[6x3,4,4])2(NCC)	N(C[4]S[4]2)(CCHH)2	C(NC[4]C)(CH3)(H)2	C[4](S[4]Nb[6x3,4,4])2(NCC){1|Nb<9>,2|S<2>,4|S<3>}	121.4748	0.507	4	120.8705	1.519	8	121.0398	1.080	15	121.1640	1.549	21	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:4:	3:4:1:1:	2:2:3:	C[4]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	S[4]-2:S[4]-2:N-3:	N(C[4]S[4]2)(CCHH)2	C(NC[4]C)(CH3)(H)2	C[4](S[4]Nb[6x3,4,4])2(NCC)	N(C[4]S[4]2)(CCHH)2	C(NC[4]C)(CH3)(H)2	C[4](S[4]Nb[6x3,4,4])2(NCC){1|Nb<9>,4|Se<3>,2|S<2>}	120.2662	1.521	4	120.8705	1.519	8	121.0398	1.080	15	121.1640	1.549	21	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:4:	3:4:1:1:	3:3:3:	C[4]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[4]-3:C[4]-3:N-3:	N(C[4]C[4]2)(CCHH)2	C(NC[4]C)(CH3)(H)2	C[4](C[4]C[4]C)2(NCC)	N(C[4]C[4]2)(CCHH)2	C(NC[4]C)(CH3)(H)2	C[4](C[4]C[4]C)2(NCC){1|O<1>}	121.1805	0.869	2	121.1805	0.755	2	121.0002	0.710	4	120.5694	1.144	7	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:4:	3:4:1:1:	3:3:3:	C[4]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[4]-3:C[4]-3:N-3:	N(C[4]C[4]2)(CCHH)2	C(NC[4]C)(CH3)(H)2	C[4](C[4]C[4]O)2(NCC)	N(C[4]C[4]2)(CCHH)2	C(NC[4]C)(CH3)(H)2	C[4](C[4]C[4]O)2(NCC){1|O<1>}	120.8200	1.116	2	120.8200	1.245	2	121.0002	0.710	4	120.5694	1.144	7	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:4:	3:4:1:1:	3:3:3:	C[4]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	N[4]-3:N[4]-3:N-3:	N(C[4]N[4]2)(CCHH)2	C(NC[4]C)(CH3)(H)2	C[4](N[4]In[3x4]C)2(NCC)	N(C[4]N[4]2)(CCHH)2	C(NC[4]C)(CH3)(H)2	C[4](N[4]In[3x4]C)2(NCC){4|N<3>}	119.9950	1.226	3	119.9950	1.502	3	119.9950	1.502	3	120.5694	1.144	7	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:4:	3:4:1:1:	3:4:3:	C[4]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[4]-3:C[4]-4:N-3:	N(C[4]C[4]2)(CCHH)2	C(NC[4]C)(CH3)(H)2	C[4](C[4]B[5]C[4])(C[4]C[4]HH)(NCC)	N(C[4]C[4]2)(CCHH)2	C(NC[4]C)(CH3)(H)2	C[4](C[4]B[5]C[4])(C[4]C[4]HH)(NCC){1|N<3>,3|O<2>}	121.5060	0.945	4	121.5060	0.893	4	121.3342	1.550	6	121.3342	1.550	6	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:4:	3:4:1:1:	3:4:3:	C[4]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[4]-3:C[4]-4:N-3:	N(C[4]C[4]2)(CCHH)2	C(NC[4]C)(CH3)(H)2	C[4](C[4]C[6a]C[4])(C[4]C[4]CH)(NCC)	N(C[4]C[4]2)(CCHH)2	C(NC[4]C)(CH3)(H)2	C[4](C[4]C[6a]C[4])(C[4]C[4]CH)(NCC){1|W<8>,2|C<3>}	120.9905	2.172	2	120.9905	4.716	2	121.3342	1.550	6	121.3342	1.550	6	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:4:	3:4:1:1:	4:2:3:	C[4]-3:C-4:C-4:	N-3:C-4:H-1:H-1:	C[4]-4:N[4]-2:N-3:	N(C[4]C[4]N[4])(CCHH)2	C(NC[4]C)(CH3)(H)2	C[4](C[4]C[6a]S[4]C)(N[4]S[4])(NCC)	N(C[4]C[4]N[4])(CCHH)2	C(NC[4]C)(CH3)(H)2	C[4](C[4]C[6a]S[4]C)(N[4]S[4])(NCC){2|C<3>,2|O<1>}	121.0040	1.648	30	121.0040	2.715	30	121.0040	2.715	30	121.0040	2.715	30	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:4:	3:4:4:1:	2:2:3:	C[4]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	O[4]-2:S[4]-2:N-3:	N(C[4]O[4]S[4])(CCCH)2	C(NC[4]C)(CH3)2(H)	C[4](O[4]In[3x4])(S[4]In[3x4])(NCC)	N(C[4]O[4]S[4])(CCCH)2	C(NC[4]C)(CH3)2(H)	C[4](O[4]In[3x4])(S[4]In[3x4])(NCC){2|O<2>,2|S<2>}	120.9925	0.933	6	120.9925	0.871	6	120.9925	0.871	6	120.9925	0.871	6	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:4:	3:4:4:1:	3:3:3:	C[4]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	N[4]-3:N[4]-3:N-3:	N(C[4]N[4]2)(CCCH)2	C(NC[4]C)(CH3)2(H)	C[4](N[4]B[4]C[6])2(NCC)	N(C[4]N[4]2)(CCCH)2	C(NC[4]C)(CH3)2(H)	C[4](N[4]B[4]C[6])2(NCC){2|Cl<1>,2|H<1>,4|C<4>}	121.1475	4.648	2	121.1475	21.602	2	119.0146	2.714	18	119.0146	2.714	18	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:4:	3:4:4:1:	3:3:3:	C[4]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	N[4]-3:N[4]-3:N-3:	N(C[4]N[4]2)(CCCH)2	C(NC[4]C)(CH3)2(H)	C[4](N[4]C[6a]Ge[4])2(NCC)	N(C[4]N[4]2)(CCCH)2	C(NC[4]C)(CH3)2(H)	C[4](N[4]C[6a]Ge[4])2(NCC){1|Ga<3>,4|C<3>}	118.2325	0.678	2	118.4715	1.472	8	119.0146	2.714	18	119.0146	2.714	18	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:4:	3:4:4:1:	3:3:3:	C[4]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	N[4]-3:N[4]-3:N-3:	N(C[4]N[4]2)(CCCH)2	C(NC[4]C)(CH3)2(H)	C[4](N[4]C[6a]Ge[4])2(NCC)	N(C[4]N[4]2)(CCCH)2	C(NC[4]C)(CH3)2(H)	C[4](N[4]C[6a]Ge[4])2(NCC){1|Se<1>,1|N<3>,4|C<3>}	118.6210	1.146	2	118.4715	1.472	8	119.0146	2.714	18	119.0146	2.714	18	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:4:	3:4:4:1:	3:3:3:	C[4]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	N[4]-3:N[4]-3:N-3:	N(C[4]N[4]2)(CCCH)2	C(NC[4]C)(CH3)2(H)	C[4](N[4]C[6a]Ge[4])2(NCC)	N(C[4]N[4]2)(CCCH)2	C(NC[4]C)(CH3)2(H)	C[4](N[4]C[6a]Ge[4])2(NCC){4|C<3>}	118.5162	1.670	4	118.4715	1.472	8	119.0146	2.714	18	119.0146	2.714	18	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP2_SP2_SP3	N	C	C[4]	3:4:4:	3:4:4:1:	3:3:3:	C[4]-3:C-4:C-4:	N-3:C-4:C-4:H-1:	N[4]-3:N[4]-3:N-3:	N(C[4]N[4]2)(CCCH)2	C(NC[4]C)(CH3)2(H)	C[4](N[4]C[6a]In[4])2(NCC)	N(C[4]N[4]2)(CCCH)2	C(NC[4]C)(CH3)2(H)	C[4](N[4]C[6a]In[4])2(NCC){1|Cl<1>,1|In<4>,4|C<3>}	119.0245	0.630	8	119.0245	0.397	8	119.0146	2.714	18	119.0146	2.714	18	120.9854	4.681	139	120.9854	4.681	139
956	490	846	0:SP3_SP2_SP3	N	C	C[4]	3:4:4:	3:3:1:1:	4:3:3:	C[4]-3:C-4:S-4:	C[6a]-3:N-3:H-1:H-1:	C[4,6]-4:C[4]-3:N-3:	N(C[4]C[4,6]C[4])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[4]S)(H)2	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]C)(NCS)	N(C[4]C[4,6]C[4])(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]2)(NC[4]S)(H)2	C[4](C[4,6]C[4,6]C[6]H)(C[4]C[4,6]C)(NCS){1|H<1>,1|O<1>,2|C<4>}	116.7280	0.000	1	116.7280	0.000	1	116.7280	0.000	1	116.7280	0.000	1	116.7280	0.000	1	116.7280	0.000	1
956	490	849	0:SP2_SP3_SP3	N	C	P[6,6]	4:4:1:	3:4:4:1:	4:4:3:3:	P[6,6]-4:C-4:H-1:	N-3:C-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:P-3:N-3:	N(P[6,6]C[6,6]2P)(CCCH)(H)	C(NP[6,6]H)(CH3)2(H)	P[6,6](C[6,6]C[6]2H)2(PC[6a]2)(NCH)	N(P[6,6]C[6,6]2P)(CCCH)(H)	C(NP[6,6]H)(CH3)2(H)	P[6,6](C[6,6]C[6]2H)2(PC[6a]2)(NCH){2|C<4>,8|H<1>}	127.3410	0.000	1	127.3410	0.000	1	127.3410	0.000	1	127.3410	0.000	1	127.3410	0.000	1	124.2435	14.093	36
956	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:1:	3:4:1:1:	2:2:3:1:	P[6]-4:C-4:H-1:	N-3:C-4:H-1:H-1:	O[6]-2:O[6]-2:N-3:O-1:	N(P[6]O[6]2O)(CCHH)(H)	C(NP[6]H)(CCHH)(H)2	P[6](O[6]C[6])2(NCH)(O)	N(P[6]O[6]2O)(CCHH)(H)	C(NP[6]H)(CCHH)(H)2	P[6](O[6]C[6])2(NCH)(O){1|C<3>,1|C<4>,3|H<1>}	125.4540	0.000	1	125.4540	0.000	1	125.4540	0.000	1	125.4043	0.034	3	124.1550	14.217	35	124.2435	14.093	36
956	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:1:	3:4:1:1:	2:2:3:1:	P[6]-4:C-4:H-1:	N-3:C-4:H-1:H-1:	O[6]-2:O[6]-2:N-3:S-1:	N(P[6]O[6]2S)(CCHH)(H)	C(NP[6]H)(CHHN)(H)2	P[6](O[6]C[6])2(NCH)(S)	N(P[6]O[6]2S)(CCHH)(H)	C(NP[6]H)(CHHN)(H)2	P[6](O[6]C[6])2(NCH)(S){1|C<4>,4|H<1>}	125.3795	0.252	2	125.3795	0.064	2	125.3795	0.064	2	125.4043	0.034	3	124.1550	14.217	35	124.2435	14.093	36
956	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:1:	3:4:1:1:	2:2:3:2:	P[6]-4:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6]-2:N[6]-2:N-3:O-2:	N(P[6]N[6]2O)(CCHH)(H)	C(NP[6]H)(CHHO)(H)2	P[6](N[6]P[6])2(NCH)(OC)	N(P[6]N[6]2O)(CCHH)(H)	C(NP[6]H)(CHHO)(H)2	P[6](N[6]P[6])2(NCH)(OC){3|Cl<1>,1|N<2>,1|O<2>}	123.8360	0.000	1	123.8360	0.000	1	123.8360	0.000	1	123.8360	0.000	1	124.1550	14.217	35	124.2435	14.093	36
956	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:1:	3:4:4:1:	2:2:2:3:	P[6]-4:C-4:H-1:	N-3:C-4:C-4:H-1:	N[6]-2:N[6]-2:O-2:N-3:	N(P[6]N[6]2O)(CCCH)(H)	C(NP[6]H)(CH3)2(H)	P[6](N[6]P[6])2(OP[6])(NCH)	N(P[6]N[6]2O)(CCCH)(H)	C(NP[6]H)(CH3)2(H)	P[6](N[6]P[6])2(OP[6])(NCH){4|Cl<1>,1|N<2>}	125.4190	0.000	1	125.4190	0.000	1	125.4190	0.000	1	125.4190	0.000	1	124.1550	14.217	35	124.2435	14.093	36
956	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:1:	3:4:4:1:	3:2:3:3:	P[6]-4:C-4:H-1:	N-3:C-4:C-4:H-1:	N[6]-3:N[6]-2:N-3:N-3:	N(P[6]N[6]2N)(CCCH)(H)	C(NP[6]H)(CH3)2(H)	P[6](N[6]P[6]H)(N[6]P[6])(NCH)2	N(P[6]N[6]2N)(CCCH)(H)	C(NP[6]H)(CH3)2(H)	P[6](N[6]P[6]H)(N[6]P[6])(NCH)2{5|N<3>}	123.8520	0.961	4	123.8520	0.923	4	123.8520	0.923	4	123.8520	0.923	4	124.1550	14.217	35	124.2435	14.093	36
956	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:1:	3:4:4:4:	2:2:3:1:	P[6]-4:C-4:H-1:	N-3:C-4:C-4:C-4:	N[6]-2:N[6]-2:N-3:Cl-1:	N(P[6]N[6]2Cl)(CC3)(H)	C(NP[6]H)(CH3)3	P[6](N[6]P[6])2(NCH)(Cl)	N(P[6]N[6]2Cl)(CC3)(H)	C(NP[6]H)(CH3)3	P[6](N[6]P[6])2(NCH)(Cl){4|Cl<1>,1|N<2>}	131.5620	0.000	1	131.5620	0.000	1	131.5620	0.000	1	131.5620	0.000	1	124.1550	14.217	35	124.2435	14.093	36
956	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:1:	3:4:4:4:	2:2:3:2:	P[6]-4:C-4:H-1:	N-3:C-4:C-4:C-4:	N[6]-2:N[6]-2:N-3:O-2:	N(P[6]N[6]2O)(CC3)(H)	C(NP[6]H)(CH3)3	P[6](N[6]P[6])2(NCH)(OC)	N(P[6]N[6]2O)(CC3)(H)	C(NP[6]H)(CH3)3	P[6](N[6]P[6])2(NCH)(OC){1|O<2>,2|C<3>,2|N<2>}	129.1420	0.000	1	129.1420	0.000	1	129.1420	0.000	1	129.1420	0.000	1	124.1550	14.217	35	124.2435	14.093	36
956	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:1:	3:4:4:4:	2:2:3:3:	P[6]-4:C-4:H-1:	N-3:C-4:C-4:C-4:	N[6]-2:N[6]-2:N-3:N-3:	N(P[6]N[6]2N)(CC3)(H)	C(NP[6]H)(CH3)3	P[6](N[6]P[6,6])(N[6]P[6])(NCH)2	N(P[6]N[6]2N)(CC3)(H)	C(NP[6]H)(CH3)3	P[6](N[6]P[6,6])(N[6]P[6])(NCH)2{1|N<2>,4|N<3>}	133.3310	0.000	1	133.3310	0.000	1	132.2573	0.870	3	132.2573	0.870	3	124.1550	14.217	35	124.2435	14.093	36
956	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:1:	3:4:4:4:	2:2:3:3:	P[6]-4:C-4:H-1:	N-3:C-4:C-4:C-4:	N[6]-2:N[6]-2:N-3:N-3:	N(P[6]N[6]2N)(CC3)(H)	C(NP[6]H)(CH3)3	P[6](N[6]P[6])2(NCH)2	N(P[6]N[6]2N)(CC3)(H)	C(NP[6]H)(CH3)3	P[6](N[6]P[6])2(NCH)2{1|N<2>,4|N<3>}	131.7205	0.101	2	131.7205	0.010	2	132.2573	0.870	3	132.2573	0.870	3	124.1550	14.217	35	124.2435	14.093	36
956	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:2:	3:1:1:1:	2:2:3:3:	P[6]-4:C-4:N-2:	N-3:H-1:H-1:H-1:	N[6]-2:N[6]-2:N-3:N-3:	N(P[6]N[6]2N)(CH3)(NC)	C(NP[6]N)(H)3	P[6](N[6]C[6])2(NCN)2	N(P[6]N[6]2N)(CH3)(NC)	C(NP[6]N)(H)3	P[6](N[6]C[6])2(NCN)2{1|N<2>,2|N<3>}	125.5760	2.376	2	125.5760	5.645	2	124.1844	3.294	8	124.1844	3.294	8	124.1550	14.217	35	124.2435	14.093	36
956	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:2:	3:1:1:1:	2:2:3:3:	P[6]-4:C-4:N-2:	N-3:H-1:H-1:H-1:	N[6]-2:N[6]-2:N-3:N-3:	N(P[6]N[6]2N)(CH3)(NC)	C(NP[6]N)(H)3	P[6](N[6]P[6])2(NCN)2	N(P[6]N[6]2N)(CH3)(NC)	C(NP[6]N)(H)3	P[6](N[6]P[6])2(NCN)2{1|N<2>,4|N<3>}	123.0350	0.907	2	123.7205	2.449	6	124.1844	3.294	8	124.1844	3.294	8	124.1550	14.217	35	124.2435	14.093	36
956	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:2:	3:1:1:1:	2:2:3:3:	P[6]-4:C-4:N-2:	N-3:H-1:H-1:H-1:	N[6]-2:N[6]-2:N-3:N-3:	N(P[6]N[6]2N)(CH3)(NC)	C(NP[6]N)(H)3	P[6](N[6]P[6])2(NCN)2	N(P[6]N[6]2N)(CH3)(NC)	C(NP[6]N)(H)3	P[6](N[6]P[6])2(NCN)2{1|N<2>,4|O<2>}	124.0632	1.827	4	123.7205	2.449	6	124.1844	3.294	8	124.1844	3.294	8	124.1550	14.217	35	124.2435	14.093	36
956	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:3:	3:1:1:1:	2:2:3:3:	P[6]-4:C-4:C-3:	N-3:H-1:H-1:H-1:	N[6]-2:N[6]-2:N-3:N-3:	N(P[6]N[6]2N)(CH3)(CHH)	C(NP[6]C)(H)3	P[6](N[6]P[6,6])(N[6]P[6])(NCC)2	N(P[6]N[6]2N)(CH3)(CHH)	C(NP[6]C)(H)3	P[6](N[6]P[6,6])(N[6]P[6])(NCC)2{5|N<3>}	125.5770	0.000	1	125.5770	0.000	1	125.5770	0.000	1	125.5770	0.000	1	124.1550	14.217	35	124.2435	14.093	36
956	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:4:	3:3:1:1:	2:2:3:1:	P[6]-4:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	N[6]-2:N[6]-2:N-3:Cl-1:	N(P[6]N[6]2Cl)(CC[6a]HH)2	C(C[6a]C[6a]2)(NP[6]C)(H)2	P[6](N[6]P[6])2(NCC)(Cl)	N(P[6]N[6]2Cl)(CC[6a]HH)2	C(C[6a]C[6a]2)(NP[6]C)(H)2	P[6](N[6]P[6])2(NCC)(Cl){3|Cl<1>,1|N<2>,1|N<3>}	120.9345	3.309	2	120.9020	7.333	4	120.9020	7.333	4	120.9020	7.333	4	124.1550	14.217	35	124.2435	14.093	36
956	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:4:	3:3:1:1:	2:2:3:1:	P[6]-4:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	N[6]-2:N[6]-2:N-3:Cl-1:	N(P[6]N[6]2Cl)(CC[6a]HH)2	C(C[6a]C[6a]2)(NP[6]C)(H)2	P[6](N[6]P[6])2(NCC)(Cl)	N(P[6]N[6]2Cl)(CC[6a]HH)2	C(C[6a]C[6a]2)(NP[6]C)(H)2	P[6](N[6]P[6])2(NCC)(Cl){4|Cl<1>,1|N<2>}	120.8695	3.324	2	120.9020	7.333	4	120.9020	7.333	4	120.9020	7.333	4	124.1550	14.217	35	124.2435	14.093	36
956	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:4:	3:4:1:1:	2:2:3:1:	P[6]-4:C-4:C-4:	N-3:C-4:H-1:H-1:	O[6]-2:O[6]-2:N-3:O-1:	N(P[6]O[6]2O)(CCHH)2	C(NP[6]C)(CClHH)(H)2	P[6](O[6]C[5,6])(O[6]C[6])(NCC)(O)	N(P[6]O[6]2O)(CCHH)2	C(NP[6]C)(CClHH)(H)2	P[6](O[6]C[5,6])(O[6]C[6])(NCC)(O){1|C<3>,2|C<4>,2|H<1>}	120.9050	0.225	2	120.9050	0.051	2	120.8555	0.430	4	120.8555	0.430	4	124.1550	14.217	35	124.2435	14.093	36
956	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:4:	3:4:1:1:	2:2:3:1:	P[6]-4:C-4:C-4:	N-3:C-4:H-1:H-1:	O[6]-2:O[6]-2:N-3:O-1:	N(P[6]O[6]2O)(CCHH)2	C(NP[6]C)(CH3)(H)2	P[6](O[6]P[6])2(NCC)(O)	N(P[6]O[6]2O)(CCHH)2	C(NP[6]C)(CH3)(H)2	P[6](O[6]P[6])2(NCC)(O){1|O<2>,4|O<1>}	120.8060	1.109	2	120.8060	1.229	2	120.8555	0.430	4	120.8555	0.430	4	124.1550	14.217	35	124.2435	14.093	36
956	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:4:	3:4:1:1:	3:2:3:1:	P[6]-4:C-4:C-4:	N-3:C-4:H-1:H-1:	N[6]-3:O[6]-2:N-3:O-1:	N(P[6]N[6]O[6]O)(CCHH)2	C(NP[6]C)(CClHH)(H)2	P[6](N[6]C[6]H)(O[6]C[6])(NCC)(O)	N(P[6]N[6]O[6]O)(CCHH)2	C(NP[6]C)(CClHH)(H)2	P[6](N[6]C[6]H)(O[6]C[6])(NCC)(O){1|C<4>,4|H<1>}	120.2275	0.238	2	120.2275	0.057	2	120.2275	0.057	2	120.2275	0.057	2	124.1550	14.217	35	124.2435	14.093	36
956	490	849	0:SP2_SP3_SP3	N	C	P[6]	4:4:4:	3:4:1:1:	3:3:3:1:	P[6]-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C[5,6]-3:C[5,6]-3:N-3:O-1:	N(P[6]C[5,6]2O)(CCHH)2	C(NP[6]C)(CH3)(H)2	P[6](C[5,6]C[5,6]N[5])2(NCC)(O)	N(P[6]C[5,6]2O)(CCHH)2	C(NP[6]C)(CH3)(H)2	P[6](C[5,6]C[5,6]N[5])2(NCC)(O){1|P<4>,2|C<2>,2|C<4>,2|N<3>}	120.2675	0.019	2	120.2675	0.000	2	120.2675	0.000	2	120.2675	0.000	2	124.1550	14.217	35	124.2435	14.093	36
956	490	849	0:SP3_SP3_SP3	N	C	P[6]	4:3:4:	3:1:1:1:	2:2:3:3:	P[6]-4:N-3:C-4:	N-3:H-1:H-1:H-1:	N[6]-2:N[6]-2:N-3:N-3:	N(P[6]N[6]2N)(NCuC)(CH3)	C(NP[6]N)(H)3	P[6](N[6]C[6])2(NCN)2	N(P[6]N[6]2N)(NCuC)(CH3)	C(NP[6]N)(H)3	P[6](N[6]C[6])2(NCN)2{1|N<2>,2|N<3>}	117.9590	2.285	2	117.9590	5.223	2	117.9590	5.223	2	117.9590	5.223	2	121.7261	23.388	86	121.7261	23.388	86
956	490	849	0:SP3_SP3_SP3	N	C	P[6]	4:4:1:	3:3:1:1:	2:2:3:1:	P[6]-4:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	O[6]-2:O[6]-2:N-3:O-1:	N(P[6]O[6]2O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NP[6]H)(H)2	P[6](O[6]C[5,6])(O[6]C[6])(NCH)(O)	N(P[6]O[6]2O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NP[6]H)(H)2	P[6](O[6]C[5,6])(O[6]C[6])(NCH)(O){2|C<4>,3|H<1>}	122.9690	0.000	1	122.9690	0.000	1	124.2445	3.254	2	125.0830	3.736	3	121.7261	23.388	86	121.7261	23.388	86
956	490	849	0:SP3_SP3_SP3	N	C	P[6]	4:4:1:	3:3:1:1:	2:2:3:1:	P[6]-4:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	O[6]-2:O[6]-2:N-3:O-1:	N(P[6]O[6]2O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NP[6]H)(H)2	P[6](O[6]C[6])2(NCH)(O)	N(P[6]O[6]2O)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NP[6]H)(H)2	P[6](O[6]C[6])2(NCH)(O){1|C<3>,1|C<4>,3|H<1>}	125.5200	0.000	1	125.5200	0.000	1	124.2445	3.254	2	125.0830	3.736	3	121.7261	23.388	86	121.7261	23.388	86
956	490	849	0:SP3_SP3_SP3	N	C	P[6]	4:4:1:	3:3:1:1:	2:2:3:1:	P[6]-4:C-4:H-1:	C[6a]-3:N-3:H-1:H-1:	O[6]-2:O[6]-2:N-3:S-1:	N(P[6]O[6]2S)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NP[6]H)(H)2	P[6](O[6]C[6])2(NCH)(S)	N(P[6]O[6]2S)(CC[6a]HH)(H)	C(C[6a]C[6a]2)(NP[6]H)(H)2	P[6](O[6]C[6])2(NCH)(S){1|C<3>,1|C<4>,3|H<1>}	126.7600	0.000	1	126.7600	0.000	1	126.7600	0.000	1	125.0830	3.736	3	121.7261	23.388	86	121.7261	23.388	86
956	490	849	0:SP3_SP3_SP3	N	C	P[6]	4:4:1:	3:3:4:1:	2:2:3:1:	P[6]-4:C-4:H-1:	C[6a]-3:N-3:C-4:H-1:	O[6]-2:O[6]-2:N-3:O-1:	N(P[6]O[6]2O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NP[6]H)(CH3)(H)	P[6](O[6]C[6])2(NCH)(O)	N(P[6]O[6]2O)(CC[6a]CH)(H)	C(C[6a]C[6a]2)(NP[6]H)(CH3)(H)	P[6](O[6]C[6])2(NCH)(O){1|C<3>,1|C<4>,3|H<1>}	126.1350	0.000	1	126.1350	0.000	1	126.1350	0.000	1	126.1350	0.000	1	121.7261	23.388	86	121.7261	23.388	86
956	490	849	0:SP3_SP3_SP3	N	C	P[6]	4:4:1:	3:4:1:1:	2:2:3:1:	P[6]-4:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6]-2:N[6]-2:N-3:Cl-1:	N(P[6]N[6]2Cl)(CCHH)(H)	C(NP[6]H)(CH3)(H)2	P[6](N[6]P[6,6])(N[6]P[6])(NCH)(Cl)	N(P[6]N[6]2Cl)(CCHH)(H)	C(NP[6]H)(CH3)(H)2	P[6](N[6]P[6,6])(N[6]P[6])(NCH)(Cl){2|Cl<1>,1|O<2>,2|N<2>}	121.5230	0.000	1	121.5230	0.000	1	121.5230	0.000	1	121.5230	0.000	1	121.7261	23.388	86	121.7261	23.388	86
956	490	849	0:SP3_SP3_SP3	N	C	P[6]	4:4:1:	3:4:1:1:	2:2:3:3:	P[6]-4:C-4:H-1:	N-3:C-4:H-1:H-1:	N[6]-2:N[6]-2:N-3:N-3:	N(P[6]N[6]2N)(CCHH)(H)	C(NP[6]H)(CCHH)(H)2	P[6](N[6]P[6])2(NCC)(NCH)	N(P[6]N[6]2N)(CCHH)(H)	C(NP[6]H)(CCHH)(H)2	P[6](N[6]P[6])2(NCC)(NCH){4|Cl<1>,1|N<2>}	124.3620	0.000	1	124.3620	0.000	1	124.3620	0.000	1	124.3620	0.000	1	121.7261	23.388	86	121.7261	23.388	86
956	490	849	0:SP3_SP3_SP3	N	C	P[6]	4:4:1:	3:4:4:1:	3:2:3:3:	P[6]-4:C-4:H-1:	N-3:C-4:C-4:H-1:	N[6]-3:N[6]-2:N-3:N-3:	N(P[6]N[6]2N)(CCCH)(H)	C(NP[6]H)(CH3)2(H)	P[6](N[6]P[6]H)(N[6]P[6])(NCH)2	N(P[6]N[6]2N)(CCCH)(H)	C(NP[6]H)(CH3)2(H)	P[6](N[6]P[6]H)(N[6]P[6])(NCH)2{5|N<3>}	122.3315	1.297	4	122.3315	1.683	4	122.3315	1.683	4	122.3315	1.683	4	121.7261	23.388	86	121.7261	23.388	86
956	490	849	0:SP3_SP3_SP3	N	C	P[6]	4:4:1:	3:4:4:1:	3:3:3:3:	P[6]-4:C-4:H-1:	N-3:C-4:C-4:H-1:	N[6]-3:N[6]-3:N-3:N-3:	N(P[6]N[6]2N)(CCCH)(H)	C(NP[6]H)(CH3)2(H)	P[6](N[6]P[6]H)2(NCH)2	N(P[6]N[6]2N)(CCCH)(H)	C(NP[6]H)(CH3)2(H)	P[6](N[6]P[6]H)2(NCH)2{1|N<2>,4|N<3>}	125.5460	0.202	4	125.5460	0.041	4	125.5460	0.041	4	125.5460	0.041	4	121.7261	23.388	86	121.7261	23.388	86
956	490	849	0:SP3_SP3_SP3	N	C	P[6]	4:4:1:	3:4:4:4:	2:2:3:2:	P[6]-4:C-4:H-1:	N-3:C-4:C-4:C-4:	N[6]-2:N[6]-2:N-3:N-2:	N(P[6]N[6]2N)(CC3)(H)	C(NP[6]H)(CH3)3	P[6](N[6]P[6])2(NCH)(NC)	N(P[6]N[6]2N)(CC3)(H)	C(NP[6]H)(CH3)3	P[6](N[6]P[6])2(NCH)(NC){2|Cl<1>,1|N<3>,2|N<2>}	128.4465	0.443	2	128.8240	0.526	3	128.8240	0.526	3	128.8240	0.526	3	121.7261	23.388	86	121.7261	23.388	86
956	490	849	0:SP3_SP3_SP3	N	C	P[6]	4:4:1:	3:4:4:4:	2:2:3:2:	P[6]-4:C-4:H-1:	N-3:C-4:C-4:C-4:	N[6]-2:N[6]-2:N-3:N-2:	N(P[6]N[6]2N)(CC3)(H)	C(NP[6]H)(CH3)3	P[6](N[6]P[6])2(NCH)(NC)	N(P[6]N[6]2N)(CC3)(H)	C(NP[6]H)(CH3)3	P[6](N[6]P[6])2(NCH)(NC){5|N<2>}	129.5790	0.000	1	128.8240	0.526	3	128.8240	0.526	3	128.8240	0.526	3	121.7261	23.388	86	121.7261	23.388	86
956	490	849	0:SP3_SP3_SP3	N	C	P[6]	4:4:1:	3:4:4:4:	2:2:3:3:	P[6]-4:C-4:H-1:	N-3:C-4:C-4:C-4:	N[6]-2:N[6]-2:N-3:N-3:	N(P[6]N[6]2N)(CC3)(H)	C(NP[6]H)(CH3)3	P[6](N[6]P[6,6])(N[6]P[6])(NCH)2	N(P[6]N[6]2N)(CC3)(H)	C(NP[6]H)(CH3)3	P[6](N[6]P[6,6])(N[6]P[6])(NCH)2{1|N<2>,4|N<3>}	129.8934	2.069	7	129.8934	4.283	7	129.8918	4.367	13	129.8918	4.367	13	121.7261	23.388	86	121.7261	23.388	86
956	490	849	0:SP3_SP3_SP3	N	C	P[6]	4:4:1:	3:4:4:4:	2:2:3:3:	P[6]-4:C-4:H-1:	N-3:C-4:C-4:C-4:	N[6]-2:N[6]-2:N-3:N-3:	N(P[6]N[6]2N)(CC3)(H)	C(NP[6]H)(CH3)3	P[6](N[6]P[6])2(NCH)2	N(P[6]N[6]2N)(CC3)(H)	C(NP[6]H)(CH3)3	P[6](N[6]P[6])2(NCH)2{1|N<2>,4|N<3>}	128.6280	1.234	4	129.8898	5.341	6	129.8918	4.367	13	129.8918	4.367	13	121.7261	23.388	86	121.7261	23.388	86
956	490	849	0:SP3_SP3_SP3	N	C	P[6]	4:4:1:	3:4:4:4:	2:2:3:3:	P[6]-4:C-4:H-1:	N-3:C-4:C-4:C-4:	N[6]-2:N[6]-2:N-3:N-3:	N(P[6]N[6]2N)(CC3)(H)	C(NP[6]H)(CH3)3	P[6](N[6]P[6])2(NCH)2	N(P[6]N[6]2N)(CC3)(H)	C(NP[6]H)(CH3)3	P[6](N[6]P[6])2(NCH)2{5|N<3>}	132.4135	1.740	2	129.8898	5.341	6	129.8918	4.367	13	129.8918	4.367	13	121.7261	23.388	86	121.7261	23.388	86
956	490	849	0:SP3_SP3_SP3	N	C	P[6]	4:4:2:	3:1:1:1:	3:2:3:3:	P[6]-4:C-4:C-2:	N-3:H-1:H-1:H-1:	N[6]-3:N[6]-2:N-3:N-3:	N(P[6]N[6]2N)(CH3)(CH)	C(NP[6]C)(H)3	P[6](N[6]P[6,6]H)(N[6]P[6])(NCC)2	N(P[6]N[6]2N)(CH3)(CH)	C(NP[6]C)(H)3	P[6](N[6]P[6,6]H)(N[6]P[6])(NCC)2{1|N<2>,4|N<3>}	119.3020	0.000	1	119.3020	0.000	1	119.3020	0.000	1	119.3020	0.000	1	121.7261	23.388	86	121.7261	23.388	86
956	490	849	0:SP3_SP3_SP3	N	C	P[6]	4:4:2:	3:3:1:1:	2:2:3:1:	P[6]-4:C-4:C-2:	C[6a]-3:N-3:H-1:H-1:	O[6]-2:O[6]-2:N-3:O-1:	N(P[6]O[6]2O)(CC[6a]HH)(CC)	C(C[6a]C[6a]2)(NP[6]C)(H)2	P[6](O[6]C[6])2(NCC)(O)	N(P[6]O[6]2O)(CC[6a]HH)(CC)	C(C[6a]C[6a]2)(NP[6]C)(H)2	P[6](O[6]C[6])2(NCC)(O){2|C<4>,3|H<1>}	122.5200	0.000	1	122.5200	0.000	1	122.5200	0.000	1	122.5200	0.000	1	121.7261	23.388	86	121.7261	23.388	86
956	490	849	0:SP3_SP3_SP3	N	C	P[6]	4:4:3:	3:1:1:1:	2:2:3:3:	P[6]-4:C-4:N-3:	N-3:H-1:H-1:H-1:	N[6]-2:N[6]-2:N-3:N-3:	N(P[6]N[6]2N)(CH3)(NHH)	C(NP[6]N)(H)3	P[6](N[6]P[6])2(NCN)2	N(P[6]N[6]2N)(CH3)(NHH)	C(NP[6]N)(H)3	P[6](N[6]P[6])2(NCN)2{1|N<2>,4|N<3>}	118.9958	3.058	6	118.9958	9.348	6	118.9958	9.348	6	118.9958	9.348	6	121.7261	23.388	86	121.7261	23.388	86
956	490	849	0:SP3_SP3_SP3	N	C	P[6]	4:4:4:	3:1:1:1:	2:2:3:1:	P[6]-4:C-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-2:N[6]-2:N-3:Cl-1:	N(P[6]N[6]2Cl)(CH3)2	C(NP[6]C)(H)3	P[6](N[6]P[6,6])(N[6]P[6])(NCC)(Cl)	N(P[6]N[6]2Cl)(CH3)2	C(NP[6]C)(H)3	P[6](N[6]P[6,6])(N[6]P[6])(NCC)(Cl){1|Cl<1>,1|N<2>,1|N<3>,2|O<2>}	117.6945	0.971	24	117.6945	0.944	24	117.6945	0.944	24	117.5800	1.233	25	121.7261	23.388	86	121.7261	23.388	86
956	490	849	0:SP3_SP3_SP3	N	C	P[6]	4:4:4:	3:1:1:1:	2:2:3:1:	P[6]-4:Si-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-2:N[6]-2:N-3:Cl-1:	N(P[6]N[6]2Cl)(SiC3)(CH3)	C(NP[6]Si)(H)3	P[6](N[6]P[6])2(NSiC)(Cl)	N(P[6]N[6]2Cl)(SiC3)(CH3)	C(NP[6]Si)(H)3	P[6](N[6]P[6])2(NSiC)(Cl){1|Cl<1>,1|N<2>,3|N<3>}	114.8300	0.000	1	114.8300	0.000	1	114.8300	0.000	1	117.5800	1.233	25	121.7261	23.388	86	121.7261	23.388	86
956	490	849	0:SP3_SP3_SP3	N	C	P[6]	4:4:4:	3:1:1:1:	2:2:3:3:	P[6]-4:Si-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-2:N[6]-2:N-3:N-3:	N(P[6]N[6]2N)(SiC3)(CH3)	C(NP[6]Si)(H)3	P[6](N[6]P[6])2(NSiC)2	N(P[6]N[6]2N)(SiC3)(CH3)	C(NP[6]Si)(H)3	P[6](N[6]P[6])2(NSiC)2{2|Cl<1>,1|N<2>,2|N<3>}	115.7880	0.000	1	115.7880	0.000	1	115.7880	0.000	1	115.7880	0.000	1	121.7261	23.388	86	121.7261	23.388	86
956	490	849	0:SP3_SP3_SP3	N	C	P[6]	4:4:4:	3:1:1:1:	3:2:3:1:	P[6]-4:Si-4:C-4:	N-3:H-1:H-1:H-1:	C[6,6a]-3:S[6]-2:N-3:S-1:	N(P[6]C[6,6a]S[6]S)(SiC3)(CH3)	C(NP[6]Si)(H)3	P[6](C[6,6a]C[6,6,6a]C[6a])(S[6]P[6])(NSiC)(S)	N(P[6]C[6,6a]S[6]S)(SiC3)(CH3)	C(NP[6]Si)(H)3	P[6](C[6,6a]C[6,6,6a]C[6a])(S[6]P[6])(NSiC)(S){1|H<1>,1|S<1>,1|S<2>,3|C<3>}	120.3420	0.000	1	120.3420	0.000	1	120.3420	0.000	1	120.3420	0.000	1	121.7261	23.388	86	121.7261	23.388	86
956	490	849	0:SP3_SP3_SP3	N	C	P[6]	4:4:4:	3:1:1:1:	3:3:3:1:	C[6]-4:P[6]-4:C-4:	N-3:H-1:H-1:H-1:	N[6]-3:N[6]-3:N-3:O-1:	N(C[6]C[6]2H)(P[6]N[6]2O)(CH3)	C(NC[6]P[6])(H)3	P[6](N[6]C[6]H)2(NC[6]C)(O)	N(C[6]C[6]2H)(P[6]N[6]2O)(CH3)	C(NC[6]P[6])(H)3	P[6](N[6]C[6]H)2(NC[6]C)(O){1|C<4>,4|H<1>}	115.1350	0.000	1	115.1350	0.000	1	115.1350	0.000	1	115.1350	0.000	1	121.7261	23.388	86	121.7261	23.388	86
956	490	849	0:SP3_SP3_SP3	N	C	P[6]	4:4:4:	3:3:1:1:	2:2:3:1:	P[6]-4:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	N[6]-2:N[6]-2:N-3:Cl-1:	N(P[6]N[6]2Cl)(CC[6a]HH)2	C(C[6a]C[6a]2)(NP[6]C)(H)2	P[6](N[6]P[6])2(NCC)(Cl)	N(P[6]N[6]2Cl)(CC[6a]HH)2	C(C[6a]C[6a]2)(NP[6]C)(H)2	P[6](N[6]P[6])2(NCC)(Cl){1|Cl<1>,1|N<2>,1|N<3>,2|C<3>}	121.6820	2.565	4	121.3717	7.992	6	121.3717	7.992	6	121.3717	7.992	6	121.7261	23.388	86	121.7261	23.388	86
956	490	849	0:SP3_SP3_SP3	N	C	P[6]	4:4:4:	3:3:1:1:	2:2:3:1:	P[6]-4:C-4:C-4:	C[6a]-3:N-3:H-1:H-1:	N[6]-2:N[6]-2:N-3:Cl-1:	N(P[6]N[6]2Cl)(CC[6a]HH)2	C(C[6a]C[6a]2)(NP[6]C)(H)2	P[6](N[6]P[6])2(NCC)(Cl)	N(P[6]N[6]2Cl)(CC[6a]HH)2	C(C[6a]C[6a]2)(NP[6]C)(H)2	P[6](N[6]P[6])2(NCC)(Cl){3|Cl<1>,1|N<2>,1|N<3>}	120.7510	4.366	2	121.3717	7.992	6	121.3717	7.992	6	121.3717	7.992	6	121.7261	23.388	86	121.7261	23.388	86
956	490	849	0:SP3_SP3_SP3	N	C	P[6]	4:4:4:	3:4:1:1:	2:2:3:3:	P[6]-4:C-4:C-4:	N-3:C-4:H-1:H-1:	N[6]-2:N[6]-2:N-3:N-3:	N(P[6]N[6]2N)(CC[5]HH)(CCHH)	C(NP[6]C)(CCHH)(H)2	P[6](N[6]P[6])2(NCC)(NCH)	N(P[6]N[6]2N)(CC[5]HH)(CCHH)	C(NP[6]C)(CCHH)(H)2	P[6](N[6]P[6])2(NCC)(NCH){4|Cl<1>,1|N<2>}	117.1350	0.000	1	117.1350	0.000	1	118.4266	1.096	5	118.4266	1.096	5	121.7261	23.388	86	121.7261	23.388	86
956	490	849	0:SP3_SP3_SP3	N	C	P[6]	4:4:4:	3:4:1:1:	2:2:3:3:	P[6]-4:C-4:C-4:	N-3:C-4:H-1:H-1:	N[6]-2:N[6]-2:N-3:N-3:	N(P[6]N[6]2N)(CC[5]HH)(CCHH)	C(NP[6]C)(CCHH)(H)2	P[6](N[6]P[6])2(NCC)2	N(P[6]N[6]2N)(CC[5]HH)(CCHH)	C(NP[6]C)(CCHH)(H)2	P[6](N[6]P[6])2(NCC)2{1|N<2>,4|N<3>}	118.9030	1.245	2	118.7495	0.767	4	118.4266	1.096	5	118.4266	1.096	5	121.7261	23.388	86	121.7261	23.388	86
956	490	849	0:SP3_SP3_SP3	N	C	P[6]	4:4:4:	3:4:1:1:	2:2:3:3:	P[6]-4:C-4:C-4:	N-3:C-4:H-1:H-1:	N[6]-2:N[6]-2:N-3:N-3:	N(P[6]N[6]2N)(CC[5]HH)(CCHH)	C(NP[6]C)(CCHH)(H)2	P[6](N[6]P[6])2(NCC)2	N(P[6]N[6]2N)(CC[5]HH)(CCHH)	C(NP[6]C)(CCHH)(H)2	P[6](N[6]P[6])2(NCC)2{4|Cl<1>,1|N<2>}	118.5960	0.810	2	118.7495	0.767	4	118.4266	1.096	5	118.4266	1.096	5	121.7261	23.388	86	121.7261	23.388	86
956	490	849	0:SP3_SP3_SP3	N	C	P[6]	4:4:4:	3:4:1:1:	3:3:3:1:	P[6]-4:C-4:C-4:	N-3:C-4:H-1:H-1:	C[5,6]-3:C[5,6]-3:N-3:O-1:	N(P[6]C[5,6]2O)(CCHH)2	C(NP[6]C)(CH3)(H)2	P[6](C[5,6]C[5,6]N[5])2(NCC)(O)	N(P[6]C[5,6]2O)(CCHH)2	C(NP[6]C)(CH3)(H)2	P[6](C[5,6]C[5,6]N[5])2(NCC)(O){1|P<4>,2|C<3>,2|C<4>,2|N<3>}	120.0545	0.879	2	120.0545	0.773	2	120.0545	0.773	2	120.0545	0.773	2	121.7261	23.388	86	121.7261	23.388	86
956	490	849	0:SP3_SP3_SP3	N	C	P[6]	4:4:4:	4:3:1:1:	2:2:3:3:	P[6]-4:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	N[6]-2:N[6]-2:N-3:N-3:	N(P[6]N[6]2N)(CC[5]HH)(CCHH)	C(C[5]C[5]2Fe)(NP[6]C)(H)2	P[6](N[6]P[6])2(NCC)(NCH)	N(P[6]N[6]2N)(CC[5]HH)(CCHH)	C(C[5]C[5]2Fe)(NP[6]C)(H)2	P[6](N[6]P[6])2(NCC)(NCH){4|Cl<1>,1|N<2>}	123.0340	0.000	1	123.0340	0.000	1	122.3302	1.154	5	122.3302	1.154	5	121.7261	23.388	86	121.7261	23.388	86
956	490	849	0:SP3_SP3_SP3	N	C	P[6]	4:4:4:	4:3:1:1:	2:2:3:3:	P[6]-4:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	N[6]-2:N[6]-2:N-3:N-3:	N(P[6]N[6]2N)(CC[5]HH)(CCHH)	C(C[5]C[5]2Fe)(NP[6]C)(H)2	P[6](N[6]P[6])2(NCC)2	N(P[6]N[6]2N)(CC[5]HH)(CCHH)	C(C[5]C[5]2Fe)(NP[6]C)(H)2	P[6](N[6]P[6])2(NCC)2{1|N<2>,4|N<3>}	121.1870	0.450	2	122.1542	1.333	4	122.3302	1.154	5	122.3302	1.154	5	121.7261	23.388	86	121.7261	23.388	86
956	490	849	0:SP3_SP3_SP3	N	C	P[6]	4:4:4:	4:3:1:1:	2:2:3:3:	P[6]-4:C-4:C-4:	C[5]-4:N-3:H-1:H-1:	N[6]-2:N[6]-2:N-3:N-3:	N(P[6]N[6]2N)(CC[5]HH)(CCHH)	C(C[5]C[5]2Fe)(NP[6]C)(H)2	P[6](N[6]P[6])2(NCC)2	N(P[6]N[6]2N)(CC[5]HH)(CCHH)	C(C[5]C[5]2Fe)(NP[6]C)(H)2	P[6](N[6]P[6])2(NCC)2{4|Cl<1>,1|N<2>}	123.1215	0.233	2	122.1542	1.333	4	122.3302	1.154	5	122.3302	1.154	5	121.7261	23.388	86	121.7261	23.388	86