930	490	952	0:SP2_SP3_SP3	C	C	S	3:4:4:	3:1:1:1:	4:3:1:1:	C-3:S-4:C-4:	C-3:H-1:H-1:H-1:	C-4:C-3:O-1:O-1:	C(CC[5a]H)(SCOO)(CH3)	C(CCS)(H)3	S(CH3)(CCC)(O)2	C(CC[5a]H)(SCOO)(CH3)	C(CCS)(H)3	S(CH3)(CCC)(O)2	116.0695	1.730	2	116.0695	2.994	2	116.0695	2.994	2	116.0695	2.994	2	117.6866	5.112	85	117.6866	5.112	85
930	490	952	0:SP2_SP3_SP3	C	C	S	3:4:4:	3:3:3:1:	3:3:1:1:	C[3]-3:C-4:S-4:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C-3:O-1:O-1:	C(C[3]C[3]2)(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(CC[6a]O)(CC[3]S)(H)	S(C[6a]C[6a]2)(CC[3]C)(O)2	C(C[3]C[3]2)(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(CC[6a]O)(CC[3]S)(H)	S(C[6a]C[6a]2)(CC[3]C)(O)2	116.3700	0.000	1	116.3700	0.000	1	116.3700	0.000	1	116.3700	0.000	1	117.6866	5.112	85	117.6866	5.112	85
930	490	952	0:SP2_SP3_SP3	C	C	S	4:3:4:	3:1:1:1:	3:3:1:1:	S-4:C-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]O)(CH3)	C(CCS)(H)3	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CC[6a]O)(CH3)	C(CCS)(H)3	S(C[6a]C[6a]2)(CCC)(O)2	114.5090	0.000	1	114.5090	0.000	1	114.5090	0.000	1	114.5090	0.000	1	117.6866	5.112	85	117.6866	5.112	85
930	490	952	0:SP2_SP3_SP3	C	C	S	4:3:4:	3:3:1:1:	3:3:1:1:	S-4:C-3:C-4:	C-3:C-3:H-1:H-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]C)(CCHH)	C(CCS)(CNO)(H)2	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CC[6a]C)(CCHH)	C(CCS)(CNO)(H)2	S(C[6a]C[6a]2)(CCC)(O)2	114.1167	0.489	4	114.1167	0.239	4	114.1167	0.239	4	114.1167	0.239	4	117.6866	5.112	85	117.6866	5.112	85
930	490	952	0:SP2_SP3_SP3	C	C	S	4:3:4:	3:3:2:1:	4:3:1:1:	C-4:C-3:S-4:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:O-1:O-1:	C(CC[6a]HO)(CC[6a]I)(SCOO)	C(C[6a]C[6a]2)(CCS)(OH)(H)	S(CH3)(CCC)(O)2	C(CC[6a]HO)(CC[6a]I)(SCOO)	C(C[6a]C[6a]2)(CCS)(OH)(H)	S(CH3)(CCC)(O)2	113.4800	0.000	1	113.4800	0.000	1	113.4800	0.000	1	113.4800	0.000	1	117.6866	5.112	85	117.6866	5.112	85
930	490	952	0:SP2_SP3_SP3	C	C	S	4:3:4:	4:3:1:1:	3:3:1:1:	S-4:C-3:C-4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]Se)(CCHH)	C(CCHH)(CCS)(H)2	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CC[6a]Se)(CCHH)	C(CCHH)(CCS)(H)2	S(C[6a]C[6a]2)(CCC)(O)2	113.4460	0.000	1	113.4460	0.000	1	113.4460	0.000	1	113.4460	0.000	1	117.6866	5.112	85	117.6866	5.112	85
930	490	952	0:SP2_SP3_SP3	C	C	S	4:4:3:	3:4:3:1:	3:3:1:1:	C-4:S-4:C-3:	C[5a]-3:C-4:C-3:H-1:	C[6a]-3:C-3:O-1:O-1:	C(CC[5a]CH)(SC[6a]OO)(CHN)	C(C[5a]C[5a]N[5a])(CCHH)(CCS)(H)	S(C[6a]C[6a]2)(CCC)(O)2	C(CC[5a]CH)(SC[6a]OO)(CHN)	C(C[5a]C[5a]N[5a])(CCHH)(CCS)(H)	S(C[6a]C[6a]2)(CCC)(O)2	115.5660	0.000	1	115.5660	0.000	1	115.5660	0.000	1	114.9800	0.687	2	117.6866	5.112	85	117.6866	5.112	85
930	490	952	0:SP2_SP3_SP3	C	C	S	4:4:3:	3:4:3:1:	3:3:1:1:	C-4:S-4:C-3:	N[5a]-3:C-4:C-3:H-1:	C[6a]-3:C-3:O-1:O-1:	C(CN[5a]CH)(SC[6a]OO)(CCH)	C(N[5a]C[5a]N[5a])(CCHH)(CCS)(H)	S(C[6a]C[6a]2)(CCC)(O)2	C(CN[5a]CH)(SC[6a]OO)(CCH)	C(N[5a]C[5a]N[5a])(CCHH)(CCS)(H)	S(C[6a]C[6a]2)(CCC)(O)2	114.3940	0.000	1	114.3940	0.000	1	114.3940	0.000	1	114.9800	0.687	2	117.6866	5.112	85	117.6866	5.112	85
930	490	952	0:SP2_SP3_SP3	C	C	S	4:4:3:	4:3:1:1:	3:3:1:1:	S-4:C-4:C-3:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CCHH)(CCH)	C(CH3)(CCS)(H)2	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CCHH)(CCH)	C(CH3)(CCS)(H)2	S(C[6a]C[6a]2)(CCC)(O)2	113.0460	0.000	1	113.0460	0.000	1	115.4443	4.817	3	115.4443	4.817	3	117.6866	5.112	85	117.6866	5.112	85
930	490	952	0:SP2_SP3_SP3	C	C	S	4:4:3:	4:3:1:1:	3:3:1:1:	S-4:C-4:C-3:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CCHH)(CHH)	C(CC[6a]HN)(CCS)(H)2	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CCHH)(CHH)	C(CC[6a]HN)(CCS)(H)2	S(C[6a]C[6a]2)(CCC)(O)2	116.6435	1.003	2	116.6435	1.007	2	115.4443	4.817	3	115.4443	4.817	3	117.6866	5.112	85	117.6866	5.112	85
930	490	952	0:SP2_SP3_SP3	C	C	S	4:4:3:	4:4:3:1:	3:3:1:1:	S-4:C-4:C-3:	C-4:C-4:C-3:H-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CCCH)(CCH)	C(CCCH)(CCHO)(CCS)(H)	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CCCH)(CCH)	C(CCCH)(CCHO)(CCS)(H)	S(C[6a]C[6a]2)(CCC)(O)2	115.4290	0.000	1	115.4290	0.000	1	115.3270	0.905	17	115.3270	0.905	17	117.6866	5.112	85	117.6866	5.112	85
930	490	952	0:SP2_SP3_SP3	C	C	S	4:4:3:	4:4:3:1:	3:3:1:1:	S-4:C-4:C-3:	C-4:C-4:C-3:H-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CCCH)(CCH)	C(CCHH)(CH3)(CCS)(H)	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CCCH)(CCH)	C(CCHH)(CH3)(CCS)(H)	S(C[6a]C[6a]2)(CCC)(O)2	115.4677	1.144	7	115.4677	1.309	7	115.3270	0.905	17	115.3270	0.905	17	117.6866	5.112	85	117.6866	5.112	85
930	490	952	0:SP2_SP3_SP3	C	C	S	4:4:3:	4:4:3:1:	3:3:1:1:	S-4:C-4:C-3:	C-4:C-4:C-3:H-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CCCH)(CCH)	C(CCHO)(CH3)(CCS)(H)	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CCCH)(CCH)	C(CCHO)(CH3)(CCS)(H)	S(C[6a]C[6a]2)(CCC)(O)2	115.2062	0.891	9	115.2062	0.793	9	115.3270	0.905	17	115.3270	0.905	17	117.6866	5.112	85	117.6866	5.112	85
930	490	952	0:SP2_SP3_SP3	C	C	S	4:4:4:	3:3:1:1:	4:3:1:1:	C-4:S-4:S-4:	C[5]-3:C-3:H-1:H-1:	C-4:C-3:O-1:O-1:	C(CC[5]HH)(SCOO)2	C(C[5]C[5]2)(CSS)(H)2	S(CF3)(CCS)(O)2	C(CC[5]HH)(SCOO)2	C(C[5]C[5]2)(CSS)(H)2	S(CF3)(CCS)(O)2	119.8175	0.654	13	119.8175	0.428	13	119.8175	0.428	13	119.2471	0.841	53	117.6866	5.112	85	117.6866	5.112	85
930	490	952	0:SP2_SP3_SP3	C	C	S	4:4:4:	3:3:1:1:	4:3:1:1:	C-4:S-4:S-4:	N[5]-3:C-3:H-1:H-1:	C-4:C-3:O-1:O-1:	C(CN[5]HH)(SCOO)2	C(N[5]C[5]2)(CSS)(H)2	S(CF3)(CCS)(O)2	C(CN[5]HH)(SCOO)2	C(N[5]C[5]2)(CSS)(H)2	S(CF3)(CCS)(O)2	119.4115	0.579	8	119.4115	0.335	8	119.4022	0.270	10	119.2471	0.841	53	117.6866	5.112	85	117.6866	5.112	85
930	490	952	0:SP2_SP3_SP3	C	C	S	4:4:4:	3:3:1:1:	4:3:1:1:	C-4:S-4:S-4:	N[5]-3:C-3:H-1:H-1:	C-4:C-3:O-1:O-1:	C(CN[5]HH)(SCOO)2	C(N[5]C[5]N[5])(CSS)(H)2	S(CF3)(CCS)(O)2	C(CN[5]HH)(SCOO)2	C(N[5]C[5]N[5])(CSS)(H)2	S(CF3)(CCS)(O)2	119.3650	0.288	2	119.3650	0.083	2	119.4022	0.270	10	119.2471	0.841	53	117.6866	5.112	85	117.6866	5.112	85
930	490	952	0:SP2_SP3_SP3	C	C	S	4:4:4:	3:3:1:1:	4:3:1:1:	C-4:S-4:S-4:	N[6]-3:C-3:H-1:H-1:	C-4:C-3:O-1:O-1:	C(CN[6]HH)(SCOO)2	C(N[6]C[6,6a]C[6])(CSS)(H)2	S(CF3)(CCS)(O)2	C(CN[6]HH)(SCOO)2	C(N[6]C[6,6a]C[6])(CSS)(H)2	S(CF3)(CCS)(O)2	118.0760	1.031	2	118.0760	1.063	2	118.9482	1.000	30	119.2471	0.841	53	117.6866	5.112	85	117.6866	5.112	85
930	490	952	0:SP2_SP3_SP3	C	C	S	4:4:4:	3:3:1:1:	4:3:1:1:	C-4:S-4:S-4:	N[6]-3:C-3:H-1:H-1:	C-4:C-3:O-1:O-1:	C(CN[6]HH)(SCOO)2	C(N[6]C[6]2)(CSS)(H)2	S(CF3)(CCS)(O)2	C(CN[6]HH)(SCOO)2	C(N[6]C[6]2)(CSS)(H)2	S(CF3)(CCS)(O)2	119.0105	0.987	28	119.0105	0.975	28	118.9482	1.000	30	119.2471	0.841	53	117.6866	5.112	85	117.6866	5.112	85
930	490	953	0:SP2_SP-NON_SP3	C	C	I	2:4:3:	4:3:1:1:	3:3:	I-2:C-4:C-3:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:	C(IC[6a])(CCHH)(CClC)	C(CH3)(CCI)(H)2	I(C[6a]C[6a]2)(CCC)	C(IC[6a])(CCHH)(CClC)	C(CH3)(CCI)(H)2	I(C[6a]C[6a]2)(CCC)	112.7080	0.000	1	112.7080	0.000	1	112.7080	0.000	1	112.7080	0.000	1	114.7533	3.390	3	114.7533	3.390	3
930	490	953	0:SP2_SP-NON_SP3	C	C	I	2:4:3:	4:4:3:1:	3:3:	I-2:C-4:C-3:	C-4:C-4:C-3:H-1:	C[6a]-3:C-3:	C(IC[6a])(CCCH)(CCO)	C(CH3)2(CCI)(H)	I(C[6a]C[6a]2)(CCC)	C(IC[6a])(CCCH)(CCO)	C(CH3)2(CCI)(H)	I(C[6a]C[6a]2)(CCC)	116.2780	0.000	1	116.2780	0.000	1	116.2780	0.000	1	116.2780	0.000	1	114.7533	3.390	3	114.7533	3.390	3
930	490	953	0:SP2_SP-NON_SP3	C	C	I	3:2:4:	3:1:1:1:	3:3:	C-3:I-2:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:	C(CC[6a]O)(IC[6a])(CH3)	C(CCI)(H)3	I(C[6a]C[6a]2)(CCC)	C(CC[6a]O)(IC[6a])(CH3)	C(CCI)(H)3	I(C[6a]C[6a]2)(CCC)	115.2740	0.000	1	115.2740	0.000	1	115.2740	0.000	1	115.2740	0.000	1	114.7533	3.390	3	114.7533	3.390	3
930	490	955	0:SP2_SP3_SP3	C	C	P[5]	4:4:3:	3:3:1:1:	3:3:3:1:	P[5]-4:C-4:C-3:	C-3:C-3:H-1:H-1:	N[5]-3:N[5]-3:C-3:O-1:	C(P[5]N[5]2O)(CCHH)(CHH)	C(CP[5]C)(COO)(H)2	P[5](N[5]C[6a]C[5])2(CCC)(O)	C(P[5]N[5]2O)(CCHH)(CHH)	C(CP[5]C)(COO)(H)2	P[5](N[5]C[6a]C[5])2(CCC)(O){4|C<3>,4|H<1>}	119.0310	0.000	1	119.0310	0.000	1	119.0310	0.000	1	119.0310	0.000	1	119.0310	0.000	1	119.0310	0.000	1
930	490	956	0:SP2_SP2_SP3	C	C	N	2:4:3:	3:1:1:1:	3:1:1:	N-2:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:H-1:H-1:	C(NC[6a])(CH3)(NHH)	C(CNN)(H)3	N(CCN)(H)2	C(NC[6a])(CH3)(NHH)	C(CNN)(H)3	N(CCN)(H)2	115.1370	0.000	1	115.1370	0.000	1	115.1370	0.000	1	115.1370	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	2:4:3:	3:1:1:1:	4:3:3:	N-2:C-4:N-3:	C-3:H-1:H-1:H-1:	C-4:C-3:C-3:	C(NC[6a])(CH3)(NCC)	C(CNN)(H)3	N(CCHH)(CCN)(CNN)	C(NC[6a])(CH3)(NCC)	C(CNN)(H)3	N(CCHH)(CCN)(CNN)	116.3560	0.000	1	116.3560	0.000	1	116.3560	0.000	1	116.3560	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	2:4:3:	3:1:1:1:	4:4:3:	N-2:C-4:N-3:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(NC[5a])(CH3)(NCC)	C(CNN)(H)3	N(CH3)2(CCN)	C(NC[5a])(CH3)(NCC)	C(CNN)(H)3	N(CH3)2(CCN)	118.0780	0.000	1	118.0780	0.000	1	117.4920	0.687	2	117.4920	0.687	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	2:4:3:	3:1:1:1:	4:4:3:	N-2:C-4:N-3:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(NC[6])(CH3)(NCC)	C(CNN)(H)3	N(CCHH)2(CCN)	C(NC[6])(CH3)(NCC)	C(CNN)(H)3	N(CCHH)2(CCN)	116.9060	0.000	1	116.9060	0.000	1	117.4920	0.687	2	117.4920	0.687	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	2:4:3:	3:3:3:1:	3:1:1:	N-2:C-4:N-3:	C-3:N-3:N-3:Cl-1:	C-3:H-1:H-1:	C(NN[5a])(CClNN)(NHH)	C(CNN)(NOO)2(Cl)	N(CCN)(H)2	C(NN[5a])(CClNN)(NHH)	C(CNN)(NOO)2(Cl)	N(CCN)(H)2	117.3980	0.000	1	117.3980	0.000	1	117.3980	0.000	1	117.3980	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	2:4:3:	4:3:1:1:	4:4:3:	N-2:C-4:N-3:	Si-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(NC[6a])(CSiHH)(NCC)	C(SiC3)(CNN)(H)2	N(CCHH)2(CCN)	C(NC[6a])(CSiHH)(NCC)	C(SiC3)(CNN)(H)2	N(CCHH)2(CCN)	118.7850	0.000	1	118.7850	0.000	1	118.7850	0.000	1	118.7850	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	2:4:3:	4:4:4:3:	4:3:1:	N-2:C-4:N-3:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(NC[6a])(CC3)(NCH)	C(CH3)3(CNN)	N(CCHH)(CCN)(H)	C(NC[6a])(CC3)(NCH)	C(CH3)3(CNN)	N(CCHH)(CCN)(H)	113.9825	0.228	2	113.9825	0.052	2	113.6258	0.208	5	113.6258	0.208	5	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	2:4:3:	4:4:4:3:	4:3:1:	N-2:C-4:N-3:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(NC[6a])(CC3)(NCH)	C(CH3)3(CNN)	N(CC[5a]HH)(CCN)(H)	C(NC[6a])(CC3)(NCH)	C(CH3)3(CNN)	N(CC[5a]HH)(CCN)(H)	113.7420	0.000	1	113.7420	0.000	1	113.6258	0.208	5	113.6258	0.208	5	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	2:4:3:	4:4:4:3:	4:3:1:	N-2:C-4:N-3:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(NC[6a])(CC3)(NCH)	C(CH3)3(CNN)	N(CC[6a]CH)(CCN)(H)	C(NC[6a])(CC3)(NCH)	C(CH3)3(CNN)	N(CC[6a]CH)(CCN)(H)	113.2110	0.407	2	113.2110	0.166	2	113.6258	0.208	5	113.6258	0.208	5	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:2:4:	3:1:1:1:	3:3:1:	N-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[5])(CH3)	C(CNN)(H)3	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NC[5])(CH3)	C(CNN)(H)3	N(C[6a]C[6a]2)(CCN)(H)	115.6510	0.000	1	115.6510	0.000	1	115.7690	10.784	6	115.7690	10.784	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:2:4:	3:1:1:1:	3:3:1:	N-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6])(CH3)	C(CNN)(H)3	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NC[6])(CH3)	C(CNN)(H)3	N(C[6a]C[6a]2)(CCN)(H)	117.9810	0.000	1	117.9810	0.000	1	115.7690	10.784	6	115.7690	10.784	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:2:4:	3:1:1:1:	3:3:1:	N-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6a])(CH3)	C(CNN)(H)3	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NC[6a])(CH3)	C(CNN)(H)3	N(C[6a]C[6a]2)(CCN)(H)	115.2455	3.997	4	115.2455	15.973	4	115.7690	10.784	6	115.7690	10.784	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:2:4:	3:1:1:1:	3:3:3:	N-3:N-2:C-4:	C-3:F-1:F-1:F-1:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(NC[6a])(CF3)	C(CNN)(F)3	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCN)	C(NC[6a]2)(NC[6a])(CF3)	C(CNN)(F)3	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCN)	117.2910	0.000	1	117.2910	0.000	1	117.2910	0.000	1	117.2337	0.155	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:2:4:	3:1:1:1:	3:3:3:	N-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(NC[6a])(CH3)	C(CNN)(H)3	N(C[6a]C[6a]2)(CC[5a]C)(CCN)	C(NC[6a]C)(NC[6a])(CH3)	C(CNN)(H)3	N(C[6a]C[6a]2)(CC[5a]C)(CCN)	116.8140	0.000	1	116.8140	0.000	1	116.8140	0.000	1	117.2337	0.155	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:2:4:	3:1:1:1:	3:3:3:	N-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(NC[6a])(CH3)	C(CNN)(H)3	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCN)	C(NC[6a]2)(NC[6a])(CH3)	C(CNN)(H)3	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(CCN)	117.5960	0.000	1	117.5960	0.000	1	117.5960	0.000	1	117.2337	0.155	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:2:4:	3:1:1:1:	4:3:3:	N-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[6]-4:P-3:C-3:	C(NC[6]P)(NC[6])(CH3)	C(CNN)(H)3	N(C[6]C[6]2H)(PC[6a]2)(CCN)	C(NC[6]P)(NC[6])(CH3)	C(CNN)(H)3	N(C[6]C[6]2H)(PC[6a]2)(CCN)	116.0300	0.000	1	116.0300	0.000	1	116.0300	0.000	1	116.0300	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:2:4:	3:1:1:1:	4:4:3:	N-3:N-2:C-4:	C-3:H-1:H-1:H-1:	C[6]-4:Ge-4:C-3:	C(NC[6]Ge)(NC[6])(CH3)	C(CNN)(H)3	N(C[6]C[6]2H)(GeSe2N)(CCN)	C(NC[6]Ge)(NC[6])(CH3)	C(CNN)(H)3	N(C[6]C[6]2H)(GeSe2N)(CCN)	118.3420	0.000	1	118.3420	0.000	1	118.3420	0.000	1	118.3420	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:2:4:	4:3:1:1:	3:3:1:	N-3:N-2:C-4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6a])(CCHH)	C(CH3)(CNN)(H)2	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NC[6a])(CCHH)	C(CH3)(CNN)(H)2	N(C[6a]C[6a]2)(CCN)(H)	112.8530	0.280	2	112.8530	0.078	2	112.8530	0.078	2	112.8530	0.078	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:2:4:	4:4:3:1:	3:3:1:	N-3:N-2:C-4:	C-4:C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6a])(CCCH)	C(CH3)2(CNN)(H)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NC[6a])(CCCH)	C(CH3)2(CNN)(H)	N(C[6a]C[6a]2)(CCN)(H)	115.2030	0.436	3	115.2030	0.190	3	115.2030	0.190	3	115.2030	0.190	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:2:4:	4:4:4:3:	3:3:1:	N-3:N-2:C-4:	C-4:C-4:C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6a])(CC3)	C(CH3)3(CNN)	N(C[6a]C[6a,6a]C[6a])(CCN)(H)	C(NC[6a]H)(NC[6a])(CC3)	C(CH3)3(CNN)	N(C[6a]C[6a,6a]C[6a])(CCN)(H)	114.5690	0.000	1	114.5690	0.000	1	113.0901	1.359	8	113.0901	1.359	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:2:4:	4:4:4:3:	3:3:1:	N-3:N-2:C-4:	C-4:C-4:C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6a])(CC3)	C(CH3)3(CNN)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NC[6a])(CC3)	C(CH3)3(CNN)	N(C[6a]C[6a]2)(CCN)(H)	112.8789	1.081	7	112.8789	1.169	7	113.0901	1.359	8	113.0901	1.359	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:2:4:	4:4:4:3:	4:3:1:	N-3:N-2:C-4:	C-4:C-4:C-4:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(NC[6a])(CC3)	C(CH3)3(CNN)	N(C[6]C[6]2H)(CCN)(H)	C(NC[6]H)(NC[6a])(CC3)	C(CH3)3(CNN)	N(C[6]C[6]2H)(CCN)(H)	114.2600	0.000	1	114.2600	0.000	1	114.2600	0.000	1	114.2600	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N-3:C-4:	C-3:F-1:F-1:F-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5]2)(NC[6a]H)(CF3)	C(CC[5]N)(F)3	N(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5]2)(NC[6a]H)(CF3)	C(CC[5]N)(F)3	N(C[6a]C[6a]2)(CC[5]C)(H)	112.7580	0.000	1	112.7580	0.000	1	112.7580	0.000	1	118.4210	4.234	28	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[5a]-3:C-3:H-1:	C(C[5]C[5]2)(NC[5a]H)(CH3)	C(CC[5]N)(H)3	N(C[5a]C[5a]2)(CC[5]C)(H)	C(C[5]C[5]2)(NC[5a]H)(CH3)	C(CC[5]N)(H)3	N(C[5a]C[5a]2)(CC[5]C)(H)	119.5690	0.000	1	119.5690	0.000	1	119.2407	0.229	3	118.4210	4.234	28	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[5a]-3:C-3:H-1:	C(C[5]C[5]2)(NC[5a]H)(CH3)	C(CC[5]N)(H)3	N(C[5a]C[5a]N[5a])(CC[5]C)(H)	C(C[5]C[5]2)(NC[5a]H)(CH3)	C(CC[5]N)(H)3	N(C[5a]C[5a]N[5a])(CC[5]C)(H)	119.0765	0.544	2	119.0765	0.296	2	119.2407	0.229	3	118.4210	4.234	28	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:3:4:	3:1:1:1:	3:3:1:	C[5]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5]2)(NC[6a]H)(CH3)	C(CC[5]N)(H)3	N(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5]2)(NC[6a]H)(CH3)	C(CC[5]N)(H)3	N(C[6a]C[6a]2)(CC[5]C)(H)	119.7542	0.172	4	119.7542	0.030	4	119.7542	0.030	4	118.4210	4.234	28	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6,6]N[6])(NC[6a]H)(CH3)	C(CC[6]N)(H)3	N(C[6a]C[6a]2)(CC[6]C)(H)	C(C[6]C[6,6]N[6])(NC[6a]H)(CH3)	C(CC[6]N)(H)3	N(C[6a]C[6a]2)(CC[6]C)(H)	117.4090	0.000	1	117.4090	0.000	1	118.5284	0.335	12	118.4210	4.234	28	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6,6a]C[6])(NC[6a]H)(CH3)	C(CC[6]N)(H)3	N(C[6a]C[6a]2)(CC[6]C)(H)	C(C[6]C[6,6a]C[6])(NC[6a]H)(CH3)	C(CC[6]N)(H)3	N(C[6a]C[6a]2)(CC[6]C)(H)	119.1130	0.000	1	119.1130	0.000	1	118.5284	0.335	12	118.4210	4.234	28	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:3:4:	3:1:1:1:	3:3:1:	C[6]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6]2)(NC[6a]H)(CH3)	C(CC[6]N)(H)3	N(C[6a]C[6a]2)(CC[6]C)(H)	C(C[6]C[6]2)(NC[6a]H)(CH3)	C(CC[6]N)(H)3	N(C[6a]C[6a]2)(CC[6]C)(H)	118.5819	0.478	10	118.5819	0.229	10	118.5284	0.335	12	118.4210	4.234	28	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)	C(CC[6a]N)(H)3	N(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]N[6a])(NC[6a]H)(CH3)	C(CC[6a]N)(H)3	N(C[6a]C[6a]2)(CC[6a]C)(H)	121.3580	0.000	1	121.3580	0.000	1	121.3580	0.000	1	118.4210	4.234	28	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:3:4:	3:1:1:1:	3:3:1:	C[6a]-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(NC[6a]O)(CH3)	C(CC[6a]N)(H)3	N(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(NC[6a]O)(CH3)	C(CC[6a]N)(H)3	N(C[6a]C[6a]2)(CC[6a]C)(O)	123.2710	0.000	1	123.2710	0.000	1	123.2710	0.000	1	118.4210	4.234	28	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:3:4:	3:1:1:1:	3:3:1:	N-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6]-3:C-3:H-1:	C(NC[6]H)(NPdH)(CH3)	C(CNN)(H)3	N(C[6]N[6]2)(CCN)(H)	C(NC[6]H)(NPdH)(CH3)	C(CNN)(H)3	N(C[6]N[6]2)(CCN)(H)	115.8620	0.000	1	115.8620	0.000	1	115.3320	0.562	2	118.4210	4.234	28	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:3:4:	3:1:1:1:	3:3:1:	N-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6]-3:C-3:H-1:	C(NC[6]H)(NReH)(CH3)	C(CNN)(H)3	N(C[6]C[6]N[6])(CCN)(H)	C(NC[6]H)(NReH)(CH3)	C(CNN)(H)3	N(C[6]C[6]N[6])(CCN)(H)	114.8020	0.000	1	114.8020	0.000	1	115.3320	0.562	2	118.4210	4.234	28	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:3:4:	3:1:1:1:	3:3:1:	N-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]B)(NC[6a]H)(CH3)	C(CNN)(H)3	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]B)(NC[6a]H)(CH3)	C(CNN)(H)3	N(C[6a]C[6a]2)(CCN)(H)	118.4520	0.000	1	118.4520	0.000	1	117.1640	3.547	4	118.4210	4.234	28	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:3:4:	3:1:1:1:	3:3:1:	N-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NReH)(CH3)	C(CNN)(H)3	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NReH)(CH3)	C(CNN)(H)3	N(C[6a]C[6a]2)(CCN)(H)	119.1050	0.000	1	119.1050	0.000	1	117.1640	3.547	4	118.4210	4.234	28	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:3:4:	3:1:1:1:	3:3:1:	N-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NRhH)(CH3)	C(CNN)(H)3	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NRhH)(CH3)	C(CNN)(H)3	N(C[6a]C[6a]2)(CCN)(H)	115.5210	0.000	1	115.5210	0.000	1	117.1640	3.547	4	118.4210	4.234	28	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:3:4:	3:1:1:1:	3:3:1:	N-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]Mo)(NC[6a]H)(CH3)	C(CNN)(H)3	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]Mo)(NC[6a]H)(CH3)	C(CNN)(H)3	N(C[6a]C[6a]2)(CCN)(H)	115.5780	0.000	1	115.5780	0.000	1	117.1640	3.547	4	118.4210	4.234	28	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:3:4:	3:1:1:1:	3:3:3:	N-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:C-3:	C(NC[6a]Al)(NC[6a]C)(CH3)	C(CNN)(H)3	N(C[6a]C[6a]2)(CCN)2	C(NC[6a]Al)(NC[6a]C)(CH3)	C(CNN)(H)3	N(C[6a]C[6a]2)(CCN)2	118.7030	0.000	1	118.7030	0.000	1	117.8533	0.486	4	117.8533	0.486	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:3:4:	3:1:1:1:	3:3:3:	N-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(NPdH)(CH3)	C(CNN)(H)3	N(C[6a]C[6a]2)(CCN)(CHN)	C(NC[6a]C)(NPdH)(CH3)	C(CNN)(H)3	N(C[6a]C[6a]2)(CCN)(CHN)	117.5700	0.497	3	117.5700	0.247	3	117.8533	0.486	4	117.8533	0.486	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:3:4:	3:1:1:1:	3:4:3:	N-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:B-4:C-3:	C(NC[6a]B)(NC[6a]H)(CH3)	C(CNN)(H)3	N(C[6a]C[6a]2)(BC[6a]2H)(CCN)	C(NC[6a]B)(NC[6a]H)(CH3)	C(CNN)(H)3	N(C[6a]C[6a]2)(BC[6a]2H)(CCN)	121.6400	0.000	1	121.6400	0.000	1	121.6400	0.000	1	121.6400	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:3:4:	3:1:1:1:	4:3:1:	N-3:C-3:C-4:	C-3:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CBrC)(CH3)	C(CCN)(H)3	N(C[6]C[6]2H)(CCC)(H)	C(NC[6]H)(CBrC)(CH3)	C(CCN)(H)3	N(C[6]C[6]2H)(CCC)(H)	117.4138	1.027	4	117.4138	1.054	4	117.4138	1.054	4	117.4138	1.054	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:3:4:	3:1:1:1:	4:4:3:	N-3:N-3:C-4:	C-3:H-1:H-1:H-1:	B[6]-4:C-4:C-3:	C(NB[6]C)(NCrC)(CH3)	C(CNN)(H)3	N(B[6]C[6]2Cr)(CCCH)(CCN)	C(NB[6]C)(NCrC)(CH3)	C(CNN)(H)3	N(B[6]C[6]2Cr)(CCCH)(CCN)	117.8987	0.293	3	117.8987	0.086	3	117.8987	0.086	3	117.9188	0.059	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:3:4:	3:1:1:1:	4:4:3:	N-3:N-3:C-4:	C-3:H-1:H-1:H-1:	C[6]-4:P-4:C-3:	C(NC[6]Pd)(NC[6]P)(CH3)	C(CNN)(H)3	N(C[6]C[6]2H)(PC[6a]2Pd)(CCN)	C(NC[6]Pd)(NC[6]P)(CH3)	C(CNN)(H)3	N(C[6]C[6]2H)(PC[6a]2Pd)(CCN)	117.9790	0.000	1	117.9790	0.000	1	117.9790	0.000	1	117.9188	0.059	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:3:4:	3:2:1:1:	3:3:1:	C-3:N-3:C-4:	C-3:O-2:H-1:H-1:	C[6a]-3:C-3:O-1:	C(CC[6a]O)(NC[6a]O)(CHHO)	C(CCN)(OH)(H)2	N(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]O)(NC[6a]O)(CHHO)	C(CCN)(OH)(H)2	N(C[6a]C[6a]2)(CCC)(O)	120.5830	0.000	1	120.5830	0.000	1	120.5830	0.000	1	120.5830	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:3:4:	3:3:1:1:	3:3:3:	C-3:N-3:C-4:	N-3:C-3:H-1:H-1:	C[6a]-3:C-3:C-3:	C(CC[6a]H)(NC[6a]C)(CHHN)	C(NC[6a]H)(CCN)(H)2	N(C[6a]C[6a]2)(CC[6a]O)(CCC)	C(CC[6a]H)(NC[6a]C)(CHHN)	C(NC[6a]H)(CCN)(H)2	N(C[6a]C[6a]2)(CC[6a]O)(CCC)	113.5470	0.000	1	113.5470	0.000	1	113.5470	0.000	1	113.5470	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:3:4:	3:3:3:1:	3:3:1:	C[6a]-3:N-3:C-4:	C-3:C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)	C(CC[6a]N)(CCN)(COO)(H)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCCH)	C(CC[6a]N)(CCN)(COO)(H)	N(C[6a]C[6a]2)(CC[6a]C)(H)	110.3170	0.000	1	110.3170	0.000	1	110.3170	0.000	1	110.3170	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:3:4:	3:4:1:1:	3:3:1:	C[5]-3:N-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5]2)(NC[6a]H)(CCHH)	C(CC[5]N)(CH3)(H)2	N(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5]2)(NC[6a]H)(CCHH)	C(CC[5]N)(CH3)(H)2	N(C[6a]C[6a]2)(CC[5]C)(H)	119.9413	1.452	3	119.9413	2.110	3	119.9413	2.110	3	119.2313	3.423	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:3:4:	3:4:1:1:	3:3:1:	C[6]-3:N-3:C-4:	C-3:C-4:H-1:H-1:	C[6a]-3:C-3:H-1:	C(C[6]C[6]2)(NC[6a]H)(CCHH)	C(CC[6]N)(CCCN)(H)2	N(C[6a]C[6a]2)(CC[6]C)(H)	C(C[6]C[6]2)(NC[6a]H)(CCHH)	C(CC[6]N)(CCCN)(H)2	N(C[6a]C[6a]2)(CC[6]C)(H)	117.1010	0.000	1	117.1010	0.000	1	117.1010	0.000	1	119.2313	3.423	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:3:4:	4:3:1:1:	4:3:1:	N-3:N-3:C-4:	C-4:C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)2(CCHH)	C(CCHH)(CNN)(H)2	N(C[6]C[6]2H)(CCN)(H)	C(NC[6]H)2(CCHH)	C(CCHH)(CNN)(H)2	N(C[6]C[6]2H)(CCN)(H)	119.0310	2.879	2	119.0310	8.291	2	119.0310	8.291	2	119.0310	8.291	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:3:4:	4:4:4:3:	3:3:1:	N-3:N-3:C-4:	C-4:C-4:C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(CC3)	C(CH3)3(CNN)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)2(CC3)	C(CH3)3(CNN)	N(C[6a]C[6a]2)(CCN)(H)	121.3868	5.830	4	121.3868	33.990	4	121.3868	33.990	4	121.3868	33.990	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	2:3:1:1:	3:3:1:	N-3:C-4:O-1:	O-2:C-3:H-1:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CHHO)(O)	C(OC[6a])(CNO)(H)2	N(C[5a]C[5a]2)(CCO)(H)	C(NC[5a]H)(CHHO)(O)	C(OC[6a])(CNO)(H)2	N(C[5a]C[5a]2)(CCO)(H)	115.9117	1.553	3	115.9117	2.412	3	114.0174	9.233	5	115.0649	2.776	97	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	2:3:1:1:	3:3:1:	N-3:C-4:O-1:	O-2:C-3:H-1:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CHHO)(O)	C(OC[6a])(CNO)(H)2	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CHHO)(O)	C(OC[6a])(CNO)(H)2	N(C[5a]N[5a]S[5a])(CCO)(H)	111.1760	2.280	2	111.1760	5.197	2	114.0174	9.233	5	115.0649	2.776	97	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	2:3:1:1:	3:3:1:	N-3:C-4:O-1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHO)(O)	C(OC[5a])(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHO)(O)	C(OC[5a])(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	116.6320	0.000	1	116.6320	0.000	1	115.5254	2.160	54	115.0649	2.776	97	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	2:3:1:1:	3:3:1:	N-3:C-4:O-1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHO)(O)	C(OC[6a])(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CHHO)(O)	C(OC[6a])(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	114.6715	1.832	4	114.6715	3.355	4	115.5254	2.160	54	115.0649	2.776	97	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	2:3:1:1:	3:3:1:	N-3:C-4:O-1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHO)(O)	C(OC[6a])(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHO)(O)	C(OC[6a])(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	115.5626	1.591	38	115.5626	2.531	38	115.5254	2.160	54	115.0649	2.776	97	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	2:3:1:1:	3:3:1:	N-3:C-4:O-1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHO)(O)	C(OC[6a])(CNO)(H)2	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CHHO)(O)	C(OC[6a])(CNO)(H)2	N(C[6a]C[6a]N[6a])(CCO)(H)	115.6065	0.808	11	115.6065	0.652	11	115.5254	2.160	54	115.0649	2.776	97	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	2:3:1:1:	3:3:1:	N-3:C-4:O-1:	O-2:C-3:H-1:H-1:	N[5]-3:C-3:H-1:	C(NN[5]H)(CHHO)(O)	C(OC[6a])(CNO)(H)2	N(N[5]C[5,6]C[5])(CCO)(H)	C(NN[5]H)(CHHO)(O)	C(OC[6a])(CNO)(H)2	N(N[5]C[5,6]C[5])(CCO)(H)	115.0020	0.000	1	115.0020	0.000	1	115.0020	0.000	1	115.0649	2.776	97	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	2:3:1:1:	3:3:1:	N-3:C-4:O-1:	O-2:C-3:H-1:H-1:	N[6]-3:C-3:H-1:	C(NN[6]H)(CHHO)(O)	C(OC[6a])(CNO)(H)2	N(N[6]C[6]2)(CCO)(H)	C(NN[6]H)(CHHO)(O)	C(OC[6a])(CNO)(H)2	N(N[6]C[6]2)(CCO)(H)	113.8650	0.000	1	113.8650	0.000	1	113.8650	0.000	1	115.0649	2.776	97	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	2:3:1:1:	3:3:1:	N-3:C-4:O-1:	S-2:C-3:H-1:H-1:	C[6]-3:C-3:H-1:	C(NC[6]H)(CHHS)(O)	C(SC[5])(CNO)(H)2	N(C[6]C[6]2)(CCO)(H)	C(NC[6]H)(CHHS)(O)	C(SC[5])(CNO)(H)2	N(C[6]C[6]2)(CCO)(H)	112.7430	0.000	1	112.7430	0.000	1	112.7430	0.000	1	115.0649	2.776	97	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	2:3:1:1:	3:3:1:	N-3:C-4:O-1:	S-2:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHS)(O)	C(SC[5a])(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CHHS)(O)	C(SC[5a])(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	117.2495	0.899	2	117.2495	0.808	2	114.6065	2.471	35	115.0649	2.776	97	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	2:3:1:1:	3:3:1:	N-3:C-4:O-1:	S-2:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHS)(O)	C(SC[5a])(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHS)(O)	C(SC[5a])(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	114.5168	2.109	11	114.5168	4.448	11	114.6065	2.471	35	115.0649	2.776	97	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	2:3:1:1:	3:3:1:	N-3:C-4:O-1:	S-2:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHS)(O)	C(SC[5a])(CNO)(H)2	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CHHS)(O)	C(SC[5a])(CNO)(H)2	N(C[6a]C[6a]N[6a])(CCO)(H)	113.9370	0.000	1	113.9370	0.000	1	114.6065	2.471	35	115.0649	2.776	97	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	2:3:1:1:	3:3:1:	N-3:C-4:O-1:	S-2:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHS)(O)	C(SC[6a])(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CHHS)(O)	C(SC[6a])(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	114.6940	0.000	1	114.6940	0.000	1	114.6065	2.471	35	115.0649	2.776	97	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	2:3:1:1:	3:3:1:	N-3:C-4:O-1:	S-2:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHS)(O)	C(SC[6a])(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHS)(O)	C(SC[6a])(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	114.4460	1.169	18	114.4460	1.367	18	114.6065	2.471	35	115.0649	2.776	97	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	2:3:1:1:	3:3:1:	N-3:C-4:O-1:	S-2:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHS)(O)	C(SC[6a])(CNO)(H)2	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CHHS)(O)	C(SC[6a])(CNO)(H)2	N(C[6a]C[6a]N[6a])(CCO)(H)	114.1915	0.385	2	114.1915	0.149	2	114.6065	2.471	35	115.0649	2.776	97	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	2:3:1:1:	3:3:3:	N-3:C-4:O-1:	O-2:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(CHHO)(O)	C(OC[6a])(CNO)(H)2	N(C[6a]C[6a]2)2(CCO)	C(NC[6a]2)(CHHO)(O)	C(OC[6a])(CNO)(H)2	N(C[6a]C[6a]2)2(CCO)	117.1398	1.221	4	117.1398	1.490	4	117.1398	1.490	4	117.1398	1.490	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	2:3:1:1:	3:4:3:	N-3:C-4:O-1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHHO)(O)	C(OC[5a])(CNO)(H)2	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CHHO)(O)	C(OC[5a])(CNO)(H)2	N(C[6a]C[6a]2)(CCCH)(CCO)	115.3630	0.717	2	115.3630	0.514	2	115.6101	0.556	9	115.7260	0.628	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	2:3:1:1:	3:4:3:	N-3:C-4:O-1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHHO)(O)	C(OC[5a])(CNO)(H)2	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CHHO)(O)	C(OC[5a])(CNO)(H)2	N(C[6a]C[6a]2)(CH3)(CCO)	114.8730	0.338	2	114.8730	0.114	2	115.6101	0.556	9	115.7260	0.628	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	2:3:1:1:	3:4:3:	N-3:C-4:O-1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHHO)(O)	C(OC[6a])(CNO)(H)2	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CHHO)(O)	C(OC[6a])(CNO)(H)2	N(C[6a]C[6a]2)(CCCH)(CCO)	116.9840	0.000	1	116.9840	0.000	1	115.6101	0.556	9	115.7260	0.628	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	2:3:1:1:	3:4:3:	N-3:C-4:O-1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHHO)(O)	C(OC[6a])(CNO)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CHHO)(O)	C(OC[6a])(CNO)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	115.4180	0.281	2	115.4180	0.079	2	115.6101	0.556	9	115.7260	0.628	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	2:3:1:1:	3:4:3:	N-3:C-4:O-1:	O-2:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHHO)(O)	C(OC[6a])(CNO)(H)2	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CHHO)(O)	C(OC[6a])(CNO)(H)2	N(C[6a]C[6a]2)(CH3)(CCO)	116.0995	0.299	2	116.0995	0.089	2	115.6101	0.556	9	115.7260	0.628	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	2:3:1:1:	3:4:3:	N-3:C-4:O-1:	S-2:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHHS)(O)	C(SC[5a])(CNO)(H)2	N(C[6a]C[6a]2)(CC[5a]CH)(CCO)	C(NC[6a]C)(CHHS)(O)	C(SC[5a])(CNO)(H)2	N(C[6a]C[6a]2)(CC[5a]CH)(CCO)	116.7690	0.000	1	116.7690	0.000	1	116.7690	0.000	1	115.7260	0.628	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	2:3:1:1:	4:3:1:	N-3:C-4:O-1:	O-2:C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CHHO)(O)	C(OC[6a])(CNO)(H)2	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CHHO)(O)	C(OC[6a])(CNO)(H)2	N(C[6]C[6]2H)(CCO)(H)	116.5225	3.569	2	116.5225	12.736	2	116.5225	12.736	2	115.7415	5.066	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	2:3:1:1:	4:3:1:	N-3:C-4:O-1:	S-2:C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CHHS)(O)	C(SC[5a])(CNO)(H)2	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CHHS)(O)	C(SC[5a])(CNO)(H)2	N(C[6]C[6]2H)(CCO)(H)	115.0690	0.000	1	115.0690	0.000	1	114.9605	0.024	2	115.7415	5.066	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	2:3:1:1:	4:3:1:	N-3:C-4:O-1:	S-2:C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CHHS)(O)	C(SC[6a])(CNO)(H)2	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CHHS)(O)	C(SC[6a])(CNO)(H)2	N(C[6]C[6]2H)(CCO)(H)	114.8520	0.000	1	114.8520	0.000	1	114.9605	0.024	2	115.7415	5.066	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	2:3:1:1:	4:4:3:	N-3:C-4:O-1:	O-2:C-3:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C(NC[6]2)(CHHO)(O)	C(OC[6a])(CNO)(H)2	N(C[6]C[6]2H)2(CCO)	C(NC[6]2)(CHHO)(O)	C(OC[6a])(CNO)(H)2	N(C[6]C[6]2H)2(CCO)	118.2995	0.131	2	118.2995	0.017	2	118.2995	0.017	2	118.2995	0.017	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	2:4:3:1:	3:3:1:	N-3:C-4:O-1:	O-2:C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHO)(O)	C(OC[6a])(CH3)(CNO)(H)	N(C[6a]N[6a]2)(CCO)(H)	C(NC[6a]H)(CCHO)(O)	C(OC[6a])(CH3)(CNO)(H)	N(C[6a]N[6a]2)(CCO)(H)	115.3990	0.000	1	115.3990	0.000	1	115.3990	0.000	1	116.3840	1.940	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	2:4:3:1:	3:3:1:	N-3:C-4:O-1:	S-2:C-4:C-3:H-1:	C[5]-3:C-3:H-1:	C(NC[5]H)(CCHS)(O)	C(SC[5])(CH3)(CNO)(H)	N(C[5]C[5]N[5])(CCO)(H)	C(NC[5]H)(CCHS)(O)	C(SC[5])(CH3)(CNO)(H)	N(C[5]C[5]N[5])(CCO)(H)	117.3690	0.000	1	117.3690	0.000	1	117.3690	0.000	1	116.3840	1.940	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	2:4:3:1:	3:4:3:	N-3:C-4:O-1:	O-2:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHO)(O)	C(ON[5])(CCHH)(CNO)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCHO)(O)	C(ON[5])(CCHH)(CNO)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	118.2320	0.000	1	118.2320	0.000	1	118.2320	0.000	1	118.2320	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	2:4:4:3:	3:3:1:	N-3:C-4:O-1:	O-2:C-4:C-4:C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CCCO)(O)	C(OC[6a])(CH3)2(CNO)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CCCO)(O)	C(OC[6a])(CH3)2(CNO)	N(C[5a]N[5a]S[5a])(CCO)(H)	116.0043	0.684	9	116.0043	0.468	9	116.0043	0.468	9	116.0043	0.468	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:2:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:O-2:C-3:	C(NC[6a]O)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(OC[6])(CCO)	C(NC[6a]O)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(OC[6])(CCO)	116.4180	0.000	1	116.4180	0.000	1	116.4180	0.000	1	116.4180	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:H-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(H)	C(CHN)(H)3	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CH3)(H)	C(CHN)(H)3	N(C[6a]C[6a]2)(CCH)(H)	119.0090	0.000	1	119.0090	0.000	1	119.0090	0.000	1	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:N-1:	C-3:Cl-1:Cl-1:Cl-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCl3)(N)	C(CNN)(Cl)3	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(CCl3)(N)	C(CNN)(Cl)3	N(C[6a]C[6a]2)(CCN)(H)	117.9620	0.000	1	117.9620	0.000	1	117.9620	0.000	1	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:Br-1:Br-1:Br-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CBr3)(O)	C(CNO)(Br)3	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CBr3)(O)	C(CNO)(Br)3	N(C[6a]C[6a]2)(CCO)(H)	116.4726	1.454	11	116.4726	2.114	11	116.4726	2.114	11	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:Br-1:Br-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CBr2H)(O)	C(CNO)(Br)2(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CBr2H)(O)	C(CNO)(Br)2(H)	N(C[6a]C[6a]2)(CCO)(H)	112.2790	0.000	1	112.2790	0.000	1	112.2790	0.000	1	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:Br-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CBrHH)(O)	C(CNO)(Br)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CBrHH)(O)	C(CNO)(Br)(H)2	N(C[6a]C[6a]2)(CCO)(H)	112.4515	2.947	2	112.4515	8.682	2	112.4515	8.682	2	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:Cl-1:Cl-1:Cl-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCl3)(O)	C(CNO)(Cl)3	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCl3)(O)	C(CNO)(Cl)3	N(C[6a]C[6a]2)(CCO)(H)	114.5980	1.236	4	114.5980	1.529	4	114.5980	1.529	4	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:Cl-1:Cl-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCl2H)(O)	C(CNO)(Cl)2(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCl2H)(O)	C(CNO)(Cl)2(H)	N(C[6a]C[6a]2)(CCO)(H)	113.7973	0.394	7	113.7973	0.155	7	113.7973	0.155	7	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:Cl-1:H-1:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CClHH)(O)	C(CNO)(Cl)(H)2	N(C[5a]C[5a]N[5a])(CCO)(H)	C(NC[5a]H)(CClHH)(O)	C(CNO)(Cl)(H)2	N(C[5a]C[5a]N[5a])(CCO)(H)	113.7442	2.265	5	113.7442	5.132	5	114.0851	3.931	8	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:Cl-1:H-1:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CClHH)(O)	C(CNO)(Cl)(H)2	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CClHH)(O)	C(CNO)(Cl)(H)2	N(C[5a]N[5a]S[5a])(CCO)(H)	114.6533	1.649	3	114.6533	2.721	3	114.0851	3.931	8	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:Cl-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CClHH)(O)	C(CNO)(Cl)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CClHH)(O)	C(CNO)(Cl)(H)2	N(C[6a]C[6a]2)(CCO)(H)	114.1738	2.038	30	114.1738	4.153	30	114.3100	5.124	35	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:Cl-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CClHH)(O)	C(CNO)(Cl)(H)2	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CClHH)(O)	C(CNO)(Cl)(H)2	N(C[6a]C[6a]N[6a])(CCO)(H)	115.1274	3.531	5	115.1274	12.469	5	114.3100	5.124	35	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CF3)(O)	C(CNO)(F)3	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CF3)(O)	C(CNO)(F)3	N(C[6a]C[6,6a]C[6a])(CCO)(H)	113.0735	0.777	2	113.0735	0.604	2	114.2359	1.328	30	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CF3)(O)	C(CNO)(F)3	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CF3)(O)	C(CNO)(F)3	N(C[6a]C[6a]2)(CCO)(H)	114.4270	1.125	24	114.4270	1.265	24	114.2359	1.328	30	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CF3)(O)	C(CNO)(F)3	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CF3)(O)	C(CNO)(F)3	N(C[6a]C[6a]N[6a])(CCO)(H)	113.6710	1.149	4	113.6710	1.319	4	114.2359	1.328	30	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:F-1:F-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CFFH)(O)	C(CNO)(F)2(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CFFH)(O)	C(CNO)(F)2(H)	N(C[6a]C[6a]2)(CCO)(H)	113.4797	1.136	3	113.4797	1.290	3	113.4797	1.290	3	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:F-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CFHH)(O)	C(CNO)(F)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CFHH)(O)	C(CNO)(F)(H)2	N(C[6a]C[6a]2)(CCO)(H)	115.2970	0.304	2	115.2970	0.092	2	115.2970	0.092	2	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-3:C-3:H-1:	C(NC[5]H)(CH3)(O)	C(CNO)(H)3	N(C[5]C[5,5]C[5])(CCO)(H)	C(NC[5]H)(CH3)(O)	C(CNO)(H)3	N(C[5]C[5,5]C[5])(CCO)(H)	115.4660	0.000	1	115.4660	0.000	1	114.6856	2.255	26	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-3:C-3:H-1:	C(NC[5]H)(CH3)(O)	C(CNO)(H)3	N(C[5]C[5]2)(CCO)(H)	C(NC[5]H)(CH3)(O)	C(CNO)(H)3	N(C[5]C[5]2)(CCO)(H)	115.0960	0.198	3	115.0960	0.039	3	114.6856	2.255	26	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-3:C-3:H-1:	C(NC[5]H)(CH3)(O)	C(CNO)(H)3	N(C[5]C[5]N[5])(CCO)(H)	C(NC[5]H)(CH3)(O)	C(CNO)(H)3	N(C[5]C[5]N[5])(CCO)(H)	110.5695	2.259	2	110.5695	5.104	2	114.6856	2.255	26	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-3:C-3:H-1:	C(NC[5]H)(CH3)(O)	C(CNO)(H)3	N(C[5]N[5]S[5])(CCO)(H)	C(NC[5]H)(CH3)(O)	C(CNO)(H)3	N(C[5]N[5]S[5])(CCO)(H)	114.9967	0.866	20	114.9967	0.750	20	114.6856	2.255	26	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CH3)(O)	C(CNO)(H)3	N(C[5a]C[5a]2)(CCO)(H)	C(NC[5a]H)(CH3)(O)	C(CNO)(H)3	N(C[5a]C[5a]2)(CCO)(H)	115.7670	0.662	5	115.7670	0.439	5	115.2136	0.612	68	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CH3)(O)	C(CNO)(H)3	N(C[5a]C[5a]N[5a])(CCO)(H)	C(NC[5a]H)(CH3)(O)	C(CNO)(H)3	N(C[5a]C[5a]N[5a])(CCO)(H)	115.7390	1.026	4	115.7390	1.054	4	115.2136	0.612	68	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CH3)(O)	C(CNO)(H)3	N(C[5a]C[5a]O[5a])(CCO)(H)	C(NC[5a]H)(CH3)(O)	C(CNO)(H)3	N(C[5a]C[5a]O[5a])(CCO)(H)	114.5760	0.000	1	114.5760	0.000	1	115.2136	0.612	68	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CH3)(O)	C(CNO)(H)3	N(C[5a]C[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CH3)(O)	C(CNO)(H)3	N(C[5a]C[5a]S[5a])(CCO)(H)	115.0538	0.295	5	115.0538	0.087	5	115.2136	0.612	68	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CH3)(O)	C(CNO)(H)3	N(C[5a]N[5a,6a]C[5a])(CCO)(H)	C(NC[5a]H)(CH3)(O)	C(CNO)(H)3	N(C[5a]N[5a,6a]C[5a])(CCO)(H)	115.3690	0.000	1	115.3690	0.000	1	115.2136	0.612	68	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CH3)(O)	C(CNO)(H)3	N(C[5a]N[5a]2)(CCO)(H)	C(NC[5a]H)(CH3)(O)	C(CNO)(H)3	N(C[5a]N[5a]2)(CCO)(H)	115.7650	0.661	3	115.7650	0.437	3	115.2136	0.612	68	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CH3)(O)	C(CNO)(H)3	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CH3)(O)	C(CNO)(H)3	N(C[5a]N[5a]S[5a])(CCO)(H)	115.1066	0.793	49	115.1066	0.629	49	115.2136	0.612	68	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6]-3:C-3:H-1:	C(NC[6]H)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6,6a]C[6])(CCO)(H)	C(NC[6]H)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6,6a]C[6])(CCO)(H)	114.6075	0.383	2	114.6075	0.146	2	114.6999	1.380	18	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6]-3:C-3:H-1:	C(NC[6]H)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6]2)(CCO)(H)	C(NC[6]H)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6]2)(CCO)(H)	114.9567	1.343	11	114.9567	1.805	11	114.6999	1.380	18	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6]-3:C-3:H-1:	C(NC[6]H)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6]N[6])(CCO)(H)	114.2152	1.016	4	114.2152	1.033	4	114.6999	1.380	18	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6]-3:C-3:H-1:	C(NC[6]H)(CH3)(O)	C(CNO)(H)3	N(C[6]N[6]2)(CCO)(H)	C(NC[6]H)(CH3)(O)	C(CNO)(H)3	N(C[6]N[6]2)(CCO)(H)	113.9980	0.000	1	113.9980	0.000	1	114.6999	1.380	18	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:Cl-1:	C(NC[6a]Cl)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(CCO)(Cl)	C(NC[6a]Cl)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(CCO)(Cl)	115.5380	0.000	1	115.5380	0.000	1	115.5380	0.000	1	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[5,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[5,6a]C[6a])(CCO)(H)	114.7398	0.464	5	114.7398	0.215	5	115.1069	1.063	542	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	117.6917	1.337	3	117.6917	1.786	3	115.1069	1.063	542	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6,6a]C[6a])(CCO)(H)	114.4595	0.772	6	114.4595	0.596	6	115.1069	1.063	542	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	115.2033	0.921	10	115.2033	0.848	10	115.1069	1.063	542	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(CCO)(H)	115.1425	0.961	462	115.1425	0.923	462	115.1069	1.063	542	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]N[6a])(CCO)(H)	114.7921	1.406	53	114.7921	1.977	53	115.1069	1.063	542	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(O)	C(CNO)(H)3	N(C[6a]N[6a]2)(CCO)(H)	C(NC[6a]H)(CH3)(O)	C(CNO)(H)3	N(C[6a]N[6a]2)(CCO)(H)	114.1890	0.277	3	114.1890	0.077	3	115.1069	1.063	542	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	N[5a]-3:C-3:H-1:	C(NN[5a]H)(CH3)(O)	C(CNO)(H)3	N(N[5a]C[5a,6a]C[5a])(CCO)(H)	C(NN[5a]H)(CH3)(O)	C(CNO)(H)3	N(N[5a]C[5a,6a]C[5a])(CCO)(H)	114.1840	0.403	2	114.1840	0.162	2	114.1840	0.162	2	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:I-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHI)(O)	C(CNO)(H)2(I)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHI)(O)	C(CNO)(H)2(I)	N(C[6a]C[6a]2)(CCO)(H)	113.4370	0.000	1	113.4370	0.000	1	113.4370	0.000	1	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:S-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(S)	C(CNS)(H)3	N(C[6a]C[6a]2)(CCS)(H)	C(NC[6a]H)(CH3)(S)	C(CNS)(H)3	N(C[6a]C[6a]2)(CCS)(H)	114.6812	0.268	6	114.6812	0.072	6	114.6812	0.072	6	115.0017	1.459	769	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:2:	N-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[6a]-3:C-3:N-2:	C(NC[6a]N)(CF3)(O)	C(CNO)(F)3	N(C[6a]C[6a]2)(CCO)(NC)	C(NC[6a]N)(CF3)(O)	C(CNO)(F)3	N(C[6a]C[6a]2)(CCO)(NC)	117.3870	0.000	1	117.3870	0.000	1	117.3870	0.000	1	117.7800	0.309	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:2:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:O-2:	C(NC[6a]O)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(CCO)(OH)	C(NC[6a]O)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(CCO)(OH)	118.1730	0.000	1	118.1730	0.000	1	118.1730	0.000	1	117.7800	0.309	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:3:	N-3:C-4:O-1:	C-3:Br-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(CBrHH)(O)	C(CNO)(Br)(H)2	N(C[6a]C[6a]2)2(CCO)	C(NC[6a]2)(CBrHH)(O)	C(CNO)(Br)(H)2	N(C[6a]C[6a]2)2(CCO)	117.5410	0.000	1	117.5410	0.000	1	117.5410	0.000	1	117.5114	2.155	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:3:	N-3:C-4:O-1:	C-3:Cl-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(CClHH)(O)	C(CNO)(Cl)(H)2	N(C[6a]C[6a]2)2(CCO)	C(NC[6a]2)(CClHH)(O)	C(CNO)(Cl)(H)2	N(C[6a]C[6a]2)2(CCO)	115.0020	0.000	1	115.0020	0.000	1	115.0020	0.000	1	117.5114	2.155	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-3:C[6a]-3:C-3:	C(NC[6a]C[5])(CH3)(O)	C(CNO)(H)3	N(C[5]N[5]S[5])(C[6a]C[6a]2)(CCO)	C(NC[6a]C[5])(CH3)(O)	C(CNO)(H)3	N(C[5]N[5]S[5])(C[6a]C[6a]2)(CCO)	116.0460	0.000	1	116.0460	0.000	1	116.0460	0.000	1	117.5114	2.155	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5a]-3:C-3:C-3:	C(NC[5a]C)(CH3)(O)	C(CNO)(H)3	N(C[5a]C[5a]N[5a])(CCO)2	C(NC[5a]C)(CH3)(O)	C(CNO)(H)3	N(C[5a]C[5a]N[5a])(CCO)2	117.3410	2.182	2	117.3410	4.762	2	117.3410	4.762	2	117.5114	2.155	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:C-3:	C(NC[5a]C[6a])(CH3)(O)	C(CNO)(H)3	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(CCO)	C(NC[5a]C[6a])(CH3)(O)	C(CNO)(H)3	N(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(CCO)	117.7870	0.000	1	117.7870	0.000	1	117.4423	0.134	3	117.5114	2.155	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5a]-3:C[6a]-3:C-3:	C(NC[5a]C[6a])(CH3)(O)	C(CNO)(H)3	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CCO)	C(NC[5a]C[6a])(CH3)(O)	C(CNO)(H)3	N(C[5a]N[5a]S[5a])(C[6a]C[6a]2)(CCO)	117.2700	0.301	2	117.2700	0.091	2	117.4423	0.134	3	117.5114	2.155	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a,6a]C[6a])(CCO)2	C(NC[6a]C)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a,6a]C[6a])(CCO)2	118.1035	2.996	2	118.1035	8.976	2	117.8188	3.577	27	117.5114	2.155	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(CCO)	C(NC[6a]C)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a,6a]C[6a])(CC[6a]O)(CCO)	119.4240	0.000	1	119.4240	0.000	1	117.8188	3.577	27	117.5114	2.155	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(CCC)(CCO)	C(NC[6a]C)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(CCC)(CCO)	116.9110	0.000	1	116.9110	0.000	1	117.8188	3.577	27	117.5114	2.155	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(CCH)(CCO)	C(NC[6a]C)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(CCH)(CCO)	116.3420	0.000	1	116.3420	0.000	1	117.8188	3.577	27	117.5114	2.155	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(CCO)(CNO)	C(NC[6a]C)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(CCO)(CNO)	116.4215	0.854	4	116.4215	0.729	4	117.8188	3.577	27	117.5114	2.155	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(CCO)2	C(NC[6a]C)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(CCO)2	118.0057	2.009	11	118.0057	4.036	11	117.8188	3.577	27	117.5114	2.155	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(CC[6a]O)(CCO)	C(NC[6a]C)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(CC[6a]O)(CCO)	118.6080	0.000	1	118.6080	0.000	1	117.8188	3.577	27	117.5114	2.155	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]N[6a])(CCO)2	C(NC[6a]C)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]N[6a])(CCO)2	118.3112	2.257	6	118.3112	5.092	6	117.8188	3.577	27	117.5114	2.155	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6]-3:C-3:	C(NC[6a]C[6])(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(C[6]C[6]2)(CCO)	C(NC[6a]C[6])(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(C[6]C[6]2)(CCO)	118.0770	0.498	2	118.0770	0.248	2	118.0770	0.248	2	117.5114	2.155	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)2(CCO)	C(NC[6a]2)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)2(CCO)	117.2706	0.792	16	117.2706	0.628	16	117.2408	0.604	17	117.5114	2.155	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(CH3)(O)	C(CNO)(H)3	N(C[6a]N[6a]S[6a])(C[6a]C[6a]2)(CCO)	C(NC[6a]2)(CH3)(O)	C(CNO)(H)3	N(C[6a]N[6a]S[6a])(C[6a]C[6a]2)(CCO)	116.7640	0.000	1	116.7640	0.000	1	117.2408	0.604	17	117.5114	2.155	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:N[5]-3:C-3:	C(NC[6a]N[5])(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	C(NC[6a]N[5])(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	116.4820	0.000	1	116.4820	0.000	1	116.4820	0.000	1	117.5114	2.155	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	N[5]-3:C-3:C-3:	C(NN[5]C)(CH3)(O)	C(CNO)(H)3	N(N[5]C[5,6]C[5])(CCO)2	C(NN[5]C)(CH3)(O)	C(CNO)(H)3	N(N[5]C[5,6]C[5])(CCO)2	118.3220	0.313	2	118.3220	0.098	2	118.1848	0.905	4	117.5114	2.155	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	N[5]-3:C-3:C-3:	C(NN[5]C)(CH3)(O)	C(CNO)(H)3	N(N[5]C[5]2)(CCO)2	C(NN[5]C)(CH3)(O)	C(CNO)(H)3	N(N[5]C[5]2)(CCO)2	118.0475	1.595	2	118.0475	2.543	2	118.1848	0.905	4	117.5114	2.155	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	N[5a]-3:C-3:C-3:	C(NN[5a]C)(CH3)(O)	C(CNO)(H)3	N(N[5a]C[5a]N[5a])(CCO)2	C(NN[5a]C)(CH3)(O)	C(CNO)(H)3	N(N[5a]C[5a]N[5a])(CCO)2	116.6040	1.819	2	116.6040	3.308	2	116.6040	3.308	2	117.5114	2.155	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	N[6a]-3:C-3:C-3:	C(NN[6a]C)(CH3)(O)	C(CNO)(H)3	N(N[6a]C[6a]2)(CCO)2	C(NN[6a]C)(CH3)(O)	C(CNO)(H)3	N(N[6a]C[6a]2)(CCO)2	117.3230	0.000	1	117.3230	0.000	1	117.3230	0.000	1	117.5114	2.155	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:4:3:	N-3:C-4:H-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CH3)(H)	C(CHN)(H)3	N(C[6a]C[6a]2)(CCHH)(CCH)	C(NC[6a]C)(CH3)(H)	C(CHN)(H)3	N(C[6a]C[6a]2)(CCHH)(CCH)	112.0100	0.000	1	112.0100	0.000	1	112.0100	0.000	1	116.9510	2.218	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:Cl-1:Cl-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCl2H)(O)	C(CNO)(Cl)2(H)	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CCl2H)(O)	C(CNO)(Cl)2(H)	N(C[6a]C[6a]2)(CCCH)(CCO)	116.7090	0.228	2	116.7090	0.052	2	116.5117	0.143	3	116.9510	2.218	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:Cl-1:Cl-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCl2H)(O)	C(CNO)(Cl)2(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCl2H)(O)	C(CNO)(Cl)2(H)	N(C[6a]C[6a]2)(CH3)(CCO)	116.1170	0.000	1	116.1170	0.000	1	116.5117	0.143	3	116.9510	2.218	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:Cl-1:H-1:H-1:	C[5a]-3:C-4:C-3:	C(NC[5a]C)(CClHH)(O)	C(CNO)(Cl)(H)2	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CCO)	C(NC[5a]C)(CClHH)(O)	C(CNO)(Cl)(H)2	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CCO)	115.4260	2.094	2	115.4260	4.387	2	115.4260	4.387	2	116.9510	2.218	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:Cl-1:H-1:H-1:	C[6]-3:C-4:C-3:	C(NC[6]C)(CClHH)(O)	C(CNO)(Cl)(H)2	N(C[6]C[6]2)(CC[6a]HH)(CCO)	C(NC[6]C)(CClHH)(O)	C(CNO)(Cl)(H)2	N(C[6]C[6]2)(CC[6a]HH)(CCO)	114.9950	0.000	1	114.9950	0.000	1	114.9950	0.000	1	116.9510	2.218	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:Cl-1:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CClHH)(O)	C(CNO)(Cl)(H)2	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CClHH)(O)	C(CNO)(Cl)(H)2	N(C[6a]C[6a]2)(CCCH)(CCO)	115.6313	0.421	3	115.6313	0.177	3	115.0636	0.418	7	116.9510	2.218	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:Cl-1:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CClHH)(O)	C(CNO)(Cl)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(NC[6a]C)(CClHH)(O)	C(CNO)(Cl)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	114.9350	0.000	1	114.9350	0.000	1	115.0636	0.418	7	116.9510	2.218	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:Cl-1:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CClHH)(O)	C(CNO)(Cl)(H)2	N(C[6a]C[6a]2)(CClHH)(CCO)	C(NC[6a]C)(CClHH)(O)	C(CNO)(Cl)(H)2	N(C[6a]C[6a]2)(CClHH)(CCO)	114.0620	0.000	1	114.0620	0.000	1	115.0636	0.418	7	116.9510	2.218	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:Cl-1:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CClHH)(O)	C(CNO)(Cl)(H)2	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CClHH)(O)	C(CNO)(Cl)(H)2	N(C[6a]C[6a]2)(CH3)(CCO)	114.7770	0.006	2	114.7770	0.000	2	115.0636	0.418	7	116.9510	2.218	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CF3)(O)	C(CNO)(F)3	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CF3)(O)	C(CNO)(F)3	N(C[6a]C[6a]2)(CCCH)(CCO)	119.2820	0.000	1	119.2820	0.000	1	117.8926	1.041	5	116.9510	2.218	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CF3)(O)	C(CNO)(F)3	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(NC[6a]C)(CF3)(O)	C(CNO)(F)3	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	117.6033	0.925	3	117.6033	0.855	3	117.8926	1.041	5	116.9510	2.218	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CF3)(O)	C(CNO)(F)3	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CF3)(O)	C(CNO)(F)3	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	117.3710	0.000	1	117.3710	0.000	1	117.8926	1.041	5	116.9510	2.218	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:F-1:F-1:F-1:	N[5]-3:C-4:C-3:	C(NN[5]C)(CF3)(O)	C(CNO)(F)3	N(N[5]C[5]2)(CCCH)(CCO)	C(NN[5]C)(CF3)(O)	C(CNO)(F)3	N(N[5]C[5]2)(CCCH)(CCO)	117.3420	0.000	1	117.3420	0.000	1	117.3420	0.000	1	116.9510	2.218	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5a]-3:C-4:C-3:	C(NC[5a]C)(CH3)(O)	C(CNO)(H)3	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CCO)	C(NC[5a]C)(CH3)(O)	C(CNO)(H)3	N(C[5a]C[5a]N[5a])(CC[6a]HH)(CCO)	117.1960	0.000	1	117.1960	0.000	1	117.2815	0.015	2	116.9510	2.218	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5a]-3:C-4:C-3:	C(NC[5a]C)(CH3)(O)	C(CNO)(H)3	N(C[5a]C[5a]O[5a])(CC3)(CCO)	C(NC[5a]C)(CH3)(O)	C(CNO)(H)3	N(C[5a]C[5a]O[5a])(CC3)(CCO)	117.3670	0.000	1	117.3670	0.000	1	117.2815	0.015	2	116.9510	2.218	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5a]-3:S-4:C-3:	C(NC[5a]S)(CH3)(O)	C(CNO)(H)3	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCO)	C(NC[5a]S)(CH3)(O)	C(CNO)(H)3	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCO)	116.1120	0.000	1	116.1120	0.000	1	116.1120	0.000	1	116.9510	2.218	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6]-3:C-4:C-3:	C(NC[6]C)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6,6a]C[6])(CC[6a]HH)(CCO)	C(NC[6]C)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6,6a]C[6])(CC[6a]HH)(CCO)	117.2650	0.000	1	117.2650	0.000	1	117.2650	0.000	1	116.9510	2.218	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a,6a]C[6a])(CCHH)(CCO)	C(NC[6a]C)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a,6a]C[6a])(CCHH)(CCO)	117.9250	0.000	1	117.9250	0.000	1	117.7749	0.996	32	116.9510	2.218	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(CCHH)(CCO)	117.9716	0.725	15	117.9716	0.526	15	117.7749	0.996	32	116.9510	2.218	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(CC[6]CH)(CCO)	C(NC[6a]C)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(CC[6]CH)(CCO)	116.4230	0.000	1	116.4230	0.000	1	117.7749	0.996	32	116.9510	2.218	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(NC[6a]C)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	118.1870	0.808	7	118.1870	0.653	7	117.7749	0.996	32	116.9510	2.218	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	117.2142	0.200	5	117.2142	0.040	5	117.7749	0.996	32	116.9510	2.218	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(CH3)(CCO)	117.1653	2.562	3	117.1653	6.563	3	117.7749	0.996	32	116.9510	2.218	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C[6]-4:C-3:	C(NC[6a]C[6])(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C(NC[6a]C[6])(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	116.9572	0.716	5	116.9572	0.513	5	116.9572	0.513	5	116.9510	2.218	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:S-4:C-3:	C(NC[6a]S)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(SCOO)(CCO)	C(NC[6a]S)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(SCOO)(CCO)	116.3525	0.569	2	116.3525	0.324	2	116.5940	0.337	3	116.9510	2.218	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:S-4:C-3:	C(NC[6a]S)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]N[6a])(SC[6a]OO)(CCO)	C(NC[6a]S)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]N[6a])(SC[6a]OO)(CCO)	117.0770	0.000	1	117.0770	0.000	1	116.5940	0.337	3	116.9510	2.218	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	N[6]-3:C-4:C-3:	C(NN[6]C)(CH3)(O)	C(CNO)(H)3	N(N[6]C[6,6a]C[6])(CC[6a]CH)(CCO)	C(NN[6]C)(CH3)(O)	C(CNO)(H)3	N(N[6]C[6,6a]C[6])(CC[6a]CH)(CCO)	117.2090	0.000	1	117.2090	0.000	1	117.1560	0.065	3	116.9510	2.218	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	N[6]-3:C-4:C-3:	C(NN[6]C)(CH3)(O)	C(CNO)(H)3	N(N[6]C[6]2)(CC[6a]CH)(CCO)	C(NN[6]C)(CH3)(O)	C(CNO)(H)3	N(N[6]C[6]2)(CC[6a]CH)(CCO)	117.1295	0.354	2	117.1295	0.126	2	117.1560	0.065	3	116.9510	2.218	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:H-1:H-1:I-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHHI)(O)	C(CNO)(H)2(I)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CHHI)(O)	C(CNO)(H)2(I)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	115.2770	2.060	4	115.2770	4.244	4	115.2770	4.244	4	116.9510	2.218	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:Cl-1:Cl-1:Cl-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CCl3)(O)	C(CNO)(Cl)3	N(C[5]C[5,6]C[5]H)(CCO)(H)	C(NC[5]H)(CCl3)(O)	C(CNO)(Cl)3	N(C[5]C[5,6]C[5]H)(CCO)(H)	116.2670	0.642	2	116.2670	0.412	2	116.2670	0.412	2	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:Cl-1:Cl-1:Cl-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCl3)(O)	C(CNO)(Cl)3	N(C[6]C[5,6]C[6]H)(CCO)(H)	C(NC[6]H)(CCl3)(O)	C(CNO)(Cl)3	N(C[6]C[5,6]C[6]H)(CCO)(H)	114.6597	1.005	3	114.6597	1.010	3	114.9701	2.276	9	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:Cl-1:Cl-1:Cl-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCl3)(O)	C(CNO)(Cl)3	N(C[6]C[6,6]C[6]H)(CCO)(H)	C(NC[6]H)(CCl3)(O)	C(CNO)(Cl)3	N(C[6]C[6,6]C[6]H)(CCO)(H)	115.6910	0.000	1	115.6910	0.000	1	114.9701	2.276	9	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:Cl-1:Cl-1:Cl-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCl3)(O)	C(CNO)(Cl)3	N(C[6]C[6,6a]C[6]H)(CCO)(H)	C(NC[6]H)(CCl3)(O)	C(CNO)(Cl)3	N(C[6]C[6,6a]C[6]H)(CCO)(H)	114.5760	0.000	1	114.5760	0.000	1	114.9701	2.276	9	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:Cl-1:Cl-1:Cl-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCl3)(O)	C(CNO)(Cl)3	N(C[6]C[6]2C)(CCO)(H)	C(NC[6]H)(CCl3)(O)	C(CNO)(Cl)3	N(C[6]C[6]2C)(CCO)(H)	113.2370	0.923	2	113.2370	0.853	2	114.9701	2.276	9	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:Cl-1:Cl-1:Cl-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCl3)(O)	C(CNO)(Cl)3	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCl3)(O)	C(CNO)(Cl)3	N(C[6]C[6]2H)(CCO)(H)	117.0055	0.275	2	117.0055	0.076	2	114.9701	2.276	9	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:Cl-1:H-1:H-1:	C[3x6]-4:C-3:H-1:	C(NC[3x6]H)(CClHH)(O)	C(CNO)(Cl)(H)2	N(C[3x6]C[6,6]3)(CCO)(H)	C(NC[3x6]H)(CClHH)(O)	C(CNO)(Cl)(H)2	N(C[3x6]C[6,6]3)(CCO)(H)	112.1520	0.000	1	112.1520	0.000	1	112.1520	0.000	1	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:Cl-1:H-1:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CClHH)(O)	C(CNO)(Cl)(H)2	N(C[6]C[6]O[6]H)(CCO)(H)	C(NC[6]H)(CClHH)(O)	C(CNO)(Cl)(H)2	N(C[6]C[6]O[6]H)(CCO)(H)	113.6970	1.645	2	113.6970	2.705	2	113.6970	2.705	2	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CF3)(O)	C(CNO)(F)3	N(C[5]C[5,6a]C[5,5]H)(CCO)(H)	C(NC[5]H)(CF3)(O)	C(CNO)(F)3	N(C[5]C[5,6a]C[5,5]H)(CCO)(H)	115.6020	0.000	1	115.6020	0.000	1	115.3523	0.165	3	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CF3)(O)	C(CNO)(F)3	N(C[5]C[5]2Fe)(CCO)(H)	C(NC[5]H)(CF3)(O)	C(CNO)(F)3	N(C[5]C[5]2Fe)(CCO)(H)	114.8830	0.000	1	114.8830	0.000	1	115.3523	0.165	3	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CF3)(O)	C(CNO)(F)3	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CF3)(O)	C(CNO)(F)3	N(C[5]C[5]2H)(CCO)(H)	115.5720	0.000	1	115.5720	0.000	1	115.3523	0.165	3	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CF3)(O)	C(CNO)(F)3	N(C[6]C[6]2C)(CCO)(H)	C(NC[6]H)(CF3)(O)	C(CNO)(F)3	N(C[6]C[6]2C)(CCO)(H)	113.3935	0.026	2	113.3935	0.001	2	112.3522	1.598	6	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CF3)(O)	C(CNO)(F)3	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CF3)(O)	C(CNO)(F)3	N(C[6]C[6]2H)(CCO)(H)	111.8315	1.256	4	111.8315	1.578	4	112.3522	1.598	6	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:F-1:F-1:F-1:	P[6]-4:C-3:H-1:	C(NP[6]H)(CF3)(O)	C(CNO)(F)3	N(P[6]N[6]2O)(CCO)(H)	C(NP[6]H)(CF3)(O)	C(CNO)(F)3	N(P[6]N[6]2O)(CCO)(H)	116.1840	0.000	2	116.1840	0.000	2	116.1840	0.000	2	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[3]-4:C-3:H-1:	C(NC[3]H)(CH3)(O)	C(CNO)(H)3	N(C[3]C[3]2C)(CCO)(H)	C(NC[3]H)(CH3)(O)	C(CNO)(H)3	N(C[3]C[3]2C)(CCO)(H)	116.3225	0.532	2	116.3225	0.284	2	115.6527	0.620	6	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[3]-4:C-3:H-1:	C(NC[3]H)(CH3)(O)	C(CNO)(H)3	N(C[3]C[3]2P)(CCO)(H)	C(NC[3]H)(CH3)(O)	C(CNO)(H)3	N(C[3]C[3]2P)(CCO)(H)	115.3178	0.700	4	115.3178	0.490	4	115.6527	0.620	6	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[3x6]-4:C-3:H-1:	C(NC[3x6]H)(CH3)(O)	C(CNO)(H)3	N(C[3x6]C[6,6]3)(CCO)(H)	C(NC[3x6]H)(CH3)(O)	C(CNO)(H)3	N(C[3x6]C[6,6]3)(CCO)(H)	115.9719	0.292	8	115.9719	0.085	8	115.9719	0.085	8	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[4,5]-4:C-3:H-1:	C(NC[4,5]H)(CH3)(O)	C(CNO)(H)3	N(C[4,5]C[4,5]C[4,6]C[5])(CCO)(H)	C(NC[4,5]H)(CH3)(O)	C(CNO)(H)3	N(C[4,5]C[4,5]C[4,6]C[5])(CCO)(H)	116.1420	0.000	1	116.1420	0.000	1	116.1420	0.000	1	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[4]-4:C-3:H-1:	C(NC[4]H)(CH3)(O)	C(CNO)(H)3	N(C[4]C[4,5]C[4]C)(CCO)(H)	C(NC[4]H)(CH3)(O)	C(CNO)(H)3	N(C[4]C[4,5]C[4]C)(CCO)(H)	116.3170	0.000	1	116.3170	0.000	1	116.6872	0.526	17	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[4]-4:C-3:H-1:	C(NC[4]H)(CH3)(O)	C(CNO)(H)3	N(C[4]C[4]2C)(CCO)(H)	C(NC[4]H)(CH3)(O)	C(CNO)(H)3	N(C[4]C[4]2C)(CCO)(H)	116.7979	0.793	13	116.7979	0.629	13	116.6872	0.526	17	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[4]-4:C-3:H-1:	C(NC[4]H)(CH3)(O)	C(CNO)(H)3	N(C[4]C[4]2H)(CCO)(H)	C(NC[4]H)(CH3)(O)	C(CNO)(H)3	N(C[4]C[4]2H)(CCO)(H)	116.3310	0.306	3	116.3310	0.094	3	116.6872	0.526	17	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6]-4:C-3:H-1:	C(NC[5,6]H)(CH3)(O)	C(CNO)(H)3	N(C[5,6]C[5,5,6]C[5,6]H)(CCO)(H)	C(NC[5,6]H)(CH3)(O)	C(CNO)(H)3	N(C[5,6]C[5,5,6]C[5,6]H)(CCO)(H)	116.1743	0.368	4	116.1743	0.135	4	115.8586	0.422	12	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6]-4:C-3:H-1:	C(NC[5,6]H)(CH3)(O)	C(CNO)(H)3	N(C[5,6]C[5,5,6]C[5]C[6])(CCO)(H)	C(NC[5,6]H)(CH3)(O)	C(CNO)(H)3	N(C[5,6]C[5,5,6]C[5]C[6])(CCO)(H)	116.0070	0.624	2	116.0070	0.389	2	115.8586	0.422	12	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6]-4:C-3:H-1:	C(NC[5,6]H)(CH3)(O)	C(CNO)(H)3	N(C[5,6]C[6,6a]C[5,6]O[5])(CCO)(H)	C(NC[5,6]H)(CH3)(O)	C(CNO)(H)3	N(C[5,6]C[6,6a]C[5,6]O[5])(CCO)(H)	115.9260	0.000	1	115.9260	0.000	1	115.8586	0.422	12	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5,6]-4:C-3:H-1:	C(NC[5,6]H)(CH3)(O)	C(CNO)(H)3	N(C[5,6]O[5,6]C[5]C[6])(CCO)(H)	C(NC[5,6]H)(CH3)(O)	C(CNO)(H)3	N(C[5,6]O[5,6]C[5]C[6])(CCO)(H)	115.5332	0.848	5	115.5332	0.719	5	115.8586	0.422	12	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CH3)(O)	C(CNO)(H)3	N(C[5]C[5,5]C[5]C)(CCO)(H)	C(NC[5]H)(CH3)(O)	C(CNO)(H)3	N(C[5]C[5,5]C[5]C)(CCO)(H)	115.5380	0.000	1	115.5380	0.000	1	116.0116	0.443	25	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CH3)(O)	C(CNO)(H)3	N(C[5]C[5,5]C[5]H)(CCO)(H)	C(NC[5]H)(CH3)(O)	C(CNO)(H)3	N(C[5]C[5,5]C[5]H)(CCO)(H)	116.3600	0.000	1	116.3600	0.000	1	116.0116	0.443	25	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CH3)(O)	C(CNO)(H)3	N(C[5]C[5,6]C[5]C)(CCO)(H)	C(NC[5]H)(CH3)(O)	C(CNO)(H)3	N(C[5]C[5,6]C[5]C)(CCO)(H)	115.4140	0.000	1	115.4140	0.000	1	116.0116	0.443	25	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CH3)(O)	C(CNO)(H)3	N(C[5]C[5,6a]C[5]H)(CCO)(H)	C(NC[5]H)(CH3)(O)	C(CNO)(H)3	N(C[5]C[5,6a]C[5]H)(CCO)(H)	116.1400	0.000	1	116.1400	0.000	1	116.0116	0.443	25	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CH3)(O)	C(CNO)(H)3	N(C[5]C[5,6a]C[6a]C[5])(CCO)(H)	C(NC[5]H)(CH3)(O)	C(CNO)(H)3	N(C[5]C[5,6a]C[6a]C[5])(CCO)(H)	116.6720	0.580	3	116.6720	0.337	3	116.0116	0.443	25	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CH3)(O)	C(CNO)(H)3	N(C[5]C[5]2C)(CCO)(H)	C(NC[5]H)(CH3)(O)	C(CNO)(H)3	N(C[5]C[5]2C)(CCO)(H)	116.4850	0.465	3	116.4850	0.217	3	116.0116	0.443	25	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CH3)(O)	C(CNO)(H)3	N(C[5]C[5]2Fe)(CCO)(H)	C(NC[5]H)(CH3)(O)	C(CNO)(H)3	N(C[5]C[5]2Fe)(CCO)(H)	115.2620	0.452	3	115.2620	0.204	3	116.0116	0.443	25	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CH3)(O)	C(CNO)(H)3	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CH3)(O)	C(CNO)(H)3	N(C[5]C[5]2H)(CCO)(H)	116.4193	0.293	7	116.4193	0.086	7	116.0116	0.443	25	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CH3)(O)	C(CNO)(H)3	N(C[5]C[5]N[5]C)(CCO)(H)	C(NC[5]H)(CH3)(O)	C(CNO)(H)3	N(C[5]C[5]N[5]C)(CCO)(H)	115.0857	0.025	3	115.0857	0.001	3	116.0116	0.443	25	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CH3)(O)	C(CNO)(H)3	N(C[5]C[6a]C[5]O[5])(CCO)(H)	C(NC[5]H)(CH3)(O)	C(CNO)(H)3	N(C[5]C[6a]C[5]O[5])(CCO)(H)	115.3240	0.000	1	115.3240	0.000	1	116.0116	0.443	25	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CH3)(O)	C(CNO)(H)3	N(C[5]P[5]S[5]C)(CCO)(H)	C(NC[5]H)(CH3)(O)	C(CNO)(H)3	N(C[5]P[5]S[5]C)(CCO)(H)	116.0660	0.000	1	116.0660	0.000	1	116.0116	0.443	25	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6,6]-4:C-3:H-1:	C(NC[6,6]H)(CH3)(O)	C(CNO)(H)3	N(C[6,6]C[6,6]C[6]2)(CCO)(H)	C(NC[6,6]H)(CH3)(O)	C(CNO)(H)3	N(C[6,6]C[6,6]C[6]2)(CCO)(H)	115.5865	0.844	2	115.5865	0.712	2	114.8668	0.983	5	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6,6]-4:C-3:H-1:	C(NC[6,6]H)(CH3)(O)	C(CNO)(H)3	N(C[6,6]C[6,6a]C[6,6]O[6])(CCO)(H)	C(NC[6,6]H)(CH3)(O)	C(CNO)(H)3	N(C[6,6]C[6,6a]C[6,6]O[6])(CCO)(H)	114.3870	0.864	3	114.3870	0.747	3	114.8668	0.983	5	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CH3)(O)	C(CNO)(H)3	N(C[6]C[5,6]C[6]H)(CCO)(H)	C(NC[6]H)(CH3)(O)	C(CNO)(H)3	N(C[6]C[5,6]C[6]H)(CCO)(H)	116.0214	0.417	5	116.0214	0.174	5	116.0103	0.670	80	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CH3)(O)	C(CNO)(H)3	N(C[6]C[5a,6]C[6]H)(CCO)(H)	C(NC[6]H)(CH3)(O)	C(CNO)(H)3	N(C[6]C[5a,6]C[6]H)(CCO)(H)	117.1060	0.000	1	117.1060	0.000	1	116.0103	0.670	80	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6,6]C[6]C)(CCO)(H)	C(NC[6]H)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6,6]C[6]C)(CCO)(H)	115.2250	0.000	1	115.2250	0.000	1	116.0103	0.670	80	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6,6]C[6]H)(CCO)(H)	C(NC[6]H)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6,6]C[6]H)(CCO)(H)	116.8720	0.000	1	116.8720	0.000	1	116.0103	0.670	80	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6,6a]C[6]H)(CCO)(H)	C(NC[6]H)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6,6a]C[6]H)(CCO)(H)	115.9710	0.902	3	115.9710	0.814	3	116.0103	0.670	80	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6,6a]N[6]H)(CCO)(H)	C(NC[6]H)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6,6a]N[6]H)(CCO)(H)	115.4290	0.000	1	115.4290	0.000	1	116.0103	0.670	80	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6]2C)(CCO)(H)	C(NC[6]H)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6]2C)(CCO)(H)	116.1644	0.737	5	116.1644	0.543	5	116.0103	0.670	80	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6]2H)(CCO)(H)	116.0583	0.877	54	116.0583	0.770	54	116.0103	0.670	80	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6]N[6]C)(CCO)(H)	C(NC[6]H)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6]N[6]C)(CCO)(H)	115.3180	0.000	1	115.3180	0.000	1	116.0103	0.670	80	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6]N[6]H)(CCO)(H)	C(NC[6]H)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6]N[6]H)(CCO)(H)	115.0350	0.000	1	115.0350	0.000	1	116.0103	0.670	80	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6]O[6]H)(CCO)(H)	C(NC[6]H)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6]O[6]H)(CCO)(H)	115.6933	0.627	7	115.6933	0.393	7	116.0103	0.670	80	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	Si-4:C-3:H-1:	C(NSiH)(CH3)(O)	C(CNO)(H)3	N(SiSi2C)(CCO)(H)	C(NSiH)(CH3)(O)	C(CNO)(H)3	N(SiSi2C)(CCO)(H)	117.9780	0.000	1	117.9780	0.000	1	117.9780	0.000	1	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:I-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CHHI)(O)	C(CNO)(H)2(I)	N(C[5]C[5]2Fe)(CCO)(H)	C(NC[5]H)(CHHI)(O)	C(CNO)(H)2(I)	N(C[5]C[5]2Fe)(CCO)(H)	115.6220	0.000	1	115.6220	0.000	1	115.6220	0.000	1	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:I-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CHHI)(O)	C(CNO)(H)2(I)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CHHI)(O)	C(CNO)(H)2(I)	N(C[6]C[6]2H)(CCO)(H)	116.2950	0.000	1	116.2950	0.000	1	116.2950	0.000	1	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:1:	N-3:C-4:S-1:	C-3:H-1:H-1:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CH3)(S)	C(CNS)(H)3	N(C[5]C[5]2Fe)(CCS)(H)	C(NC[5]H)(CH3)(S)	C(CNS)(H)3	N(C[5]C[5]2Fe)(CCS)(H)	118.1190	0.000	1	118.1190	0.000	1	118.1190	0.000	1	115.8177	1.364	183	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:2:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C-3:O-2:	C(NC[5]O)(CH3)(O)	C(CNO)(H)3	N(C[5]C[5]2C)(CCO)(OH)	C(NC[5]O)(CH3)(O)	C(CNO)(H)3	N(C[5]C[5]2C)(CCO)(OH)	117.8280	0.000	1	117.8280	0.000	1	117.8280	0.000	1	117.2875	0.584	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:2:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6]-4:C-3:N-2:	C(NC[6]N)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6,6a]N[6]H)(CCO)(NC)	C(NC[6]N)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6,6a]N[6]H)(CCO)(NC)	116.7470	0.000	1	116.7470	0.000	1	116.7470	0.000	1	117.2875	0.584	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:3:	N-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[6]-4:N[5]-3:C-3:	C(NC[6]N[5])(CF3)(O)	C(CNO)(F)3	N(C[6]C[6,6a]C[6]H)(N[5]C[5]2)(CCO)	C(NC[6]N[5])(CF3)(O)	C(CNO)(F)3	N(C[6]C[6,6a]C[6]H)(N[5]C[5]2)(CCO)	121.6460	0.000	1	121.6460	0.000	1	121.6460	0.000	1	118.1806	2.801	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C-4:C[6a]-3:C-3:	C(NC[6a]C)(CH3)(O)	C(CNO)(H)3	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCO)	C(NC[6a]C)(CH3)(O)	C(CNO)(H)3	N(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCO)	117.6060	0.000	1	117.6060	0.000	1	117.6060	0.000	1	118.1806	2.801	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6]-4:C-3:C-3:	C(NC[6]C)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6]2C)(CCO)(COO)	C(NC[6]C)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6]2C)(CCO)(COO)	117.6300	0.000	1	117.6300	0.000	1	118.5584	1.005	5	118.1806	2.801	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6]-4:C-3:C-3:	C(NC[6]C)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6]2H)(CCO)(CNO)	C(NC[6]C)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6]2H)(CCO)(CNO)	118.1950	0.000	1	118.1950	0.000	1	118.5584	1.005	5	118.1806	2.801	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6]-4:C-3:C-3:	C(NC[6]C)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6]2H)(CCO)2	C(NC[6]C)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6]2H)(CCO)2	118.9890	1.111	3	118.9890	1.235	3	118.5584	1.005	5	118.1806	2.801	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6]-4:C[6a]-3:C-3:	C(NC[6a]C[6])(CH3)(O)	C(CNO)(H)3	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	C(NC[6a]C[6])(CH3)(O)	C(CNO)(H)3	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	116.5873	0.509	3	116.5873	0.259	3	116.5873	0.259	3	118.1806	2.801	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:4:3:	N-3:C-4:O-1:	C-3:Cl-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C(NC[6]2)(CClHH)(O)	C(CNO)(Cl)(H)2	N(C[6]C[6]2H)2(CCO)	C(NC[6]2)(CClHH)(O)	C(CNO)(Cl)(H)2	N(C[6]C[6]2H)2(CCO)	118.3120	0.000	1	118.3120	0.000	1	118.3120	0.000	1	118.2276	0.330	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:4:3:	N-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[6]-4:C-4:C-3:	C(NC[6]C)(CF3)(O)	C(CNO)(F)3	N(C[6]C[6]2H)(CCHH)(CCO)	C(NC[6]C)(CF3)(O)	C(CNO)(F)3	N(C[6]C[6]2H)(CCHH)(CCO)	117.7190	0.000	1	117.7190	0.000	1	118.1010	0.130	3	118.2276	0.330	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:4:3:	N-3:C-4:O-1:	C-3:F-1:F-1:F-1:	C[6]-4:C-4:C-3:	C(NC[6]C)(CF3)(O)	C(CNO)(F)3	N(C[6]C[6]2H)(CC[6a]CH)(CCO)	C(NC[6]C)(CF3)(O)	C(CNO)(F)3	N(C[6]C[6]2H)(CC[6a]CH)(CCO)	118.2920	0.205	2	118.2920	0.042	2	118.1010	0.130	3	118.2276	0.330	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:4:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(NC[5]2)(CH3)(O)	C(CNO)(H)3	N(C[5]C[5,6a]C[5]H)(C[5]C[5]2H)(CCO)	C(NC[5]2)(CH3)(O)	C(CNO)(H)3	N(C[5]C[5,6a]C[5]H)(C[5]C[5]2H)(CCO)	118.4920	0.000	1	118.4920	0.000	1	117.8907	0.630	3	118.2276	0.330	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:4:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C[5]-4:C-3:	C(NC[5]2)(CH3)(O)	C(CNO)(H)3	N(C[5]C[5]2Fe)2(CCO)	C(NC[5]2)(CH3)(O)	C(CNO)(H)3	N(C[5]C[5]2Fe)2(CCO)	117.5900	0.847	2	117.5900	0.718	2	117.8907	0.630	3	118.2276	0.330	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:4:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6]-4:C-4:C-3:	C(NC[6]C)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6]O[6]H)(CC[6a]HH)(CCO)	C(NC[6]C)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6]O[6]H)(CC[6a]HH)(CCO)	119.2270	0.000	1	119.2270	0.000	1	119.2270	0.000	1	118.2276	0.330	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:4:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6]-4:C[6]-4:C-3:	C(NC[6]2)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6]2H)2(CCO)	C(NC[6]2)(CH3)(O)	C(CNO)(H)3	N(C[6]C[6]2H)2(CCO)	118.3240	0.000	1	118.3240	0.000	1	118.3240	0.000	1	118.2276	0.330	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	4:4:3:	N-3:C-4:O-1:	C-3:H-1:H-1:I-1:	C[6]-4:C[6]-4:C-3:	C(NC[6]2)(CHHI)(O)	C(CNO)(H)2(I)	N(C[6]C[6]2H)2(CCO)	C(NC[6]2)(CHHI)(O)	C(CNO)(H)2(I)	N(C[6]C[6]2H)2(CCO)	118.4380	0.000	1	118.4380	0.000	1	118.4380	0.000	1	118.2276	0.330	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	6:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	B[5x3,5x5,20x6]-6:C-3:H-1:	C(NB[5x3,5x5,20x6]H)(CH3)(O)	C(CNO)(H)3	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCO)(H)	C(NB[5x3,5x5,20x6]H)(CH3)(O)	C(CNO)(H)3	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCO)(H)	116.7427	0.517	6	116.7427	0.268	6	116.6521	0.226	8	116.6521	0.226	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	6:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	B[5x3,5x5,20x6]-6:C-3:H-1:	C(NB[5x3,5x5,20x6]H)(CH3)(O)	C(CNO)(H)3	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCO)(H)	C(NB[5x3,5x5,20x6]H)(CH3)(O)	C(CNO)(H)3	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCO)(H)	116.3805	0.217	2	116.3805	0.047	2	116.6521	0.226	8	116.6521	0.226	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	6:4:3:	N-3:C-4:H-1:	C-3:H-1:H-1:H-1:	B[3x3,3x5,12x6]-6:C-4:C-3:	C(NB[3x3,3x5,12x6]C)(CH3)(H)	C(CHN)(H)3	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Fe)(CH3)(CCH)	C(NB[3x3,3x5,12x6]C)(CH3)(H)	C(CHN)(H)3	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Fe)(CH3)(CCH)	129.0720	0.000	1	129.0720	0.000	1	127.7263	1.854	3	127.7263	1.854	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:1:1:1:	6:4:3:	N-3:C-4:H-1:	C-3:H-1:H-1:H-1:	B[3x3,3x5,12x6]-6:C-4:C-3:	C(NB[3x3,3x5,12x6]C)(CH3)(H)	C(CHN)(H)3	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Sn)(CCHH)(CCH)	C(NB[3x3,3x5,12x6]C)(CH3)(H)	C(CHN)(H)3	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Sn)(CCHH)(CCH)	127.0535	0.996	2	127.0535	0.993	2	127.7263	1.854	3	127.7263	1.854	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:2:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:C-2:H-1:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CCHH)(O)	C(CNO)(CN)(H)2	N(C[5a]C[5a]2)(CCO)(H)	C(NC[5a]H)(CCHH)(O)	C(CNO)(CN)(H)2	N(C[5a]C[5a]2)(CCO)(H)	113.1010	0.000	1	113.1010	0.000	1	113.1010	0.000	1	115.1188	3.328	34	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:2:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:C-2:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CNO)(CN)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CNO)(CN)(H)2	N(C[6a]C[6a]2)(CCO)(H)	112.6440	0.000	1	112.6440	0.000	1	114.5655	12.751	4	115.1188	3.328	34	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:2:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:C-2:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CNO)(CN)(H)2	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CNO)(CN)(H)2	N(C[6a]C[6a]N[6a])(CCO)(H)	112.8660	0.690	2	112.8660	0.476	2	114.5655	12.751	4	115.1188	3.328	34	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:2:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:C-2:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CNO)(CN)(H)2	N(C[6a]N[6a]2)(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CNO)(CN)(H)2	N(C[6a]N[6a]2)(CCO)(H)	119.8860	0.000	1	119.8860	0.000	1	114.5655	12.751	4	115.1188	3.328	34	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:2:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:N-2:H-1:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CHHN)(O)	C(CNO)(NC)(H)2	N(C[5a]C[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CHHN)(O)	C(CNO)(NC)(H)2	N(C[5a]C[5a]S[5a])(CCO)(H)	115.9633	0.660	3	115.9633	0.436	3	115.9633	0.436	3	115.1188	3.328	34	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:2:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:N-2:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHN)(O)	C(CNO)(NC)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHN)(O)	C(CNO)(NC)(H)2	N(C[6a]C[6a]2)(CCO)(H)	115.2953	1.381	3	115.2953	1.908	3	115.2953	1.908	3	115.1188	3.328	34	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:2:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:O-2:H-1:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CHHO)(O)	C(CNO)(OC)(H)2	N(C[5a]C[5a]N[5a])(CCO)(H)	C(NC[5a]H)(CHHO)(O)	C(CNO)(OC)(H)2	N(C[5a]C[5a]N[5a])(CCO)(H)	117.3650	0.000	1	117.3650	0.000	1	117.3650	0.000	1	115.1188	3.328	34	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:2:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:O-2:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHO)(O)	C(CNO)(OC)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHO)(O)	C(CNO)(OC)(H)2	N(C[6a]C[6a]2)(CCO)(H)	115.1249	1.139	12	115.1249	1.297	12	115.1637	1.107	14	115.1188	3.328	34	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:2:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:O-2:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHO)(O)	C(CNO)(OH)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHO)(O)	C(CNO)(OH)(H)2	N(C[6a]C[6a]2)(CCO)(H)	115.3965	0.002	2	115.3965	0.000	2	115.1637	1.107	14	115.1188	3.328	34	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:2:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:S-2:H-1:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CHHS)(O)	C(CNO)(SC)(H)2	N(C[5a]C[5a]N[5a])(CCO)(H)	C(NC[5a]H)(CHHS)(O)	C(CNO)(SC)(H)2	N(C[5a]C[5a]N[5a])(CCO)(H)	115.6620	0.000	1	115.6620	0.000	1	114.1390	4.639	2	115.1188	3.328	34	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:2:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:S-2:H-1:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CHHS)(O)	C(CNO)(SC)(H)2	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CHHS)(O)	C(CNO)(SC)(H)2	N(C[5a]N[5a]S[5a])(CCO)(H)	112.6160	0.000	1	112.6160	0.000	1	114.1390	4.639	2	115.1188	3.328	34	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:2:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:S-2:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHS)(O)	C(CNO)(SC)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHS)(O)	C(CNO)(SC)(H)2	N(C[6a]C[6a]2)(CCO)(H)	116.0307	2.740	4	116.0307	7.506	4	115.1610	6.663	6	115.1188	3.328	34	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:2:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:S-2:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHS)(O)	C(CNO)(SC)(H)2	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CHHS)(O)	C(CNO)(SC)(H)2	N(C[6a]C[6a]N[6a])(CCO)(H)	112.4940	0.000	1	112.4940	0.000	1	115.1610	6.663	6	115.1188	3.328	34	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:2:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:S-2:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHS)(O)	C(CNO)(SHg)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHS)(O)	C(CNO)(SHg)(H)2	N(C[6a]C[6a]2)(CCO)(H)	114.3490	0.000	1	114.3490	0.000	1	115.1610	6.663	6	115.1188	3.328	34	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:2:1:1:	3:3:3:	N-3:C-4:O-1:	C-3:S-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(CHHS)(O)	C(CNO)(SC)(H)2	N(C[6a]C[6a]2)2(CCO)	C(NC[6a]2)(CHHS)(O)	C(CNO)(SC)(H)2	N(C[6a]C[6a]2)2(CCO)	114.8230	0.000	1	114.8230	0.000	1	114.8230	0.000	1	116.7170	2.691	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:2:1:1:	3:3:3:	N-3:C-4:O-1:	C-3:Se-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(CSeHH)(O)	C(CNO)(SeC)(H)2	N(C[6a]C[6a]2)2(CCO)	C(NC[6a]2)(CSeHH)(O)	C(CNO)(SeC)(H)2	N(C[6a]C[6a]2)2(CCO)	117.6640	0.025	2	117.6640	0.001	2	117.6640	0.001	2	116.7170	2.691	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:2:1:1:	3:4:3:	N-3:C-4:H-1:	C-3:O-2:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHHO)(H)	C(CHN)(OH)(H)2	N(C[6a]C[6a]2)(CH3)(CCH)	C(NC[6a]C)(CHHO)(H)	C(CHN)(OH)(H)2	N(C[6a]C[6a]2)(CH3)(CCH)	112.8420	0.000	1	112.8420	0.000	1	112.8420	0.000	1	116.5073	2.392	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:2:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:N-2:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHHN)(O)	C(CNO)(NN)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CHHN)(O)	C(CNO)(NN)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	117.1080	0.000	1	117.1080	0.000	1	117.2320	0.031	2	116.5073	2.392	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:2:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:N-2:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHHN)(O)	C(CNO)(NN)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CHHN)(O)	C(CNO)(NN)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	117.3560	0.000	1	117.3560	0.000	1	117.2320	0.031	2	116.5073	2.392	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:2:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:O-2:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHHO)(O)	C(CNO)(OC)(H)2	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CHHO)(O)	C(CNO)(OC)(H)2	N(C[6a]C[6a]2)(CCCH)(CCO)	116.1640	0.000	1	116.1640	0.000	1	116.8767	0.761	6	116.5073	2.392	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:2:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:O-2:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHHO)(O)	C(CNO)(OC)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CHHO)(O)	C(CNO)(OC)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	117.1417	1.181	3	117.1417	1.396	3	116.8767	0.761	6	116.5073	2.392	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:2:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:O-2:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHHO)(O)	C(CNO)(OC)(H)2	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CHHO)(O)	C(CNO)(OC)(H)2	N(C[6a]C[6a]2)(CH3)(CCO)	116.8355	0.540	2	116.8355	0.291	2	116.8767	0.761	6	116.5073	2.392	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:2:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:C-2:H-1:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCHH)(O)	C(CNO)(CN)(H)2	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCHH)(O)	C(CNO)(CN)(H)2	N(C[6]C[6]2H)(CCO)(H)	115.2190	0.000	1	115.2190	0.000	1	115.2190	0.000	1	115.3950	1.260	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:2:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:O-2:H-1:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CHHO)(O)	C(CNO)(ON)(H)2	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CHHO)(O)	C(CNO)(ON)(H)2	N(C[5]C[5]2H)(CCO)(H)	113.8980	0.000	1	113.8980	0.000	1	113.8980	0.000	1	115.3950	1.260	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:2:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:O-2:H-1:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CHHO)(O)	C(CNO)(OC)(H)2	N(C[6]C[6,6a]C[6]H)(CCO)(H)	C(NC[6]H)(CHHO)(O)	C(CNO)(OC)(H)2	N(C[6]C[6,6a]C[6]H)(CCO)(H)	116.6465	0.241	2	116.6465	0.058	2	116.6465	0.058	2	115.3950	1.260	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:2:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:S-2:H-1:H-1:	C[4]-4:C-3:H-1:	C(NC[4]H)(CHHS)(O)	C(CNO)(SC)(H)2	N(C[4]C[4,6]C[4]H)(CCO)(H)	C(NC[4]H)(CHHS)(O)	C(CNO)(SC)(H)2	N(C[4]C[4,6]C[4]H)(CCO)(H)	114.5600	0.017	2	114.5600	0.000	2	114.5600	0.000	2	115.3950	1.260	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:2:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:S-2:H-1:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CHHS)(O)	C(CNO)(SC)(H)2	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CHHS)(O)	C(CNO)(SC)(H)2	N(C[5]C[5]2H)(CCO)(H)	116.2350	0.000	1	116.2350	0.000	1	116.2350	0.000	1	115.3950	1.260	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:2:2:1:	3:4:3:	N-3:C-4:O-1:	C-3:N-2:O-2:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHNO)(O)	C(CNO)(NC)(OH)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CHNO)(O)	C(CNO)(NC)(OH)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	115.4800	0.940	4	115.4800	0.883	4	115.4800	0.883	4	115.4800	0.883	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:C-3:Br-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CBrCH)(O)	C(CCO)(CNO)(Br)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CBrCH)(O)	C(CCO)(CNO)(Br)(H)	N(C[6a]C[6a]2)(CCO)(H)	116.0180	0.000	1	116.0180	0.000	1	116.0180	0.000	1	115.0649	1.360	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:C-3:F-1:F-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCFF)(O)	C(CCO)(CNO)(F)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCFF)(O)	C(CCO)(CNO)(F)2	N(C[6a]C[6a]2)(CCO)(H)	116.6810	0.000	1	116.6810	0.000	1	116.6810	0.000	1	115.0649	1.360	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:C-3:F-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCFH)(O)	C(CCO)(CNO)(F)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCFH)(O)	C(CCO)(CNO)(F)(H)	N(C[6a]C[6a]2)(CCO)(H)	116.1230	0.000	1	116.1230	0.000	1	116.1230	0.000	1	115.0649	1.360	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CCC)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CCC)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	114.3675	0.593	2	114.3675	0.352	2	115.2754	1.163	34	115.0649	1.360	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CCC)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CCC)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	114.8747	1.272	7	114.8747	1.618	7	115.2754	1.163	34	115.0649	1.360	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CCH)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CCH)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	114.6340	0.000	1	114.6340	0.000	1	115.2754	1.163	34	115.0649	1.360	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CCN)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CCN)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	116.1567	1.213	6	116.1567	1.470	6	115.2754	1.163	34	115.0649	1.360	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CCO)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CCO)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	115.7260	0.000	1	115.7260	0.000	1	115.2754	1.163	34	115.0649	1.360	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CCO)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CCO)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	115.7860	1.047	8	115.7860	1.096	8	115.2754	1.163	34	115.0649	1.360	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CC[6a]N)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CC[6a]N)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	115.1280	0.000	1	115.1280	0.000	1	115.2754	1.163	34	115.0649	1.360	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CNO)2(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CNO)2(H)2	N(C[6a]C[6a]2)(CCO)(H)	114.8480	0.230	6	114.8480	0.053	6	115.2754	1.163	34	115.0649	1.360	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CNO)2(H)2	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CNO)2(H)2	N(C[6a]C[6a]N[6a])(CCO)(H)	114.3500	0.240	2	114.3500	0.058	2	115.2754	1.163	34	115.0649	1.360	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:N-3:H-1:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CHHN)(O)	C(CNO)(NCH)(H)2	N(C[5a]C[5a]2)(CCO)(H)	C(NC[5a]H)(CHHN)(O)	C(CNO)(NCH)(H)2	N(C[5a]C[5a]2)(CCO)(H)	114.7300	0.000	1	114.7300	0.000	1	115.0880	0.668	3	115.0649	1.360	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:N-3:H-1:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CHHN)(O)	C(CNO)(NCH)(H)2	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CHHN)(O)	C(CNO)(NCH)(H)2	N(C[5a]N[5a]S[5a])(CCO)(H)	114.5110	0.000	1	114.5110	0.000	1	115.0880	0.668	3	115.0649	1.360	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:N-3:H-1:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CHHN)(O)	C(CNO)(NHH)(H)2	N(C[5a]C[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CHHN)(O)	C(CNO)(NHH)(H)2	N(C[5a]C[5a]S[5a])(CCO)(H)	116.0230	0.000	1	116.0230	0.000	1	115.0880	0.668	3	115.0649	1.360	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:N-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHN)(O)	C(CNO)(NCC)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHN)(O)	C(CNO)(NCC)(H)2	N(C[6a]C[6a]2)(CCO)(H)	114.4412	1.206	16	114.4412	1.455	16	114.7572	1.667	31	115.0649	1.360	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:N-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHN)(O)	C(CNO)(NCH)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CHHN)(O)	C(CNO)(NCH)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	114.5780	0.974	2	114.5780	0.949	2	114.7572	1.667	31	115.0649	1.360	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:N-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHN)(O)	C(CNO)(NCH)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHN)(O)	C(CNO)(NCH)(H)2	N(C[6a]C[6a]2)(CCO)(H)	115.1735	1.394	13	115.1735	1.944	13	114.7572	1.667	31	115.0649	1.360	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:3:1:	N-3:C-4:O-1:	N-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHN)(O)	C(NC[5a]H)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CHHN)(O)	C(NC[5a]H)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	115.9140	0.000	1	115.9140	0.000	1	115.1900	0.724	7	115.0649	1.360	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:3:1:	N-3:C-4:O-1:	N-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHN)(O)	C(NC[6a]C)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHN)(O)	C(NC[6a]C)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	114.9690	0.755	3	114.9690	0.570	3	115.1900	0.724	7	115.0649	1.360	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:3:1:	N-3:C-4:O-1:	N-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHN)(O)	C(NC[6a]H)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHN)(O)	C(NC[6a]H)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	115.5395	1.309	2	115.5395	1.713	2	115.1900	0.724	7	115.0649	1.360	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:3:1:	N-3:C-4:O-1:	N-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHN)(O)	C(NPdC)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHN)(O)	C(NPdC)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	114.4300	0.000	1	114.4300	0.000	1	115.1900	0.724	7	115.0649	1.360	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:3:1:	N-3:C-4:O-1:	S-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHS)(O)	C(SC[6a]O)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHS)(O)	C(SC[6a]O)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	113.0140	0.000	1	113.0140	0.000	1	113.0140	0.000	1	115.0649	1.360	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:3:1:	N-3:C-4:S-1:	C-3:C-3:H-1:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CCHH)(S)	C(CCN)(CNS)(H)2	N(C[5a]N[5a]2)(CCS)(H)	C(NC[5a]H)(CCHH)(S)	C(CCN)(CNS)(H)2	N(C[5a]N[5a]2)(CCS)(H)	114.9240	0.000	1	114.9240	0.000	1	114.9240	0.000	1	115.0649	1.360	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:3:3:	N-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(CCHH)(O)	C(CCO)(CNO)(H)2	N(C[6a]C[6a]2)2(CCO)	C(NC[6a]2)(CCHH)(O)	C(CCO)(CNO)(H)2	N(C[6a]C[6a]2)2(CCO)	116.0460	0.000	1	116.0460	0.000	1	116.0460	0.000	1	115.4727	1.211	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:3:3:	N-3:C-4:O-1:	S-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(CHHS)(O)	C(SPdC)(CNO)(H)2	N(C[6a]C[6a]2)2(CCO)	C(NC[6a]2)(CHHS)(O)	C(SPdC)(CNO)(H)2	N(C[6a]C[6a]2)2(CCO)	115.1860	1.389	2	115.1860	1.929	2	115.1860	1.929	2	115.4727	1.211	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(O)	C(CCN)(CNO)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CCHH)(O)	C(CCN)(CNO)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	115.7714	0.392	5	115.7714	0.154	5	115.6126	0.710	19	115.6825	0.983	35	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(O)	C(CCN)(CNO)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CCHH)(O)	C(CCN)(CNO)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	116.0140	0.000	1	116.0140	0.000	1	115.6126	0.710	19	115.6825	0.983	35	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(O)	C(CC[6a]N)(CNO)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CCHH)(O)	C(CC[6a]N)(CNO)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	114.8683	0.442	6	114.8683	0.195	6	115.6126	0.710	19	115.6825	0.983	35	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(O)	C(CC[6a]N)(CNO)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CCHH)(O)	C(CC[6a]N)(CNO)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	115.5670	0.000	1	115.5670	0.000	1	115.6126	0.710	19	115.6825	0.983	35	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(O)	C(CC[6a]N)(CNO)(H)2	N(C[6a]C[6a]N[6a])(CH3)(CCO)	C(NC[6a]C)(CCHH)(O)	C(CC[6a]N)(CNO)(H)2	N(C[6a]C[6a]N[6a])(CH3)(CCO)	115.5670	0.000	1	115.5670	0.000	1	115.6126	0.710	19	115.6825	0.983	35	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(O)	C(CHN)(CNO)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(NC[6a]C)(CCHH)(O)	C(CHN)(CNO)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	118.1910	0.000	1	118.1910	0.000	1	115.6126	0.710	19	115.6825	0.983	35	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(O)	C(CNO)2(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CCHH)(O)	C(CNO)2(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	115.8085	0.509	4	115.8085	0.259	4	115.6126	0.710	19	115.6825	0.983	35	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:N-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHHN)(O)	C(CNO)(NCC)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CHHN)(O)	C(CNO)(NCC)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	117.4652	0.112	4	117.4652	0.013	4	117.2434	0.256	5	115.6825	0.983	35	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-3:N-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHHN)(O)	C(CNO)(NCC)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CHHN)(O)	C(CNO)(NCC)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	116.3560	0.000	1	116.3560	0.000	1	117.2434	0.256	5	115.6825	0.983	35	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:4:3:	N-3:C-4:O-1:	N-3:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHHN)(O)	C(NC[6a]C)(CNO)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CHHN)(O)	C(NC[6a]C)(CNO)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	115.3282	0.418	6	115.3282	0.175	6	115.0419	0.435	8	115.6825	0.983	35	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:4:3:	N-3:C-4:O-1:	N-3:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHHN)(O)	C(NPdC)(CNO)(H)2	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CHHN)(O)	C(NPdC)(CNO)(H)2	N(C[6a]C[6a]2)(CH3)(CCO)	114.1830	0.453	2	114.1830	0.205	2	115.0419	0.435	8	115.6825	0.983	35	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:4:3:	N-3:C-4:S-1:	C-3:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(S)	C(CC[6a]N)(CNS)(H)2	N(C[6a]C[6a]2)(CCHH)(CCS)	C(NC[6a]C)(CCHH)(S)	C(CC[6a]N)(CNS)(H)2	N(C[6a]C[6a]2)(CCHH)(CCS)	115.4920	0.000	1	115.4920	0.000	1	115.2313	0.195	3	115.6825	0.983	35	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	3:4:3:	N-3:C-4:S-1:	C-3:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(S)	C(CNS)2(H)2	N(C[6a]C[6a]2)(CCHH)(CCS)	C(NC[6a]C)(CCHH)(S)	C(CNS)2(H)2	N(C[6a]C[6a]2)(CCHH)(CCS)	115.1010	0.537	2	115.1010	0.289	2	115.2313	0.195	3	115.6825	0.983	35	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:C-3:F-1:F-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCFF)(O)	C(CCH)(CNO)(F)2	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCFF)(O)	C(CCH)(CNO)(F)2	N(C[6]C[6]2H)(CCO)(H)	116.9460	0.000	1	116.9460	0.000	1	116.9460	0.000	1	116.1801	4.663	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CCHH)(O)	C(CCH)(CNO)(H)2	N(C[5]C[5,6a]C[6a]C[5])(CCO)(H)	C(NC[5]H)(CCHH)(O)	C(CCH)(CNO)(H)2	N(C[5]C[5,6a]C[6a]C[5])(CCO)(H)	115.8920	0.000	1	115.8920	0.000	1	116.1955	0.184	2	116.1801	4.663	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CCHH)(O)	C(CCO)(CNO)(H)2	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CCHH)(O)	C(CCO)(CNO)(H)2	N(C[5]C[5]2H)(CCO)(H)	116.4990	0.000	1	116.4990	0.000	1	116.1955	0.184	2	116.1801	4.663	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:C-3:H-1:H-1:	C[6,6]-4:C-3:H-1:	C(NC[6,6]H)(CCHH)(O)	C(CCH)(CNO)(H)2	N(C[6,6]C[3x6]2H)(CCO)(H)	C(NC[6,6]H)(CCHH)(O)	C(CCH)(CNO)(H)2	N(C[6,6]C[3x6]2H)(CCO)(H)	114.6750	0.000	1	114.6750	0.000	1	114.6750	0.000	1	116.1801	4.663	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:N-3:H-1:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CHHN)(O)	C(CNO)(NCC)(H)2	N(C[5]C[6a]C[5]N[5])(CCO)(H)	C(NC[5]H)(CHHN)(O)	C(CNO)(NCC)(H)2	N(C[5]C[6a]C[5]N[5])(CCO)(H)	120.3260	0.000	1	120.3260	0.000	1	120.3260	0.000	1	116.1801	4.663	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:N-3:H-1:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CHHN)(O)	C(CNO)(NCC)(H)2	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CHHN)(O)	C(CNO)(NCC)(H)2	N(C[6]C[6]2H)(CCO)(H)	113.5010	0.000	1	113.5010	0.000	1	114.4615	1.845	2	116.1801	4.663	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	4:3:1:	N-3:C-4:O-1:	C-3:N-3:H-1:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CHHN)(O)	C(CNO)(NCH)(H)2	N(C[6]C[6a]C[6]2)(CCO)(H)	C(NC[6]H)(CHHN)(O)	C(CNO)(NCH)(H)2	N(C[6]C[6a]C[6]2)(CCO)(H)	115.4220	0.000	1	115.4220	0.000	1	114.4615	1.845	2	116.1801	4.663	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:1:1:	6:3:1:	N-3:C-4:O-1:	C[6a]-3:C-3:H-1:H-1:	B[5x3,5x5,20x6]-6:C-3:H-1:	C(NB[5x3,5x5,20x6]H)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCO)(H)	C(NB[5x3,5x5,20x6]H)(CC[6a]HH)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(CCO)(H)	116.8500	0.000	1	116.8500	0.000	1	116.8500	0.000	1	116.8500	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:2:1:	3:3:1:	N-3:C-4:O-1:	C-3:C-3:C-2:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCH)(O)	C(CNO)2(CN)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCCH)(O)	C(CNO)2(CN)(H)	N(C[6a]C[6a]2)(CCO)(H)	112.7610	0.000	1	112.7610	0.000	1	112.7610	0.000	1	114.2751	0.498	20	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:2:1:	3:3:1:	N-3:C-4:O-1:	C-3:C-3:N-2:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHN)(O)	C(CNO)(COO)(NC)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHN)(O)	C(CNO)(COO)(NC)(H)	N(C[6a]C[6a]2)(CCO)(H)	113.4950	0.000	1	113.4950	0.000	1	113.4950	0.000	1	114.2751	0.498	20	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:2:1:	3:3:1:	N-3:C-4:O-1:	C-3:C-3:O-2:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHO)(O)	C(CCO)(CNO)(OC)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCHO)(O)	C(CCO)(CNO)(OC)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	114.4026	0.607	18	114.4026	0.368	18	114.4026	0.368	18	114.2751	0.498	20	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:2:1:	3:3:3:	N-3:C-4:O-1:	C-3:C-3:S-2:H-1:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CCHS)(O)	C(CC[3]O)(CNO)(SC)(H)	N(C[6a]C[6a]2)(CCO)2	C(NC[6a]C)(CCHS)(O)	C(CC[3]O)(CNO)(SC)(H)	N(C[6a]C[6a]2)(CCO)2	117.9110	0.000	1	117.9110	0.000	1	117.9110	0.000	1	117.9110	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:2:1:	4:4:3:	N-3:C-4:O-1:	N-3:C-3:O-2:H-1:	C[6]-4:C[6]-4:C-3:	C(NC[6]2)(CHNO)(O)	C(NC[6]2)(CNO)(OH)(H)	N(C[6]C[6]2H)2(CCO)	C(NC[6]2)(CHNO)(O)	C(NC[6]2)(CNO)(OH)(H)	N(C[6]C[6]2H)2(CCO)	120.1550	0.000	1	120.1550	0.000	1	120.1550	0.000	1	120.1550	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:3:1:	3:4:3:	N-3:C-4:O-1:	C-3:C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCCH)(O)	C(CC[6a]O)(CNO)2(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCCH)(O)	C(CC[6a]O)(CNO)2(H)	N(C[6a]C[6a]2)(CH3)(CCO)	116.0815	0.767	2	116.0815	0.589	2	116.0815	0.589	2	116.0815	0.589	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:3:3:3:	4:3:1:	N-3:C-4:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6,6]-4:C-3:H-1:	C(NC[6,6]H)(CC[6a]3)(O)	C(C[6a]C[6a]2)3(CNO)	N(C[6,6]C[3x6]C[6,6]H)(CCO)(H)	C(NC[6,6]H)(CC[6a]3)(O)	C(C[6a]C[6a]2)3(CNO)	N(C[6,6]C[3x6]C[6,6]H)(CCO)(H)	117.2115	1.404	2	117.2115	1.970	2	117.2115	1.970	2	117.2115	1.970	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:4:3:1:	3:3:1:	N-3:C-4:O-1:	C-3:C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCH)(O)	C(CC[6a]O)(CCHH)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCCH)(O)	C(CC[6a]O)(CCHH)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	114.1320	0.000	1	114.1320	0.000	1	114.1320	0.000	1	114.1320	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:4:3:1:	4:3:1:	N-3:C-4:O-1:	N-3:C-4:C-3:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCHN)(O)	C(NC[6a]C)(CCHH)(CNO)(H)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCHN)(O)	C(NC[6a]C)(CCHH)(CNO)(H)	N(C[6]C[6]2H)(CCO)(H)	114.8550	0.000	1	114.8550	0.000	1	114.8550	0.000	1	114.8550	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:4:4:3:	4:3:1:	N-3:C-4:O-1:	N-3:C-4:C-4:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCCN)(O)	C(NC[6a]C)(CH3)2(CNO)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCCN)(O)	C(NC[6a]C)(CH3)2(CNO)	N(C[6]C[6]2H)(CCO)(H)	117.1920	0.000	1	117.1920	0.000	1	117.0480	0.041	2	117.0480	0.041	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	3:4:4:3:	4:3:1:	N-3:C-4:O-1:	N-3:C-4:C-4:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCCN)(O)	C(NC[6a]H)(CCHH)(CH3)(CNO)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCCN)(O)	C(NC[6a]H)(CCHH)(CH3)(CNO)	N(C[6]C[6]2H)(CCO)(H)	116.9040	0.000	1	116.9040	0.000	1	117.0480	0.041	2	117.0480	0.041	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:2:3:1:	3:4:3:	N-3:C-4:O-1:	C-4:S-2:C-3:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHS)(O)	C(CC[6a]CH)(SC[6a])(CNO)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCHS)(O)	C(CC[6a]CH)(SC[6a])(CNO)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	117.8350	0.000	1	117.8350	0.000	1	118.1705	0.225	2	118.1705	0.225	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:2:3:1:	3:4:3:	N-3:C-4:O-1:	C-4:S-2:C-3:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHS)(O)	C(CC[6a]HN)(SC[6a])(CNO)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCHS)(O)	C(CC[6a]HN)(SC[6a])(CNO)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	118.5060	0.000	1	118.5060	0.000	1	118.1705	0.225	2	118.1705	0.225	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:Cl-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CClCH)(O)	C(CC[6a]BrH)(CNO)(Cl)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CClCH)(O)	C(CC[6a]BrH)(CNO)(Cl)(H)	N(C[6a]C[6a]2)(CCO)(H)	113.3720	0.907	2	113.3720	0.822	2	113.3720	0.822	2	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:F-1:F-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCFF)(O)	C(CCFF)(CNO)(F)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCFF)(O)	C(CCFF)(CNO)(F)2	N(C[6a]C[6a]2)(CCO)(H)	114.2140	0.065	2	114.2140	0.004	2	114.6795	0.580	4	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:F-1:F-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCFF)(O)	C(CF3)(CNO)(F)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCFF)(O)	C(CF3)(CNO)(F)2	N(C[6a]C[6a]2)(CCO)(H)	115.1450	0.932	2	115.1450	0.869	2	114.6795	0.580	4	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CCHH)(O)	C(CCCH)(CNO)(H)2	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CCHH)(O)	C(CCCH)(CNO)(H)2	N(C[5a]N[5a]S[5a])(CCO)(H)	115.5252	1.539	4	115.5252	2.370	4	115.3934	3.497	15	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[5a]C[5a]N[5a])(CCO)(H)	C(NC[5a]H)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[5a]C[5a]N[5a])(CCO)(H)	118.7650	0.280	2	118.7650	0.078	2	115.3934	3.497	15	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[5a]N[5a]S[5a])(CCO)(H)	115.1452	1.537	5	115.1452	2.362	5	115.3934	3.497	15	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CCHH)(O)	C(CC[6a]HH)(CNO)(H)2	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CCHH)(O)	C(CC[6a]HH)(CNO)(H)2	N(C[5a]N[5a]S[5a])(CCO)(H)	114.0150	0.208	2	114.0150	0.043	2	115.3934	3.497	15	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CCHH)(O)	C(CHHN)(CNO)(H)2	N(C[5a]C[5a]2)(CCO)(H)	C(NC[5a]H)(CCHH)(O)	C(CHHN)(CNO)(H)2	N(C[5a]C[5a]2)(CCO)(H)	113.7570	0.099	2	113.7570	0.010	2	115.3934	3.497	15	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6]-3:C-3:H-1:	C(NC[6]H)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6]C[6]2)(CCO)(H)	C(NC[6]H)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6]C[6]2)(CCO)(H)	113.7768	0.722	5	113.7768	0.522	5	113.7917	0.849	7	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6]-3:C-3:H-1:	C(NC[6]H)(CCHH)(O)	C(CC[6a]HH)(CNO)(H)2	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CCHH)(O)	C(CC[6a]HH)(CNO)(H)2	N(C[6]C[6]N[6])(CCO)(H)	115.0550	0.000	1	115.0550	0.000	1	113.7917	0.849	7	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6]-3:C-3:H-1:	C(NC[6]H)(CCHH)(O)	C(CHHN)(CNO)(H)2	N(C[6]C[6]2)(CCO)(H)	C(NC[6]H)(CCHH)(O)	C(CHHN)(CNO)(H)2	N(C[6]C[6]2)(CCO)(H)	112.6030	0.000	1	112.6030	0.000	1	113.7917	0.849	7	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CB[5]CH)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CB[5]CH)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	114.7533	0.319	3	114.7533	0.102	3	114.8144	1.809	235	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CBrHH)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CBrHH)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	114.4500	0.000	1	114.4500	0.000	1	114.8144	1.809	235	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CC3)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CC3)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	114.6420	0.000	1	114.6420	0.000	1	114.8144	1.809	235	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CC3)(CNO)(H)2	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CC3)(CNO)(H)2	N(C[6a]C[6a]N[6a])(CCO)(H)	115.3874	0.609	5	115.3874	0.371	5	114.8144	1.809	235	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CCCH)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CCCH)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	114.8990	1.329	2	114.8990	1.767	2	114.8144	1.809	235	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CCCN)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CCCN)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	116.5957	0.233	4	116.5957	0.054	4	114.8144	1.809	235	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CCCO)(CNO)(H)2	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CCCO)(CNO)(H)2	N(C[6a]C[6a]N[6a])(CCO)(H)	114.7040	0.000	1	114.7040	0.000	1	114.8144	1.809	235	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	114.4781	0.866	10	114.4781	0.750	10	114.8144	1.809	235	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	114.6274	1.001	140	114.6274	1.002	140	114.8144	1.809	235	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6a]C[6a]N[6a])(CCO)(H)	115.3616	2.010	9	115.3616	4.039	9	114.8144	1.809	235	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CCHN)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CCHN)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	116.6008	0.549	4	116.6008	0.301	4	114.8144	1.809	235	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CC[5]CH)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CC[5]CH)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	112.7140	0.000	1	112.7140	0.000	1	114.8144	1.809	235	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CC[5a]HH)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CC[5a]HH)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	114.2600	0.000	1	114.2600	0.000	1	114.8144	1.809	235	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CC[6]HH)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CC[6]HH)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	113.8580	0.000	1	113.8580	0.000	1	114.8144	1.809	235	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CC[6]HH)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CC[6]HH)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	118.0312	0.803	4	118.0312	0.645	4	114.8144	1.809	235	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CC[6a]CH)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CC[6a]CH)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	114.5163	0.251	3	114.5163	0.063	3	114.8144	1.809	235	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CC[6a]CH)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CC[6a]CH)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	114.9125	0.644	2	114.9125	0.415	2	114.8144	1.809	235	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CClHH)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CClHH)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	113.9800	0.738	2	113.9800	0.545	2	114.8144	1.809	235	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CH3)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CH3)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	113.2280	0.000	1	113.2280	0.000	1	114.8144	1.809	235	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CH3)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CH3)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	114.4466	1.048	10	114.4466	1.098	10	114.8144	1.809	235	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CH3)(CNO)(H)2	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CH3)(CNO)(H)2	N(C[6a]C[6a]N[6a])(CCO)(H)	113.1550	0.480	3	113.1550	0.230	3	114.8144	1.809	235	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CHHN)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CHHN)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	114.8750	0.000	1	114.8750	0.000	1	114.8144	1.809	235	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CHHN)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CHHN)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	114.4950	1.059	7	114.4950	1.121	7	114.8144	1.809	235	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CHHN)(CNO)(H)2	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CHHN)(CNO)(H)2	N(C[6a]C[6a]N[6a])(CCO)(H)	115.3938	2.826	9	115.3938	7.987	9	114.8144	1.809	235	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CHHS)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CHHS)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	117.5740	0.065	2	117.5740	0.004	2	114.8144	1.809	235	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CN[5]HH)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CN[5]HH)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	113.6718	0.564	4	113.6718	0.319	4	114.8144	1.809	235	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CN[6]CH)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CN[6]CH)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	114.8950	0.000	1	114.8950	0.000	1	114.8144	1.809	235	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CN[6]HH)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CN[6]HH)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	114.1020	0.000	1	114.1020	0.000	1	114.8144	1.809	235	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(O)	C(CTeHH)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHH)(O)	C(CTeHH)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	118.8820	0.895	2	118.8820	0.801	2	114.8144	1.809	235	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	N-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHN)(O)	C(NCCH)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHN)(O)	C(NCCH)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	113.3662	1.058	4	113.3662	1.119	4	112.9800	1.047	6	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	N-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHN)(O)	C(NNiCC)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHN)(O)	C(NNiCC)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	111.9990	0.000	1	111.9990	0.000	1	112.9800	1.047	6	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	N-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHN)(O)	C(NReCC)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHN)(O)	C(NReCC)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	112.4160	0.000	1	112.4160	0.000	1	112.9800	1.047	6	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:O-1:	P-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHP)(O)	C(PO3)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHP)(O)	C(PO3)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	114.9343	1.403	3	114.9343	1.968	3	114.9343	1.968	3	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:S-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(S)	C(CCHH)(CNS)(H)2	N(C[6a]C[5a,6a]C[6a])(CCS)(H)	C(NC[6a]H)(CCHH)(S)	C(CCHH)(CNS)(H)2	N(C[6a]C[5a,6a]C[6a])(CCS)(H)	112.3550	1.387	2	112.3550	1.925	2	112.6843	1.288	3	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:1:	N-3:C-4:S-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(S)	C(CF3)(CNS)(H)2	N(C[6a]C[6a]2)(CCS)(H)	C(NC[6a]H)(CCHH)(S)	C(CF3)(CNS)(H)2	N(C[6a]C[6a]2)(CCS)(H)	113.3430	0.000	1	113.3430	0.000	1	112.6843	1.288	3	114.7455	1.974	275	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6]-3:C-3:C-3:	C(NC[6]C)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6]C[6]2)(CCO)2	C(NC[6]C)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6]C[6]2)(CCO)2	117.7990	1.095	2	117.7990	1.198	2	117.3455	3.240	4	117.0550	1.546	27	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6]-3:C-3:C-3:	C(NC[6]C)(CCHH)(O)	C(CH3)(CNO)(H)2	N(C[6]C[6]2)(CCO)2	C(NC[6]C)(CCHH)(O)	C(CH3)(CNO)(H)2	N(C[6]C[6]2)(CCO)2	116.8920	2.775	2	116.8920	7.699	2	117.3455	3.240	4	117.0550	1.546	27	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6]-3:C[6]-3:C-3:	C(NC[6]2)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6]C[6]N[6])2(CCO)	C(NC[6]2)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6]C[6]N[6])2(CCO)	117.6361	0.738	8	117.6361	0.545	8	117.6361	0.545	8	117.0550	1.546	27	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)2	C(NC[6a]C)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)2	117.7380	2.431	2	117.7380	5.910	2	116.3052	2.718	6	117.0550	1.546	27	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CCHH)(O)	C(CC[6a]HH)(CNO)(H)2	N(C[6a]C[6a]2)(CC[6a]S)(CCO)	C(NC[6a]C)(CCHH)(O)	C(CC[6a]HH)(CNO)(H)2	N(C[6a]C[6a]2)(CC[6a]S)(CCO)	115.5888	0.713	4	115.5888	0.508	4	116.3052	2.718	6	117.0550	1.546	27	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[5a]-3:C-3:	C(NC[5a]C[6a])(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(CCO)	C(NC[5a]C[6a])(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(C[5a]C[5a]S[5a])(CCO)	116.8220	0.000	1	116.8220	0.000	1	116.8220	0.000	1	117.0550	1.546	27	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCO)	C(NC[6a]2)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCO)	116.4120	0.000	1	116.4120	0.000	1	116.9202	0.924	8	117.0550	1.546	27	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6a]C[6a]2)2(CCO)	C(NC[6a]2)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6a]C[6a]2)2(CCO)	118.4450	0.000	1	118.4450	0.000	1	116.9202	0.924	8	117.0550	1.546	27	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:3:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(CCHH)(O)	C(CH3)(CNO)(H)2	N(C[6a]C[6a]2)2(CCO)	C(NC[6a]2)(CCHH)(O)	C(CH3)(CNO)(H)2	N(C[6a]C[6a]2)2(CCO)	116.7508	0.862	6	116.7508	0.743	6	116.9202	0.924	8	117.0550	1.546	27	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:Br-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CBrCH)(O)	C(CC[6a]BrH)(CNO)(Br)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CBrCH)(O)	C(CC[6a]BrH)(CNO)(Br)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	117.4620	0.000	1	117.4620	0.000	1	117.8860	0.360	2	116.9712	1.270	47	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:Br-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CBrCH)(O)	C(CC[6a]HH)(CNO)(Br)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CBrCH)(O)	C(CC[6a]HH)(CNO)(Br)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	118.3100	0.000	1	118.3100	0.000	1	117.8860	0.360	2	116.9712	1.270	47	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:Cl-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CClCH)(O)	C(CC[6a]HO)(CNO)(Cl)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CClCH)(O)	C(CC[6a]HO)(CNO)(Cl)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	117.0020	0.000	1	117.0020	0.000	1	117.0020	0.000	1	116.9712	1.270	47	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[5a]-3:C-4:C-3:	C(NC[5a]C)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[5a]C[5a,6a]C[5a])(CCHH)(CCO)	C(NC[5a]C)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[5a]C[5a,6a]C[5a])(CCHH)(CCO)	117.4050	0.000	1	117.4050	0.000	1	117.4050	0.000	1	116.9712	1.270	47	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[5a]-3:S-4:C-3:	C(NC[5a]S)(CCHH)(O)	C(CC[6a]CH)(CNO)(H)2	N(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(CCO)	C(NC[5a]S)(CCHH)(O)	C(CC[6a]CH)(CNO)(H)2	N(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(CCO)	115.7890	0.000	1	115.7890	0.000	1	115.7890	0.000	1	116.9712	1.270	47	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(CCO)	C(NC[6a]C)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CC[6a]HH)(CCO)	118.3350	0.000	1	118.3350	0.000	1	116.8293	1.565	29	116.9712	1.270	47	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	116.9110	0.789	2	116.9110	0.623	2	116.8293	1.565	29	116.9712	1.270	47	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	117.9655	1.518	2	117.9655	2.305	2	116.8293	1.565	29	116.9712	1.270	47	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6a]C[6a]2)(CH3)(CCO)	117.6007	1.901	3	117.6007	3.614	3	116.8293	1.565	29	116.9712	1.270	47	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(O)	C(CC[5a]HS)(CNO)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CCHH)(O)	C(CC[5a]HS)(CNO)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	117.3710	0.000	1	117.3710	0.000	1	116.8293	1.565	29	116.9712	1.270	47	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(O)	C(CC[6]CC)(CNO)(H)2	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCHH)(O)	C(CC[6]CC)(CNO)(H)2	N(C[6a]C[6a]2)(CH3)(CCO)	118.7550	0.000	1	118.7550	0.000	1	116.8293	1.565	29	116.9712	1.270	47	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(O)	C(CC[6]HH)(CNO)(H)2	N(C[6a]C[6a]2)(CHHO)(CCO)	C(NC[6a]C)(CCHH)(O)	C(CC[6]HH)(CNO)(H)2	N(C[6a]C[6a]2)(CHHO)(CCO)	117.6140	0.000	1	117.6140	0.000	1	116.8293	1.565	29	116.9712	1.270	47	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(O)	C(CC[6a]CH)(CNO)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CCHH)(O)	C(CC[6a]CH)(CNO)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	115.3010	0.000	1	115.3010	0.000	1	116.8293	1.565	29	116.9712	1.270	47	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(O)	C(CC[6a]HH)(CNO)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CCHH)(O)	C(CC[6a]HH)(CNO)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	116.2470	0.000	1	116.2470	0.000	1	116.8293	1.565	29	116.9712	1.270	47	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(O)	C(CC[6a]HH)(CNO)(H)2	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCHH)(O)	C(CC[6a]HH)(CNO)(H)2	N(C[6a]C[6a]2)(CH3)(CCO)	117.0245	0.209	2	117.0245	0.044	2	116.8293	1.565	29	116.9712	1.270	47	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(O)	C(CC[6a]HN)(CNO)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CCHH)(O)	C(CC[6a]HN)(CNO)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	117.0220	0.000	1	117.0220	0.000	1	116.8293	1.565	29	116.9712	1.270	47	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(O)	C(CC[6a]HO)(CNO)(H)2	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCHH)(O)	C(CC[6a]HO)(CNO)(H)2	N(C[6a]C[6a]2)(CH3)(CCO)	117.8160	0.000	1	117.8160	0.000	1	116.8293	1.565	29	116.9712	1.270	47	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(O)	C(CH3)(CNO)(H)2	N(C[6a]C[6a]2)(CC[5]HH)(CCO)	C(NC[6a]C)(CCHH)(O)	C(CH3)(CNO)(H)2	N(C[6a]C[6a]2)(CC[5]HH)(CCO)	116.5780	0.000	1	116.5780	0.000	1	116.8293	1.565	29	116.9712	1.270	47	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(O)	C(CHHN)(CNO)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CCHH)(O)	C(CHHN)(CNO)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	114.1885	0.861	2	114.1885	0.741	2	116.8293	1.565	29	116.9712	1.270	47	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(O)	C(CHHN)(CNO)(H)2	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCHH)(O)	C(CHHN)(CNO)(H)2	N(C[6a]C[6a]2)(CH3)(CCO)	116.0665	0.503	4	116.0665	0.253	4	116.8293	1.565	29	116.9712	1.270	47	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(O)	C(CHHS)(CNO)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CCHH)(O)	C(CHHS)(CNO)(H)2	N(C[6a]C[6a]2)(CCHH)(CCO)	116.7265	0.487	4	116.7265	0.237	4	116.8293	1.565	29	116.9712	1.270	47	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHH)(O)	C(CHPP)(CNO)(H)2	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCHH)(O)	C(CHPP)(CNO)(H)2	N(C[6a]C[6a]2)(CH3)(CCO)	116.8590	0.000	1	116.8590	0.000	1	116.8293	1.565	29	116.9712	1.270	47	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6]-4:C-3:	C(NC[6a]C[6])(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C(NC[6a]C[6])(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	117.2998	0.729	4	117.2998	0.531	4	117.3119	0.764	9	116.9712	1.270	47	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:C[6]-4:C-3:	C(NC[6a]C[6])(CCHH)(O)	C(CH3)(CNO)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C(NC[6a]C[6])(CCHH)(O)	C(CH3)(CNO)(H)2	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	117.3216	1.063	5	117.3216	1.130	5	117.3119	0.764	9	116.9712	1.270	47	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:S-4:C-3:	C(NC[6a]S)(CCHH)(O)	C(CC[6a]CH)(CNO)(H)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C(NC[6a]S)(CCHH)(O)	C(CC[6a]CH)(CNO)(H)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	115.7070	0.000	1	115.7070	0.000	1	116.9552	1.086	4	116.9712	1.270	47	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:S-4:C-3:	C(NC[6a]S)(CCHH)(O)	C(CC[6a]HS)(CNO)(H)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C(NC[6a]S)(CCHH)(O)	C(CC[6a]HS)(CNO)(H)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	116.4840	0.000	1	116.4840	0.000	1	116.9552	1.086	4	116.9712	1.270	47	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6a]-3:S-4:C-3:	C(NC[6a]S)(CCHH)(O)	C(CHHO)(CNO)(H)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C(NC[6a]S)(CCHH)(O)	C(CHHO)(CNO)(H)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	117.8150	0.000	2	117.8150	0.000	2	116.9552	1.086	4	116.9712	1.270	47	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	4:3:1:	N-3:C-4:H-1:	C-4:C-3:H-1:H-1:	C[6]-4:C-3:O-1:	C(NC[6]O)(CCHH)(H)	C(CCHH)(CHN)(H)2	N(C[6]C[6,6]C[6]H)(CCH)(O)	C(NC[6]O)(CCHH)(H)	C(CCHH)(CHN)(H)2	N(C[6]C[6,6]C[6]H)(CCH)(O)	122.5690	0.000	1	122.5690	0.000	1	122.5690	0.000	1	115.8222	2.699	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	4:3:1:	N-3:C-4:O-1:	C-4:C-3:Cl-1:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CClCH)(O)	C(CCHH)(CNO)(Cl)(H)	N(C[6]C[6]O[6]H)(CCO)(H)	C(NC[6]H)(CClCH)(O)	C(CCHH)(CNO)(Cl)(H)	N(C[6]C[6]O[6]H)(CCO)(H)	114.7700	0.000	1	114.7700	0.000	1	114.7700	0.000	1	115.8222	2.699	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	4:3:1:	N-3:C-4:O-1:	C-4:C-3:F-1:F-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCFF)(O)	C(CCFF)(CNO)(F)2	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCFF)(O)	C(CCFF)(CNO)(F)2	N(C[6]C[6]2H)(CCO)(H)	114.7127	0.583	4	114.7127	0.340	4	114.7127	0.340	4	115.8222	2.699	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	4:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CCHH)(O)	C(CCCH)(CNO)(H)2	N(C[5]C[5]N[5]C)(CCO)(H)	C(NC[5]H)(CCHH)(O)	C(CCCH)(CNO)(H)2	N(C[5]C[5]N[5]C)(CCO)(H)	115.6080	0.000	1	115.6080	0.000	1	116.3430	0.810	3	115.8222	2.699	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	4:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[5]N[5,5]C[5]H)(CCO)(H)	C(NC[5]H)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[5]N[5,5]C[5]H)(CCO)(H)	116.0740	0.000	1	116.0740	0.000	1	116.3430	0.810	3	115.8222	2.699	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	4:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CCHH)(O)	C(CC[6a]2H)(CNO)(H)2	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CCHH)(O)	C(CC[6a]2H)(CNO)(H)2	N(C[5]C[5]2H)(CCO)(H)	117.3470	0.000	1	117.3470	0.000	1	116.3430	0.810	3	115.8222	2.699	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	4:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6]C[6]2C)(CCO)(H)	C(NC[6]H)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6]C[6]2C)(CCO)(H)	115.8530	0.000	1	115.8530	0.000	1	115.6459	0.619	16	115.8222	2.699	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	4:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6]C[6]2H)(CCO)(H)	115.6803	0.767	8	115.6803	0.588	8	115.6459	0.619	16	115.8222	2.699	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	4:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCHH)(O)	C(CCHN)(CNO)(H)2	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCHH)(O)	C(CCHN)(CNO)(H)2	N(C[6]C[6]2H)(CCO)(H)	115.5260	1.193	3	115.5260	1.423	3	115.6459	0.619	16	115.8222	2.699	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	4:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCHH)(O)	C(CCHO)(CNO)(H)2	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCHH)(O)	C(CCHO)(CNO)(H)2	N(C[6]C[6]2H)(CCO)(H)	115.8590	0.000	1	115.8590	0.000	1	115.6459	0.619	16	115.8222	2.699	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	4:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCHH)(O)	C(CC[6a]2H)(CNO)(H)2	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCHH)(O)	C(CC[6a]2H)(CNO)(H)2	N(C[6]C[6]2H)(CCO)(H)	116.1320	0.000	2	116.1320	0.000	2	115.6459	0.619	16	115.8222	2.699	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	4:3:1:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCHH)(O)	C(CH3)(CNO)(H)2	N(C[6]C[6,6a]2H)(CCO)(H)	C(NC[6]H)(CCHH)(O)	C(CH3)(CNO)(H)2	N(C[6]C[6,6a]2H)(CCO)(H)	114.3390	0.000	1	114.3390	0.000	1	115.6459	0.619	16	115.8222	2.699	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	4:3:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6]-4:C-3:C-3:	C(NC[6]C)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6]C[6]2H)(CCO)(CNO)	C(NC[6]C)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[6]C[6]2H)(CCO)(CNO)	119.2420	1.233	2	119.2420	1.521	2	118.9170	1.077	3	118.9170	1.077	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	4:3:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[6]-4:C-3:C-3:	C(NC[6]C)(CCHH)(O)	C(CHHN)(CNO)(H)2	N(C[6]C[6]2H)(CCO)(CNO)	C(NC[6]C)(CCHH)(O)	C(CHHN)(CNO)(H)2	N(C[6]C[6]2H)(CCO)(CNO)	118.2670	0.000	1	118.2670	0.000	1	118.9170	1.077	3	118.9170	1.077	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:1:1:	4:4:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[5]-4:C-4:C-3:	C(NC[5]C)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[5]C[5]2Fe)(CCHH)(CCO)	C(NC[5]C)(CCHH)(O)	C(CCHH)(CNO)(H)2	N(C[5]C[5]2Fe)(CCHH)(CCO)	117.1290	0.000	1	117.1290	0.000	1	117.1290	0.000	1	117.1290	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:2:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:N-2:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHN)(O)	C(CC[6a]HH)(CNO)(NC)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHN)(O)	C(CC[6a]HH)(CNO)(NC)(H)	N(C[6a]C[6a]2)(CCO)(H)	115.1880	0.000	1	115.1880	0.000	1	115.1880	0.000	1	115.7118	2.746	21	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:2:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:O-2:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CCHO)(O)	C(CCHO)(CNO)(OH)(H)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CCHO)(O)	C(CCHO)(CNO)(OH)(H)	N(C[5a]N[5a]S[5a])(CCO)(H)	114.9530	0.000	1	114.9530	0.000	1	114.9530	0.000	1	115.7118	2.746	21	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:2:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHO)(O)	C(CCCH)(CNO)(OH)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHO)(O)	C(CCCH)(CNO)(OH)(H)	N(C[6a]C[6a]2)(CCO)(H)	116.0353	0.835	7	116.0353	0.697	7	115.7793	2.999	19	115.7118	2.746	21	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:2:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHO)(O)	C(CCCH)(CNO)(OS)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHO)(O)	C(CCCH)(CNO)(OS)(H)	N(C[6a]C[6a]2)(CCO)(H)	118.3720	0.000	1	118.3720	0.000	1	115.7793	2.999	19	115.7118	2.746	21	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:2:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHO)(O)	C(CCHO)(CNO)(OC)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHO)(O)	C(CCHO)(CNO)(OC)(H)	N(C[6a]C[6a]2)(CCO)(H)	111.8170	0.000	1	111.8170	0.000	1	115.7793	2.999	19	115.7118	2.746	21	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:2:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHO)(O)	C(CCHO)(CNO)(OH)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHO)(O)	C(CCHO)(CNO)(OH)(H)	N(C[6a]C[6a]2)(CCO)(H)	116.2090	0.000	1	116.2090	0.000	1	115.7793	2.999	19	115.7118	2.746	21	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:2:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHO)(O)	C(CCOO)(CNO)(OH)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHO)(O)	C(CCOO)(CNO)(OH)(H)	N(C[6a]C[6a]2)(CCO)(H)	115.1520	0.000	1	115.1520	0.000	1	115.7793	2.999	19	115.7118	2.746	21	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:2:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHO)(O)	C(CC[6]CH)(CNO)(OH)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHO)(O)	C(CC[6]CH)(CNO)(OH)(H)	N(C[6a]C[6a]2)(CCO)(H)	114.3940	0.000	1	114.3940	0.000	1	115.7793	2.999	19	115.7118	2.746	21	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:2:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHO)(O)	C(CC[6a]CH)(CNO)(OH)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHO)(O)	C(CC[6a]CH)(CNO)(OH)(H)	N(C[6a]C[6a]2)(CCO)(H)	114.8700	0.522	2	114.8700	0.272	2	115.7793	2.999	19	115.7118	2.746	21	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:2:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHO)(O)	C(CC[6a]HN)(CNO)(OH)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHO)(O)	C(CC[6a]HN)(CNO)(OH)(H)	N(C[6a]C[6a]2)(CCO)(H)	117.4630	1.553	2	117.4630	2.411	2	115.7793	2.999	19	115.7118	2.746	21	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:2:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHO)(O)	C(CC[6a]HS)(CNO)(OH)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHO)(O)	C(CC[6a]HS)(CNO)(OH)(H)	N(C[6a]C[6a]2)(CCO)(H)	117.3100	0.000	1	117.3100	0.000	1	115.7793	2.999	19	115.7118	2.746	21	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:2:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHO)(O)	C(CH3)(CNO)(OS)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CCHO)(O)	C(CH3)(CNO)(OS)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	114.8195	3.200	2	114.8195	10.238	2	115.7793	2.999	19	115.7118	2.746	21	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:2:1:	3:3:3:	N-3:C-4:O-1:	C-4:C-3:O-2:H-1:	N[6a]-3:C-3:C-3:	C(NN[6a]C)(CCHO)(O)	C(CH3)(CNO)(OC)(H)	N(N[6a]C[6a]2)(CCO)2	C(NN[6a]C)(CCHO)(O)	C(CH3)(CNO)(OC)(H)	N(N[6a]C[6a]2)(CCO)2	117.9143	1.444	3	117.9143	2.085	3	117.9143	2.085	3	117.9143	2.085	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:2:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:N-2:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHN)(O)	C(CCCH)(CNO)(NC)(H)	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CCHN)(O)	C(CCCH)(CNO)(NC)(H)	N(C[6a]C[6a]2)(CCCH)(CCO)	113.9890	0.000	1	113.9890	0.000	1	114.8005	0.475	4	115.8269	1.651	18	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:2:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:N-2:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHN)(O)	C(CCHH)(CNO)(NC)(H)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CCHN)(O)	C(CCHH)(CNO)(NC)(H)	N(C[6a]C[6a]2)(CCHH)(CCO)	114.6080	0.000	1	114.6080	0.000	1	114.8005	0.475	4	115.8269	1.651	18	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:2:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:N-2:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHN)(O)	C(CH3)(CNO)(NC)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCHN)(O)	C(CH3)(CNO)(NC)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	115.3025	0.474	2	115.3025	0.225	2	114.8005	0.475	4	115.8269	1.651	18	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:2:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHO)(O)	C(CC[6a]HN)(CNO)(OC)(H)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CCHO)(O)	C(CC[6a]HN)(CNO)(OC)(H)	N(C[6a]C[6a]2)(CCHH)(CCO)	115.9980	0.000	1	115.9980	0.000	1	116.1201	1.632	14	115.8269	1.651	18	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:2:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHO)(O)	C(CC[6a]HN)(CNO)(OH)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CCHO)(O)	C(CC[6a]HN)(CNO)(OH)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	117.6810	0.000	1	117.6810	0.000	1	116.1201	1.632	14	115.8269	1.651	18	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:2:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHO)(O)	C(CC[6a]HS)(CNO)(OC)(H)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CCHO)(O)	C(CC[6a]HS)(CNO)(OC)(H)	N(C[6a]C[6a]2)(CCHH)(CCO)	115.6476	0.790	10	115.6476	0.625	10	116.1201	1.632	14	115.8269	1.651	18	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:2:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHO)(O)	C(CCl3)(CNO)(OC)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCHO)(O)	C(CCl3)(CNO)(OC)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	116.1030	0.000	1	116.1030	0.000	1	116.1201	1.632	14	115.8269	1.651	18	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:2:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:O-2:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHO)(O)	C(CH3)(CNO)(OC)(H)	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CCHO)(O)	C(CH3)(CNO)(OC)(H)	N(C[6a]C[6a]2)(CCCH)(CCO)	119.4240	0.000	1	119.4240	0.000	1	116.1201	1.632	14	115.8269	1.651	18	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:2:1:	4:3:1:	N-3:C-4:O-1:	C-4:C-3:N-2:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CCHN)(O)	C(CCCH)(CNO)(NC)(H)	N(C[5]C[5]2C)(CCO)(H)	C(NC[5]H)(CCHN)(O)	C(CCCH)(CNO)(NC)(H)	N(C[5]C[5]2C)(CCO)(H)	119.3760	0.000	1	119.3760	0.000	1	116.6915	14.413	2	117.0242	5.324	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:2:1:	4:3:1:	N-3:C-4:O-1:	C-4:C-3:N-2:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CCHN)(O)	C(CH3)(CNO)(NC)(H)	N(C[5]C[5]2Fe)(CCO)(H)	C(NC[5]H)(CCHN)(O)	C(CH3)(CNO)(NC)(H)	N(C[5]C[5]2Fe)(CCO)(H)	114.0070	0.000	1	114.0070	0.000	1	116.6915	14.413	2	117.0242	5.324	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:2:1:	4:3:1:	N-3:C-4:O-1:	C-4:C-3:N-2:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCHN)(O)	C(CC[6a]HH)(CNO)(NC)(H)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCHN)(O)	C(CC[6a]HH)(CNO)(NC)(H)	N(C[6]C[6]2H)(CCO)(H)	116.6100	0.000	1	116.6100	0.000	1	116.6100	0.000	1	117.0242	5.324	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:2:1:	4:3:1:	N-3:C-4:O-1:	C-4:C-3:O-2:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CCHO)(O)	C(CH3)(CNO)(OC)(H)	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CCHO)(O)	C(CH3)(CNO)(OC)(H)	N(C[5]C[5]2H)(CCO)(H)	118.1040	0.000	1	118.1040	0.000	1	118.1040	0.000	1	117.0242	5.324	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:2:2:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:C-2:N-2:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCCN)(O)	C(CH3)(CNO)(CN)(NC)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCCN)(O)	C(CH3)(CNO)(CN)(NC)	N(C[6a]C[6a]2)(CH3)(CCO)	116.3210	0.000	1	116.3210	0.000	1	116.3210	0.000	1	116.3210	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CCCH)(O)	C(CH3)(CCN)(CNO)(H)	N(C[5a]N[5a]2)(CCO)(H)	C(NC[5a]H)(CCCH)(O)	C(CH3)(CCN)(CNO)(H)	N(C[5a]N[5a]2)(CCO)(H)	115.6290	0.000	1	115.6290	0.000	1	115.6290	0.000	1	114.9437	1.590	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCH)(O)	C(CCHN)(CNO)(COO)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCCH)(O)	C(CCHN)(CNO)(COO)(H)	N(C[6a]C[6a]2)(CCO)(H)	115.4150	0.000	1	115.4150	0.000	1	115.2690	0.495	7	114.9437	1.590	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCH)(O)	C(CC[6a]2H)(CCO)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCCH)(O)	C(CC[6a]2H)(CCO)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	114.4950	0.000	1	114.4950	0.000	1	115.2690	0.495	7	114.9437	1.590	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCH)(O)	C(CC[6a]CH)(CNO)2(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCCH)(O)	C(CC[6a]CH)(CNO)2(H)	N(C[6a]C[6a]2)(CCO)(H)	115.2605	0.329	2	115.2605	0.108	2	115.2690	0.495	7	114.9437	1.590	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCH)(O)	C(CH3)(CCH)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCCH)(O)	C(CH3)(CCH)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	115.4855	1.450	2	115.4855	2.103	2	115.2690	0.495	7	114.9437	1.590	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCH)(O)	C(CH3)(CNO)(COO)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCCH)(O)	C(CH3)(CNO)(COO)(H)	N(C[6a]C[6a]2)(CCO)(H)	115.4810	0.000	1	115.4810	0.000	1	115.2690	0.495	7	114.9437	1.590	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CCHN)(O)	C(CCCH)(CNO)(NCH)(H)	N(C[5a]C[5a]N[5a])(CCO)(H)	C(NC[5a]H)(CCHN)(O)	C(CCCH)(CNO)(NCH)(H)	N(C[5a]C[5a]N[5a])(CCO)(H)	116.2530	0.000	1	116.2530	0.000	1	115.1887	0.790	4	114.9437	1.590	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CCHN)(O)	C(CH3)(CNO)(NCH)(H)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CCHN)(O)	C(CH3)(CNO)(NCH)(H)	N(C[5a]N[5a]S[5a])(CCO)(H)	114.8340	0.656	3	114.8340	0.430	3	115.1887	0.790	4	114.9437	1.590	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[6]-3:C-3:H-1:	C(NC[6]H)(CCHN)(O)	C(CH3)(CNO)(NHS)(H)	N(C[6]N[6]S[6])(CCO)(H)	C(NC[6]H)(CCHN)(O)	C(CH3)(CNO)(NHS)(H)	N(C[6]N[6]S[6])(CCO)(H)	115.7777	1.310	3	115.7777	1.716	3	115.7777	1.716	3	114.9437	1.590	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHN)(O)	C(CC3)(CNO)(NCC)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHN)(O)	C(CC3)(CNO)(NCC)(H)	N(C[6a]C[6a]2)(CCO)(H)	113.3970	0.000	1	113.3970	0.000	1	114.8698	1.828	62	114.9437	1.590	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHN)(O)	C(CCCH)(CNO)(NCC)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHN)(O)	C(CCCH)(CNO)(NCC)(H)	N(C[6a]C[6a]2)(CCO)(H)	113.7397	0.296	3	113.7397	0.087	3	114.8698	1.828	62	114.9437	1.590	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHN)(O)	C(CCCH)(CNO)(NCH)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHN)(O)	C(CCCH)(CNO)(NCH)(H)	N(C[6a]C[6a]2)(CCO)(H)	115.9307	1.131	3	115.9307	1.280	3	114.8698	1.828	62	114.9437	1.590	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHN)(O)	C(CCCH)(CNO)(NCS)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHN)(O)	C(CCCH)(CNO)(NCS)(H)	N(C[6a]C[6a]2)(CCO)(H)	114.1155	0.999	2	114.1155	0.998	2	114.8698	1.828	62	114.9437	1.590	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHN)(O)	C(CCCH)(CNO)(NHH)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHN)(O)	C(CCCH)(CNO)(NHH)(H)	N(C[6a]C[6a]2)(CCO)(H)	115.0420	1.325	2	115.0420	1.756	2	114.8698	1.828	62	114.9437	1.590	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHN)(O)	C(CCHH)(CNO)(NCH)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCHN)(O)	C(CCHH)(CNO)(NCH)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	116.5870	0.205	2	116.5870	0.042	2	114.8698	1.828	62	114.9437	1.590	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHN)(O)	C(CCHH)(CNO)(NCH)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHN)(O)	C(CCHH)(CNO)(NCH)(H)	N(C[6a]C[6a]2)(CCO)(H)	115.8980	0.000	1	115.8980	0.000	1	114.8698	1.828	62	114.9437	1.590	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHN)(O)	C(CC[6a]HH)(CNO)(NCC)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHN)(O)	C(CC[6a]HH)(CNO)(NCC)(H)	N(C[6a]C[6a]2)(CCO)(H)	114.9517	2.057	3	114.9517	4.233	3	114.8698	1.828	62	114.9437	1.590	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHN)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHN)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(C[6a]C[6a]2)(CCO)(H)	114.3097	1.654	6	114.3097	2.736	6	114.8698	1.828	62	114.9437	1.590	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHN)(O)	C(CC[6a]HH)(CNO)(NCS)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHN)(O)	C(CC[6a]HH)(CNO)(NCS)(H)	N(C[6a]C[6a]2)(CCO)(H)	115.4150	0.000	1	115.4150	0.000	1	114.8698	1.828	62	114.9437	1.590	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHN)(O)	C(CC[6a]HH)(CNO)(NHH)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHN)(O)	C(CC[6a]HH)(CNO)(NHH)(H)	N(C[6a]C[6a]2)(CCO)(H)	115.3886	1.534	12	115.3886	2.353	12	114.8698	1.828	62	114.9437	1.590	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHN)(O)	C(CH3)(CNO)(NCC)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHN)(O)	C(CH3)(CNO)(NCC)(H)	N(C[6a]C[6a]2)(CCO)(H)	114.6460	0.892	5	114.6460	0.796	5	114.8698	1.828	62	114.9437	1.590	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHN)(O)	C(CH3)(CNO)(NCH)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHN)(O)	C(CH3)(CNO)(NCH)(H)	N(C[6a]C[6a]2)(CCO)(H)	114.7347	1.294	17	114.7347	1.674	17	114.8698	1.828	62	114.9437	1.590	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHN)(O)	C(CH3)(CNO)(NCH)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CCHN)(O)	C(CH3)(CNO)(NCH)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	114.4048	1.099	4	114.4048	1.207	4	114.8698	1.828	62	114.9437	1.590	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:3:1:	N-3:C-4:O-1:	P-4:C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHP)(O)	C(PO3)(CNO)(COO)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHP)(O)	C(PO3)(CNO)(COO)(H)	N(C[6a]C[6a]2)(CCO)(H)	114.3240	0.370	3	114.3240	0.137	3	114.3240	0.137	3	114.9437	1.590	80	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:3:3:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CCHN)(O)	C(CCCH)(CNO)(NCC)(H)	N(C[6a]C[6a]2)(CCO)(COO)	C(NC[6a]C)(CCHN)(O)	C(CCCH)(CNO)(NCC)(H)	N(C[6a]C[6a]2)(CCO)(COO)	114.6070	0.000	1	114.6070	0.000	1	114.6070	0.000	1	114.6070	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:C-3:H-1:	C[5a]-3:C-4:C-3:	C(NC[5a]C)(CCCH)(O)	C(CCHH)(CCN)(CNO)(H)	N(C[5a]N[5a]2)(CCHH)(CCO)	C(NC[5a]C)(CCCH)(O)	C(CCHH)(CCN)(CNO)(H)	N(C[5a]N[5a]2)(CCHH)(CCO)	115.5290	0.369	2	115.5290	0.136	2	115.5290	0.136	2	115.8064	0.931	37	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCCH)(O)	C(CCHH)(CCN)(CNO)(H)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CCCH)(O)	C(CCHH)(CCN)(CNO)(H)	N(C[6a]C[6a]2)(CCHH)(CCO)	115.2540	0.564	3	115.2540	0.318	3	115.8315	1.064	31	115.8064	0.931	37	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCCH)(O)	C(CCHH)(CNO)2(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CCCH)(O)	C(CCHH)(CNO)2(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	115.2950	0.636	2	115.2950	0.405	2	115.8315	1.064	31	115.8064	0.931	37	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCCH)(O)	C(CCHH)(CNO)2(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCCH)(O)	C(CCHH)(CNO)2(H)	N(C[6a]C[6a]2)(CH3)(CCO)	116.4013	1.322	12	116.4013	1.748	12	115.8315	1.064	31	115.8064	0.931	37	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCCH)(O)	C(CC[5]HH)(CNO)2(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCCH)(O)	C(CC[5]HH)(CNO)2(H)	N(C[6a]C[6a]2)(CH3)(CCO)	115.6020	0.419	3	115.6020	0.175	3	115.8315	1.064	31	115.8064	0.931	37	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCCH)(O)	C(CC[5a]HH)(CNO)2(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CCCH)(O)	C(CC[5a]HH)(CNO)2(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	115.2935	0.956	4	115.2935	0.915	4	115.8315	1.064	31	115.8064	0.931	37	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCCH)(O)	C(CC[5a]HH)(CNO)2(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCCH)(O)	C(CC[5a]HH)(CNO)2(H)	N(C[6a]C[6a]2)(CH3)(CCO)	115.6820	0.554	6	115.6820	0.307	6	115.8315	1.064	31	115.8064	0.931	37	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCCH)(O)	C(CHHS)(CCH)(CNO)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCCH)(O)	C(CHHS)(CCH)(CNO)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	115.5390	0.000	1	115.5390	0.000	1	115.8315	1.064	31	115.8064	0.931	37	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:C-3:H-1:	C[6a]-3:S-4:C-3:	C(NC[6a]S)(CCCH)(O)	C(CC[6a]HS)(CNO)(COO)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C(NC[6a]S)(CCCH)(O)	C(CC[6a]HS)(CNO)(COO)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	115.3860	0.000	1	115.3860	0.000	1	115.3860	0.000	1	115.8064	0.931	37	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[5a]-3:C-4:C-3:	C(NC[5a]C)(CCHN)(O)	C(CCCH)(CNO)(NCH)(H)	N(C[5a]C[5a]2)(CC[6a]HH)(CCO)	C(NC[5a]C)(CCHN)(O)	C(CCCH)(CNO)(NCH)(H)	N(C[5a]C[5a]2)(CC[6a]HH)(CCO)	116.6710	0.000	1	116.6710	0.000	1	116.6710	0.000	1	115.8064	0.931	37	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHN)(O)	C(CCHH)(CNO)(NCH)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCHN)(O)	C(CCHH)(CNO)(NCH)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	115.4720	0.380	2	115.4720	0.145	2	115.4720	0.145	2	115.8064	0.931	37	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	4:3:1:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[3x6]-4:C-3:H-1:	C(NC[3x6]H)(CCHN)(O)	C(CH3)(CNO)(NCH)(H)	N(C[3x6]C[6,6]3)(CCO)(H)	C(NC[3x6]H)(CCHN)(O)	C(CH3)(CNO)(NCH)(H)	N(C[3x6]C[6,6]3)(CCO)(H)	113.6790	1.624	2	113.6790	2.636	2	113.6790	2.636	2	116.4404	2.829	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	4:3:1:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[4]-4:C-3:H-1:	C(NC[4]H)(CCHN)(O)	C(CH3)(CNO)(NCH)(H)	N(C[4]C[4]2C)(CCO)(H)	C(NC[4]H)(CCHN)(O)	C(CH3)(CNO)(NCH)(H)	N(C[4]C[4]2C)(CCO)(H)	114.6315	1.050	2	114.6315	1.103	2	114.6315	1.103	2	116.4404	2.829	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	4:3:1:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[5,6]-4:C-3:H-1:	C(NC[5,6]H)(CCHN)(O)	C(CH3)(CNO)(NCH)(H)	N(C[5,6]C[5,5,6]C[5,6]C)(CCO)(H)	C(NC[5,6]H)(CCHN)(O)	C(CH3)(CNO)(NCH)(H)	N(C[5,6]C[5,5,6]C[5,6]C)(CCO)(H)	117.2690	0.000	1	117.2690	0.000	1	116.9210	0.242	2	116.4404	2.829	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	4:3:1:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[5,6]-4:C-3:H-1:	C(NC[5,6]H)(CCHN)(O)	C(CH3)(CNO)(NHH)(H)	N(C[5,6]C[5,5,6]C[5,6]C)(CCO)(H)	C(NC[5,6]H)(CCHN)(O)	C(CH3)(CNO)(NHH)(H)	N(C[5,6]C[5,5,6]C[5,6]C)(CCO)(H)	116.5730	0.000	1	116.5730	0.000	1	116.9210	0.242	2	116.4404	2.829	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	4:3:1:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CCHN)(O)	C(CCCH)(CNO)(NCH)(H)	N(C[5]C[5]2C)(CCO)(H)	C(NC[5]H)(CCHN)(O)	C(CCCH)(CNO)(NCH)(H)	N(C[5]C[5]2C)(CCO)(H)	118.4783	1.091	8	118.4783	1.191	8	116.9217	2.491	34	116.4404	2.829	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	4:3:1:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CCHN)(O)	C(CCHH)(CNO)(NCH)(H)	N(C[5]C[5]2C)(CCO)(H)	C(NC[5]H)(CCHN)(O)	C(CCHH)(CNO)(NCH)(H)	N(C[5]C[5]2C)(CCO)(H)	117.2388	0.670	10	117.2388	0.449	10	116.9217	2.491	34	116.4404	2.829	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	4:3:1:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CCHN)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(C[5]C[5]2C)(CCO)(H)	C(NC[5]H)(CCHN)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(C[5]C[5]2C)(CCO)(H)	116.4630	0.000	1	116.4630	0.000	1	116.9217	2.491	34	116.4404	2.829	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	4:3:1:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CCHN)(O)	C(CH3)(CNO)(NCH)(H)	N(C[5]C[5]2Fe)(CCO)(H)	C(NC[5]H)(CCHN)(O)	C(CH3)(CNO)(NCH)(H)	N(C[5]C[5]2Fe)(CCO)(H)	113.8765	1.045	4	113.8765	1.092	4	116.9217	2.491	34	116.4404	2.829	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	4:3:1:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CCHN)(O)	C(CH3)(CNO)(NCH)(H)	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CCHN)(O)	C(CH3)(CNO)(NCH)(H)	N(C[5]C[5]2H)(CCO)(H)	116.6505	0.898	11	116.6505	0.806	11	116.9217	2.491	34	116.4404	2.829	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	4:3:1:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCHN)(O)	C(CCCH)(CNO)(NCH)(H)	N(C[6]C[6]2C)(CCO)(H)	C(NC[6]H)(CCHN)(O)	C(CCCH)(CNO)(NCH)(H)	N(C[6]C[6]2C)(CCO)(H)	117.5670	1.360	3	117.5670	1.849	3	116.1764	2.652	31	116.4404	2.829	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	4:3:1:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCHN)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCHN)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(C[6]C[6]2H)(CCO)(H)	115.6027	1.325	16	115.6027	1.755	16	116.1764	2.652	31	116.4404	2.829	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	4:3:1:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCHN)(O)	C(CH3)(CNO)(NCH)(H)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCHN)(O)	C(CH3)(CNO)(NCH)(H)	N(C[6]C[6]2H)(CCO)(H)	116.5265	1.892	11	116.5265	3.580	11	116.1764	2.652	31	116.4404	2.829	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	4:3:1:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCHN)(O)	C(CH3)(CNO)(NCH)(H)	N(C[6]C[6]O[6]H)(CCO)(H)	C(NC[6]H)(CCHN)(O)	C(CH3)(CNO)(NCH)(H)	N(C[6]C[6]O[6]H)(CCO)(H)	117.3330	0.000	1	117.3330	0.000	1	116.1764	2.652	31	116.4404	2.829	71	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	4:4:3:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[5,6]-4:C-4:C-3:	C(NC[5,6]C)(CCHN)(O)	C(CCHH)(CNO)(NCH)(H)	N(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)(CCO)	C(NC[5,6]C)(CCHN)(O)	C(CCHH)(CNO)(NCH)(H)	N(C[5,6]C[5,5,6]C[5,6]H)(CC[6a]HH)(CCO)	117.9140	0.000	1	117.9140	0.000	1	117.9140	0.000	1	118.1910	1.852	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:3:3:1:	4:4:3:	N-3:C-4:O-1:	C-4:C-3:N-3:H-1:	C[5]-4:C-4:C-3:	C(NC[5]C)(CCHN)(O)	C(CCHH)(CNO)(NCH)(H)	N(C[5]C[5]2H)(CH3)(CCO)	C(NC[5]C)(CCHN)(O)	C(CCHH)(CNO)(NCH)(H)	N(C[5]C[5]2H)(CH3)(CCO)	118.3295	1.894	2	118.3295	3.589	2	118.3295	3.589	2	118.1910	1.852	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-3:Br-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CBrCC)(O)	C(CH3)2(CNO)(Br)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CBrCC)(O)	C(CH3)2(CNO)(Br)	N(C[6a]C[6a]2)(CCO)(H)	116.8540	1.629	5	116.8540	2.654	5	116.8540	2.654	5	115.4638	1.429	38	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-3:F-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCF)(O)	C(CCCH)(CH3)(CNO)(F)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCCF)(O)	C(CCCH)(CH3)(CNO)(F)	N(C[6a]C[6a]2)(CCO)(H)	115.9990	0.000	1	115.9990	0.000	1	115.9990	0.000	1	115.4638	1.429	38	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-3:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CCCH)(O)	C(CH3)2(CNO)(H)	N(C[5a]C[5a]2)(CCO)(H)	C(NC[5a]H)(CCCH)(O)	C(CH3)2(CNO)(H)	N(C[5a]C[5a]2)(CCO)(H)	115.5635	0.040	2	115.5635	0.002	2	115.5635	0.002	2	115.4638	1.429	38	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-3:H-1:	C[6]-3:C-3:H-1:	C(NC[6]H)(CCCH)(O)	C(CCHH)2(CNO)(H)	N(C[6]C[6]2)(CCO)(H)	C(NC[6]H)(CCCH)(O)	C(CCHH)2(CNO)(H)	N(C[6]C[6]2)(CCO)(H)	116.8420	0.000	1	116.8420	0.000	1	116.8420	0.000	1	115.4638	1.429	38	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCH)(O)	C(CCHH)2(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCCH)(O)	C(CCHH)2(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	117.0465	0.500	2	117.0465	0.250	2	115.1512	0.984	29	115.4638	1.429	38	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCH)(O)	C(CCHO)(CCHS)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCCH)(O)	C(CCHO)(CCHS)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	116.8280	0.000	1	116.8280	0.000	1	115.1512	0.984	29	115.4638	1.429	38	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCH)(O)	C(CCHO)(CH3)(CNO)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCCH)(O)	C(CCHO)(CH3)(CNO)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	116.0560	0.000	1	116.0560	0.000	1	115.1512	0.984	29	115.4638	1.429	38	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCH)(O)	C(CC[6a]2H)(CCHO)(CNO)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCCH)(O)	C(CC[6a]2H)(CCHO)(CNO)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	113.9860	0.000	1	113.9860	0.000	1	115.1512	0.984	29	115.4638	1.429	38	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCH)(O)	C(CC[6a]2H)(CC[6a]HO)(CNO)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCCH)(O)	C(CC[6a]2H)(CC[6a]HO)(CNO)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	114.4790	0.000	1	114.4790	0.000	1	115.1512	0.984	29	115.4638	1.429	38	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCH)(O)	C(CC[6a]CH)(CH3)(CNO)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCCH)(O)	C(CC[6a]CH)(CH3)(CNO)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	114.7140	0.000	1	114.7140	0.000	1	115.1512	0.984	29	115.4638	1.429	38	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCH)(O)	C(CC[6a]C[6]H)(CCHO)(CNO)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCCH)(O)	C(CC[6a]C[6]H)(CCHO)(CNO)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	113.7250	0.000	1	113.7250	0.000	1	115.1512	0.984	29	115.4638	1.429	38	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCH)(O)	C(CC[6a]HH)(CCCH)(CNO)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCCH)(O)	C(CC[6a]HH)(CCCH)(CNO)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	114.9315	0.103	2	114.9315	0.011	2	115.1512	0.984	29	115.4638	1.429	38	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCH)(O)	C(CC[6a]HH)(CH3)(CNO)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CCCH)(O)	C(CC[6a]HH)(CH3)(CNO)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	114.7160	0.000	1	114.7160	0.000	1	115.1512	0.984	29	115.4638	1.429	38	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCH)(O)	C(CC[6a]HN)(CH3)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCCH)(O)	C(CC[6a]HN)(CH3)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	114.4700	0.000	1	114.4700	0.000	1	115.1512	0.984	29	115.4638	1.429	38	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCH)(O)	C(CC[6a]HS)(CCHO)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCCH)(O)	C(CC[6a]HS)(CCHO)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	115.3860	0.000	1	115.3860	0.000	1	115.1512	0.984	29	115.4638	1.429	38	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCH)(O)	C(CH3)2(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCCH)(O)	C(CH3)2(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	115.4591	0.458	8	115.4591	0.210	8	115.1512	0.984	29	115.4638	1.429	38	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCH)(O)	C(CH3)2(CNO)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CCCH)(O)	C(CH3)2(CNO)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	114.0520	0.000	1	114.0520	0.000	1	115.1512	0.984	29	115.4638	1.429	38	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCH)(O)	C(CH3)2(CNO)(H)	N(C[6a]N[6a]2)(CCO)(H)	C(NC[6a]H)(CCCH)(O)	C(CH3)2(CNO)(H)	N(C[6a]N[6a]2)(CCO)(H)	114.2100	0.193	3	114.2100	0.037	3	115.1512	0.984	29	115.4638	1.429	38	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCH)(O)	C(CHHP)2(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCCH)(O)	C(CHHP)2(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	115.3345	1.414	2	115.3345	1.998	2	115.1512	0.984	29	115.4638	1.429	38	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:1:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCH)(O)	C(CHHS)2(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCCH)(O)	C(CHHS)2(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	115.0230	1.838	2	115.0230	3.380	2	115.1512	0.984	29	115.4638	1.429	38	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:1:	3:3:3:	N-3:C-4:O-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CCCH)(O)	C(CCHH)(CH3)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(COO)	C(NC[6a]C)(CCCH)(O)	C(CCHH)(CH3)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(COO)	117.3240	0.000	1	117.3240	0.000	1	117.3240	0.000	1	117.0657	0.697	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:1:	3:3:3:	N-3:C-4:O-1:	C-4:C-4:C-3:H-1:	C[6a]-3:N[5]-3:C-3:	C(NC[6a]N[5])(CCCH)(O)	C(CCHH)(CH3)(CNO)(H)	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	C(NC[6a]N[5])(CCCH)(O)	C(CCHH)(CH3)(CNO)(H)	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	115.7700	0.000	1	115.7700	0.000	1	115.7700	0.000	1	117.0657	0.697	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:1:	3:3:3:	N-3:C-4:O-1:	C-4:C-4:C-3:H-1:	C[6a]-3:N[6a]-3:C-3:	C(NC[6a]N[6a])(CCCH)(O)	C(CHHS)(CH3)(CNO)(H)	N(C[6a]C[6a]2)(N[6a]C[6a]2)(CCO)	C(NC[6a]N[6a])(CCCH)(O)	C(CHHS)(CH3)(CNO)(H)	N(C[6a]C[6a]2)(N[6a]C[6a]2)(CCO)	117.0845	0.169	2	117.0845	0.029	2	117.0845	0.029	2	117.0657	0.697	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:1:	3:3:3:	N-3:C-4:O-1:	C-4:C-4:C-3:H-1:	N[6a]-3:C-3:C-3:	C(NN[6a]C)(CCCH)(O)	C(CH3)2(CNO)(H)	N(N[6a]C[6a]2)(CCO)2	C(NN[6a]C)(CCCH)(O)	C(CH3)2(CNO)(H)	N(N[6a]C[6a]2)(CCO)2	117.5655	1.101	2	117.5655	1.212	2	117.5655	1.212	2	117.0657	0.697	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCCH)(O)	C(CCCN)(CH3)(CNO)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CCCH)(O)	C(CCCN)(CH3)(CNO)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	119.3110	0.000	1	119.3110	0.000	1	117.9045	1.731	4	118.0837	1.653	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCCH)(O)	C(CCHH)(CH3)(CNO)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCCH)(O)	C(CCHH)(CH3)(CNO)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	118.7410	0.000	1	118.7410	0.000	1	117.9045	1.731	4	118.0837	1.653	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCCH)(O)	C(CCHN)(CH3)(CNO)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CCCH)(O)	C(CCHN)(CH3)(CNO)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	116.7790	0.000	1	116.7790	0.000	1	117.9045	1.731	4	118.0837	1.653	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCCH)(O)	C(CHHN)(CH3)(CNO)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCCH)(O)	C(CHHN)(CH3)(CNO)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	116.7870	0.000	1	116.7870	0.000	1	117.9045	1.731	4	118.0837	1.653	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:1:	3:4:3:	N-3:C-4:O-1:	S-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCHS)(O)	C(SC[6a]OO)(CCHH)(CNO)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCHS)(O)	C(SC[6a]OO)(CCHH)(CNO)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	116.6080	0.000	1	116.6080	0.000	1	116.6080	0.000	1	118.0837	1.653	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:1:	3:4:3:	N-3:C-4:S-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCCH)(S)	C(CCCH)(CH3)(CNS)(H)	N(C[6a]C[6a]2)(CH3)(CCS)	C(NC[6a]C)(CCCH)(S)	C(CCCH)(CH3)(CNS)(H)	N(C[6a]C[6a]2)(CH3)(CCS)	119.1010	0.000	1	119.1010	0.000	1	119.1800	0.012	2	118.0837	1.653	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:1:	3:4:3:	N-3:C-4:S-1:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCCH)(S)	C(CCHH)(CH3)(CNS)(H)	N(C[6a]C[6a]2)(CH3)(CCS)	C(NC[6a]C)(CCCH)(S)	C(CCHH)(CH3)(CNS)(H)	N(C[6a]C[6a]2)(CH3)(CCS)	119.2590	0.000	1	119.2590	0.000	1	119.1800	0.012	2	118.0837	1.653	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:1:	4:3:1:	N-3:C-4:H-1:	C-4:C-4:C-3:H-1:	C[6]-4:C-3:O-1:	C(NC[6]O)(CCCH)(H)	C(CH3)2(CHN)(H)	N(C[6]C[6]2H)(CCH)(O)	C(NC[6]O)(CCCH)(H)	C(CH3)2(CHN)(H)	N(C[6]C[6]2H)(CCH)(O)	123.8600	0.000	1	123.8600	0.000	1	123.8600	0.000	1	118.2347	23.737	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:1:	4:3:1:	N-3:C-4:O-1:	C-4:C-4:C-3:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CCCH)(O)	C(CCHH)(CH3)(CNO)(H)	N(C[5]C[5]N[5]H)(CCO)(H)	C(NC[5]H)(CCCH)(O)	C(CCHH)(CH3)(CNO)(H)	N(C[5]C[5]N[5]H)(CCO)(H)	115.3620	0.000	1	115.3620	0.000	1	115.3620	0.000	1	118.2347	23.737	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:1:	4:3:1:	N-3:C-4:O-1:	C-4:C-4:C-3:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCCH)(O)	C(CH3)2(CNO)(H)	N(C[6]C[6]N[6]H)(CCO)(H)	C(NC[6]H)(CCCH)(O)	C(CH3)2(CNO)(H)	N(C[6]C[6]N[6]H)(CCO)(H)	115.4820	0.000	1	115.4820	0.000	1	115.4820	0.000	1	118.2347	23.737	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:2:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-3:N-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCN)(O)	C(CH3)2(CNO)(NN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCCN)(O)	C(CH3)2(CNO)(NN)	N(C[6a]C[6a]2)(CCO)(H)	116.4487	0.839	3	116.4487	0.704	3	116.4487	0.704	3	115.1279	1.452	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:2:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-3:O-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCO)(O)	C(CHHS)(CH3)(CNO)(OH)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCCO)(O)	C(CHHS)(CH3)(CNO)(OH)	N(C[6a]C[6a]2)(CCO)(H)	114.3354	0.308	5	114.3354	0.095	5	114.3354	0.095	5	115.1279	1.452	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:3:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCN)(O)	C(CC[6a]HH)(CCCH)(CNO)(NCH)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCCN)(O)	C(CC[6a]HH)(CCCH)(CNO)(NCH)	N(C[6a]C[6a]2)(CCO)(H)	115.8950	0.000	1	115.8950	0.000	1	115.1063	1.234	20	115.1063	1.234	20	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:3:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCN)(O)	C(CH3)2(CNO)(NCH)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCCN)(O)	C(CH3)2(CNO)(NCH)	N(C[6a]C[6a]2)(CCO)(H)	115.2634	1.092	16	115.2634	1.193	16	115.1063	1.234	20	115.1063	1.234	20	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:3:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCN)(O)	C(CH3)2(CNO)(NHH)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCCN)(O)	C(CH3)2(CNO)(NHH)	N(C[6a]C[6a]2)(CCO)(H)	114.3315	0.520	2	114.3315	0.270	2	115.1063	1.234	20	115.1063	1.234	20	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:3:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCN)(O)	C(CH3)2(CNO)(NOO)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCCN)(O)	C(CH3)2(CNO)(NOO)	N(C[6a]C[6a]2)(CCO)(H)	113.3530	0.000	1	113.3530	0.000	1	115.1063	1.234	20	115.1063	1.234	20	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:3:	3:3:3:	N-3:C-4:O-1:	C-4:C-4:C-3:C-3:	C[6a]-3:B-3:C-3:	C(NC[6a]B)(CC3)(O)	C(CH3)2(CNO)2	N(C[6a]C[6a]2)(BCH)(CCO)	C(NC[6a]B)(CC3)(O)	C(CH3)2(CNO)2	N(C[6a]C[6a]2)(BCH)(CCO)	119.1430	0.040	2	119.1430	0.002	2	119.3193	0.094	3	120.1810	3.033	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:3:	3:3:3:	N-3:C-4:O-1:	C-4:C-4:C-3:C-3:	C[6a]-3:B-3:C-3:	C(NC[6a]B)(CC3)(O)	C(CH3)2(CNO)2	N(C[6a]C[6a]2)(BC[6]C)(CCO)	C(NC[6a]B)(CC3)(O)	C(CH3)2(CNO)2	N(C[6a]C[6a]2)(BC[6]C)(CCO)	119.6720	0.000	1	119.6720	0.000	1	119.3193	0.094	3	120.1810	3.033	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:3:	3:3:3:	N-3:C-4:O-1:	C-4:C-4:C-3:C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CC3)(O)	C(CH3)2(CNO)(COS)	N(C[6a]C[6a]2)(CCO)(CNS)	C(NC[6a]C)(CC3)(O)	C(CH3)2(CNO)(COS)	N(C[6a]C[6a]2)(CCO)(CNS)	122.7660	0.000	1	122.7660	0.000	1	122.7660	0.000	1	120.1810	3.033	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:3:	3:4:3:	N-3:C-4:O-1:	C-4:C-4:C-3:C-3:	C[5a]-3:C-4:C-3:	C(NC[5a]C)(CC3)(O)	C(CCHH)2(CCN)(CNO)	N(C[5a]N[5a]2)(CCHH)(CCO)	C(NC[5a]C)(CC3)(O)	C(CCHH)2(CCN)(CNO)	N(C[5a]N[5a]2)(CCHH)(CCO)	117.5460	0.000	1	117.5460	0.000	1	117.5460	0.000	1	119.2000	0.572	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:3:	3:4:3:	N-3:C-4:O-1:	C-4:C-4:C-3:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CC3)(O)	C(CH3)2(CNO)2	N(C[6a]C[6a]2)(CBHH)(CCO)	C(NC[6a]C)(CC3)(O)	C(CH3)2(CNO)2	N(C[6a]C[6a]2)(CBHH)(CCO)	119.5307	0.237	3	119.5307	0.056	3	119.4496	0.054	5	119.2000	0.572	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:3:	3:4:3:	N-3:C-4:O-1:	C-4:C-4:C-3:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CC3)(O)	C(CH3)2(CNO)2	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CC3)(O)	C(CH3)2(CNO)2	N(C[6a]C[6a]2)(CH3)(CCO)	119.3280	0.238	2	119.3280	0.056	2	119.4496	0.054	5	119.2000	0.572	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:3:	3:4:3:	N-3:C-4:O-1:	C-4:C-4:C-3:N-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCCN)(O)	C(CH3)2(CNO)(NCH)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCCN)(O)	C(CH3)2(CNO)(NCH)	N(C[6a]C[6a]2)(CH3)(CCO)	119.6060	0.000	1	119.6060	0.000	1	119.6060	0.000	1	119.2000	0.572	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:3:	4:3:1:	N-3:C-4:O-1:	C-4:C-4:C-3:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CC3)(O)	C(CH3)2(CNO)(COO)	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CC3)(O)	C(CH3)2(CNO)(COO)	N(C[5]C[5]2H)(CCO)(H)	116.2955	0.415	2	116.2955	0.172	2	116.7299	0.818	16	116.3106	1.181	36	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:3:	4:3:1:	N-3:C-4:O-1:	C-4:C-4:C-3:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CC3)(O)	C(CH3)2(CNO)2	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CC3)(O)	C(CH3)2(CNO)2	N(C[5]C[5]2H)(CCO)(H)	116.7920	0.948	14	116.7920	0.898	14	116.7299	0.818	16	116.3106	1.181	36	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:3:	4:3:1:	N-3:C-4:O-1:	C-4:C-4:C-3:N-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CCCN)(O)	C(CH3)2(CNO)(NCH)	N(C[5]C[5]2H)(CCO)(H)	C(NC[5]H)(CCCN)(O)	C(CH3)2(CNO)(NCH)	N(C[5]C[5]2H)(CCO)(H)	115.9442	1.183	18	115.9442	1.399	18	115.9442	1.399	18	116.3106	1.181	36	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:3:3:	4:3:1:	N-3:C-4:O-1:	C-4:C-4:C-3:N-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCCN)(O)	C(CH3)2(CNO)(NCH)	N(C[6]C[6]2C)(CCO)(H)	C(NC[6]H)(CCCN)(O)	C(CH3)2(CNO)(NCH)	N(C[6]C[6]2C)(CCO)(H)	116.2530	0.209	2	116.2530	0.044	2	116.2530	0.044	2	116.3106	1.181	36	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:4:3:	3:3:1:	N-3:C-4:H-1:	C-4:C-4:C-4:C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(CC3)(H)	C(CH3)3(CHN)	N(C[6]C[6]N[6])(CCH)(H)	C(NC[6]H)(CC3)(H)	C(CH3)3(CHN)	N(C[6]C[6]N[6])(CCH)(H)	113.6830	0.000	1	113.6830	0.000	1	113.6830	0.000	1	116.0016	1.177	115	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:4:3:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-4:C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CC3)(O)	C(CH3)3(CNO)	N(C[5a]C[5a]N[5a])(CCO)(H)	C(NC[5a]H)(CC3)(O)	C(CH3)3(CNO)	N(C[5a]C[5a]N[5a])(CCO)(H)	117.0327	1.232	3	117.0327	1.519	3	116.7005	1.454	4	116.0016	1.177	115	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:4:3:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-4:C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CC3)(O)	C(CH3)3(CNO)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CC3)(O)	C(CH3)3(CNO)	N(C[5a]N[5a]S[5a])(CCO)(H)	115.7040	0.000	1	115.7040	0.000	1	116.7005	1.454	4	116.0016	1.177	115	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:4:3:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-4:C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(CC3)(O)	C(CH3)3(CNO)	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CC3)(O)	C(CH3)3(CNO)	N(C[6]C[6]N[6])(CCO)(H)	115.7913	0.816	12	115.7913	0.665	12	115.7036	0.710	13	116.0016	1.177	115	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:4:3:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-4:C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(CC3)(O)	C(CH3)3(CNO)	N(C[6]N[6]2)(CCO)(H)	C(NC[6]H)(CC3)(O)	C(CH3)3(CNO)	N(C[6]N[6]2)(CCO)(H)	114.6510	0.000	1	114.6510	0.000	1	115.7036	0.710	13	116.0016	1.177	115	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:4:3:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CC3)(O)	C(CCHH)2(CHHS)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CC3)(O)	C(CCHH)2(CHHS)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	120.1430	0.000	1	120.1430	0.000	1	116.0453	1.193	94	116.0016	1.177	115	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:4:3:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CC3)(O)	C(CC[6a]HH)(CHHS)(CH3)(CNO)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CC3)(O)	C(CC[6a]HH)(CHHS)(CH3)(CNO)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	115.6530	0.000	1	115.6530	0.000	1	116.0453	1.193	94	116.0016	1.177	115	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:4:3:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CC3)(O)	C(CClHH)(CH3)2(CNO)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CC3)(O)	C(CClHH)(CH3)2(CNO)	N(C[6a]C[6a]2)(CCO)(H)	116.8040	0.000	1	116.8040	0.000	1	116.0453	1.193	94	116.0016	1.177	115	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:4:3:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CC3)(O)	C(CH3)3(CNO)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CC3)(O)	C(CH3)3(CNO)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	116.9522	0.681	4	116.9522	0.464	4	116.0453	1.193	94	116.0016	1.177	115	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:4:3:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CC3)(O)	C(CH3)3(CNO)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CC3)(O)	C(CH3)3(CNO)	N(C[6a]C[6a]2)(CCO)(H)	116.1539	1.097	59	116.1539	1.203	59	116.0453	1.193	94	116.0016	1.177	115	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:4:3:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CC3)(O)	C(CH3)3(CNO)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CC3)(O)	C(CH3)3(CNO)	N(C[6a]C[6a]N[6a])(CCO)(H)	115.6068	0.679	20	115.6068	0.461	20	116.0453	1.193	94	116.0016	1.177	115	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:4:3:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CC3)(O)	C(CH3)3(CNO)	N(C[6a]N[6a]2)(CCO)(H)	C(NC[6a]H)(CC3)(O)	C(CH3)3(CNO)	N(C[6a]N[6a]2)(CCO)(H)	115.2080	0.463	6	115.2080	0.214	6	116.0453	1.193	94	116.0016	1.177	115	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:4:3:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CC3)(O)	C(CHHN)(CH3)2(CNO)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CC3)(O)	C(CHHN)(CH3)2(CNO)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	115.9910	0.000	1	115.9910	0.000	1	116.0453	1.193	94	116.0016	1.177	115	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:4:3:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CC3)(O)	C(CHHS)(CH3)2(CNO)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CC3)(O)	C(CHHS)(CH3)2(CNO)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	115.3990	0.000	1	115.3990	0.000	1	116.0453	1.193	94	116.0016	1.177	115	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:4:3:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-4:C-3:	N[5a]-3:C-3:H-1:	C(NN[5a]H)(CC3)(O)	C(CH3)3(CNO)	N(N[5a]C[5,5a]C[5a])(CCO)(H)	C(NN[5a]H)(CC3)(O)	C(CH3)3(CNO)	N(N[5a]C[5,5a]C[5a])(CCO)(H)	114.8890	0.000	1	114.8890	0.000	1	114.8890	0.000	1	116.0016	1.177	115	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:4:3:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-4:C-3:	N[6]-3:C-3:H-1:	C(NN[6]H)(CC3)(O)	C(CH3)3(CNO)	N(N[6]C[6,6]C[6])(CCO)(H)	C(NN[6]H)(CC3)(O)	C(CH3)3(CNO)	N(N[6]C[6,6]C[6])(CCO)(H)	116.5980	0.000	1	116.5980	0.000	1	116.1985	0.319	2	116.0016	1.177	115	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:4:3:	3:3:1:	N-3:C-4:O-1:	C-4:C-4:C-4:C-3:	N[6]-3:C-3:H-1:	C(NN[6]H)(CC3)(O)	C(CH3)3(CNO)	N(N[6]C[6]2)(CCO)(H)	C(NN[6]H)(CC3)(O)	C(CH3)3(CNO)	N(N[6]C[6]2)(CCO)(H)	115.7990	0.000	1	115.7990	0.000	1	116.1985	0.319	2	116.0016	1.177	115	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:4:3:	3:3:2:	N-3:C-4:O-1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-3:N-2:	C(NC[6a]N)(CC3)(O)	C(CH3)3(CNO)	N(C[6a]C[6a]2)(CCO)(NC)	C(NC[6a]N)(CC3)(O)	C(CH3)3(CNO)	N(C[6a]C[6a]2)(CCO)(NC)	120.1730	0.389	3	120.1730	0.151	3	120.1730	0.151	3	120.1730	0.151	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:4:3:	3:3:3:	N-3:C-4:O-1:	C-4:C-4:C-4:C-3:	C[5a]-3:C-3:C-3:	C(NC[5a]C)(CC3)(O)	C(CH3)3(CNO)	N(C[5a]C[5a,6a]C[5a])(CC[5a]O)(CCO)	C(NC[5a]C)(CC3)(O)	C(CH3)3(CNO)	N(C[5a]C[5a,6a]C[5a])(CC[5a]O)(CCO)	120.7150	0.000	1	120.7150	0.000	1	120.4205	0.173	2	120.6923	0.308	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:4:3:	3:3:3:	N-3:C-4:O-1:	C-4:C-4:C-4:C-3:	C[5a]-3:C-3:C-3:	C(NC[5a]C)(CC3)(O)	C(CH3)3(CNO)	N(C[5a]C[5a,6a]C[5a])(CC[6a]O)(CCO)	C(NC[5a]C)(CC3)(O)	C(CH3)3(CNO)	N(C[5a]C[5a,6a]C[5a])(CC[6a]O)(CCO)	120.1260	0.000	1	120.1260	0.000	1	120.4205	0.173	2	120.6923	0.308	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:4:3:	3:3:3:	N-3:C-4:O-1:	C-4:C-4:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(CC3)(O)	C(CH3)3(CNO)	N(C[6a]C[6a]2)2(CCO)	C(NC[6a]2)(CC3)(O)	C(CH3)3(CNO)	N(C[6a]C[6a]2)2(CCO)	121.2360	0.000	1	121.2360	0.000	1	121.2360	0.000	1	120.6923	0.308	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:4:3:	3:4:3:	N-3:C-4:O-1:	C-4:C-4:C-4:C-3:	C[5a]-3:C-4:C-3:	C(NC[5a]C)(CC3)(O)	C(CH3)3(CNO)	N(C[5a]C[5a,6a]C[5a])(CC[6a]HH)(CCO)	C(NC[5a]C)(CC3)(O)	C(CH3)3(CNO)	N(C[5a]C[5a,6a]C[5a])(CC[6a]HH)(CCO)	121.4690	0.000	1	121.4690	0.000	1	121.4690	0.000	1	121.8295	0.260	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:4:3:	3:4:3:	N-3:C-4:O-1:	C-4:C-4:C-4:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CC3)(O)	C(CH3)3(CNO)	N(C[6a]C[6a]2)(CFeCC)(CCO)	C(NC[6a]C)(CC3)(O)	C(CH3)3(CNO)	N(C[6a]C[6a]2)(CFeCC)(CCO)	122.1900	0.000	1	122.1900	0.000	1	122.1900	0.000	1	121.8295	0.260	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:4:3:	4:3:1:	N-3:C-4:O-1:	C-4:C-4:C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CC3)(O)	C(CH3)3(CNO)	N(C[5]C[5,5]C[5]H)(CCO)(H)	C(NC[5]H)(CC3)(O)	C(CH3)3(CNO)	N(C[5]C[5,5]C[5]H)(CCO)(H)	116.9526	0.561	5	116.9526	0.315	5	116.9526	0.315	5	117.0379	0.232	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:1:	4:4:4:3:	4:3:1:	N-3:C-4:O-1:	C-4:C-4:C-4:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CC3)(O)	C(CH3)3(CNO)	N(C[6]C[5,6]C[6]H)(CCO)(H)	C(NC[6]H)(CC3)(O)	C(CH3)3(CNO)	N(C[6]C[5,6]C[6]H)(CCO)(H)	117.2510	0.047	2	117.2510	0.002	2	117.2510	0.002	2	117.0379	0.232	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	3:1:1:1:	3:3:1:	N-3:C-4:N-2:	C-3:F-1:F-1:F-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CF3)(NC)	C(CNN)(F)3	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(CF3)(NC)	C(CNN)(F)3	N(C[6a]C[6a]2)(CCN)(H)	114.3360	0.000	1	114.3360	0.000	1	114.3360	0.000	1	117.9406	4.749	17	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	3:1:1:1:	3:3:1:	N-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(NO)	C(CNN)(H)3	N(C[6a]C[6a]N[6a])(CCN)(H)	C(NC[6a]H)(CH3)(NO)	C(CNN)(H)3	N(C[6a]C[6a]N[6a])(CCN)(H)	122.5155	0.179	2	122.5155	0.032	2	122.5155	0.032	2	117.9406	4.749	17	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	3:1:1:1:	3:3:1:	N-3:C-4:O-2:	C-3:H-1:H-1:H-1:	C[6]-3:C-3:H-1:	C(NC[6]H)(CH3)(OCu)	C(CNO)(H)3	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CH3)(OCu)	C(CNO)(H)3	N(C[6]C[6]N[6])(CCO)(H)	116.4030	0.918	3	116.4030	0.842	3	116.4030	0.842	3	117.9406	4.749	17	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	3:1:1:1:	3:3:1:	N-3:C-4:O-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(OH)	C(CNO)(H)3	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CH3)(OH)	C(CNO)(H)3	N(C[6a]C[6a]2)(CCO)(H)	118.6765	0.745	4	118.6765	0.556	4	117.8558	1.225	11	117.9406	4.749	17	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	3:1:1:1:	3:3:1:	N-3:C-4:O-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(OMg)	C(CNO)(H)3	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CH3)(OMg)	C(CNO)(H)3	N(C[6a]C[6a]2)(CCO)(H)	115.3800	0.000	1	115.3800	0.000	1	117.8558	1.225	11	117.9406	4.749	17	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	3:1:1:1:	3:3:1:	N-3:C-4:O-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(OPd)	C(CNO)(H)3	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CH3)(OPd)	C(CNO)(H)3	N(C[6a]C[6a]2)(CCO)(H)	117.8402	0.554	5	117.8402	0.307	5	117.8558	1.225	11	117.9406	4.749	17	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	3:1:1:1:	3:3:1:	N-3:C-4:O-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(OZn)	C(CNO)(H)3	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CH3)(OZn)	C(CNO)(H)3	N(C[6a]C[6a]2)(CCO)(H)	117.1270	0.000	1	117.1270	0.000	1	117.8558	1.225	11	117.9406	4.749	17	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	3:1:1:1:	3:3:3:	N-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CH3)(NRh)	C(CNN)(H)3	N(C[6a]C[6a]2)(CCN)2	C(NC[6a]C)(CH3)(NRh)	C(CNN)(H)3	N(C[6a]C[6a]2)(CCN)2	116.6685	0.196	2	116.6685	0.038	2	116.6685	0.038	2	116.6685	0.038	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	3:1:1:1:	3:4:3:	N-3:C-4:O-2:	C-3:H-1:H-1:H-1:	C[6a]-3:P-4:C-3:	C(NC[6a]P)(CH3)(OPd)	C(CNO)(H)3	N(C[6a]C[6a]2)(PPdCC)(CCO)	C(NC[6a]P)(CH3)(OPd)	C(CNO)(H)3	N(C[6a]C[6a]2)(PPdCC)(CCO)	119.0210	0.000	1	119.0210	0.000	1	119.0210	0.000	1	119.0210	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	3:1:1:1:	4:3:1:	N-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CH3)(NS)	C(CNN)(H)3	N(C[6]C[6]2H)(CCN)(H)	C(NC[6]H)(CH3)(NS)	C(CNN)(H)3	N(C[6]C[6]2H)(CCN)(H)	115.8355	0.575	2	115.8355	0.330	2	115.8355	0.330	2	118.0132	6.467	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	3:1:1:1:	4:3:1:	N-3:C-4:O-2:	C-3:H-1:H-1:H-1:	C[3x6]-4:C-3:H-1:	C(NC[3x6]H)(CH3)(OH)	C(CNO)(H)3	N(C[3x6]C[6,6]3)(CCO)(H)	C(NC[3x6]H)(CH3)(OH)	C(CNO)(H)3	N(C[3x6]C[6,6]3)(CCO)(H)	120.4160	0.000	1	120.4160	0.000	1	120.4160	0.000	1	118.0132	6.467	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	3:1:1:1:	4:3:1:	N-3:C-4:O-2:	C-3:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CH3)(OH)	C(CNO)(H)3	N(C[6]C[6,6a]2H)(CCO)(H)	C(NC[6]H)(CH3)(OH)	C(CNO)(H)3	N(C[6]C[6,6a]2H)(CCO)(H)	119.9660	0.000	1	119.9660	0.000	1	119.9660	0.000	1	118.0132	6.467	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	3:1:1:1:	4:4:3:	N-3:C-4:N-2:	C-3:H-1:H-1:H-1:	C[6]-4:S-4:C-3:	C(NC[6]S)(CH3)(NC)	C(CNN)(H)3	N(C[6]C[6]2H)(SC[6a]OO)(CCN)	C(NC[6]S)(CH3)(NC)	C(CNN)(H)3	N(C[6]C[6]2H)(SC[6a]OO)(CCN)	116.2340	0.000	1	116.2340	0.000	1	116.2340	0.000	1	117.6275	3.884	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	3:1:1:1:	4:4:3:	N-3:C-4:N-2:	C-3:H-1:H-1:H-1:	Si-4:C-4:C-3:	C(NSiC)(CH3)(NC)	C(CNN)(H)3	N(SiC[6a]HN)(CCCH)(CCN)	C(NSiC)(CH3)(NC)	C(CNN)(H)3	N(SiC[6a]HN)(CCCH)(CCN)	119.0210	0.000	1	119.0210	0.000	1	119.0210	0.000	1	117.6275	3.884	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	3:1:1:1:	6:3:1:	N-3:C-4:O-2:	C-3:H-1:H-1:H-1:	B[5x3,4,9x5,6,6]-6:C-3:H-1:	C(NB[5x3,4,9x5,6,6]H)(CH3)(ON)	C(CNO)(H)3	N(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(CCO)(H)	C(NB[5x3,4,9x5,6,6]H)(CH3)(ON)	C(CNO)(H)3	N(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(CCO)(H)	125.5010	0.000	1	125.5010	0.000	1	125.5010	0.000	1	121.7470	28.185	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	3:1:1:1:	6:3:1:	N-3:C-4:O-2:	C-3:H-1:H-1:H-1:	B[5x3,5x5,20x6]-6:C-3:H-1:	C(NB[5x3,5x5,20x6]H)(CH3)(OPd)	C(CNO)(H)3	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCO)(H)	C(NB[5x3,5x5,20x6]H)(CH3)(OPd)	C(CNO)(H)3	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCO)(H)	117.9930	0.000	1	117.9930	0.000	1	117.9930	0.000	1	121.7470	28.185	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	3:3:1:1:	3:3:1:	N-3:C-4:O-2:	C-3:N-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHN)(OIn)	C(CNO)(NCC)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHN)(OIn)	C(CNO)(NCC)(H)2	N(C[6a]C[6a]2)(CCO)(H)	116.7070	0.000	1	116.7070	0.000	1	116.7070	0.000	1	116.7070	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	4:3:1:1:	3:3:1:	N-3:C-4:N-2:	C-4:C-3:F-1:F-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCFF)(NC)	C(CCFF)(CNN)(F)2	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(CCFF)(NC)	C(CCFF)(CNN)(F)2	N(C[6a]C[6a]2)(CCN)(H)	113.3188	0.971	4	113.3188	0.943	4	113.3188	0.943	4	115.0879	3.107	15	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	4:3:1:1:	3:3:1:	N-3:C-4:O-2:	C-4:C-3:H-1:H-1:	C[6]-3:C-3:H-1:	C(NC[6]H)(CCHH)(OLi)	C(CCHH)(CNO)(H)2	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CCHH)(OLi)	C(CCHH)(CNO)(H)2	N(C[6]C[6]N[6])(CCO)(H)	114.9643	0.282	3	114.9643	0.079	3	114.9643	0.079	3	115.0879	3.107	15	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	4:3:1:1:	3:3:1:	N-3:C-4:O-2:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(OFe)	C(CHHN)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHH)(OFe)	C(CHHN)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	114.4810	0.000	1	114.4810	0.000	1	114.4810	0.000	1	115.0879	3.107	15	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	4:3:1:1:	3:3:1:	N-3:C-4:O-2:	N-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHN)(OCo)	C(NCoCC)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHN)(OCo)	C(NCoCC)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	113.3740	0.000	1	113.3740	0.000	1	116.2384	3.053	7	115.0879	3.107	15	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	4:3:1:1:	3:3:1:	N-3:C-4:O-2:	N-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHN)(OFe)	C(NFeCH)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHN)(OFe)	C(NFeCH)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	117.4680	0.765	4	117.4680	0.584	4	116.2384	3.053	7	115.0879	3.107	15	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	4:3:1:1:	3:3:1:	N-3:C-4:O-2:	N-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHN)(ONi)	C(NNiCC)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHN)(ONi)	C(NNiCC)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	114.8940	0.000	1	114.8940	0.000	1	116.2384	3.053	7	115.0879	3.107	15	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	4:3:1:1:	3:3:1:	N-3:C-4:O-2:	N-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHN)(OZn)	C(NZnCC)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHN)(OZn)	C(NZnCC)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	115.5290	0.000	1	115.5290	0.000	1	116.2384	3.053	7	115.0879	3.107	15	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	4:3:1:1:	3:3:3:	N-3:C-4:O-2:	P-4:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(CHHP)(OMo)	C(PC[6a]2Mo)(CNO)(H)2	N(C[6a]C[6a]2)2(CCO)	C(NC[6a]2)(CHHP)(OMo)	C(PC[6a]2Mo)(CNO)(H)2	N(C[6a]C[6a]2)2(CCO)	120.1080	0.402	2	120.1080	0.161	2	120.1080	0.161	2	120.1080	0.161	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	4:3:1:1:	4:3:1:	N-3:C-4:O-2:	C-4:C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCHH)(OH)	C(CCHH)(CNO)(H)2	N(C[6]C[6,6a]2H)(CCO)(H)	C(NC[6]H)(CCHH)(OH)	C(CCHH)(CNO)(H)2	N(C[6]C[6,6a]2H)(CCO)(H)	120.9870	0.583	2	120.9870	0.339	2	120.9870	0.339	2	120.9870	0.339	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	4:3:1:1:	6:3:1:	N-3:C-4:O-2:	C-4:C-3:H-1:H-1:	B[3x3,3x5,12x6]-6:C-3:H-1:	C(NB[3x3,3x5,12x6]H)(CCHH)(OC)	C(CH3)(CNO)(H)2	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(CCO)(H)	C(NB[3x3,3x5,12x6]H)(CCHH)(OC)	C(CH3)(CNO)(H)2	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(CCO)(H)	121.3780	0.000	1	121.3780	0.000	1	122.0473	0.325	4	123.3534	4.753	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	4:3:1:1:	6:3:1:	N-3:C-4:O-2:	C-4:C-3:H-1:H-1:	B[3x3,3x5,12x6]-6:C-3:H-1:	C(NB[3x3,3x5,12x6]H)(CCHH)(OC)	C(CH3)(CNO)(H)2	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2H)(CCO)(H)	C(NB[3x3,3x5,12x6]H)(CCHH)(OC)	C(CH3)(CNO)(H)2	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2H)(CCO)(H)	122.2703	0.435	3	122.2703	0.189	3	122.0473	0.325	4	123.3534	4.753	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	4:3:1:1:	6:3:1:	N-3:C-4:O-2:	C-4:C-3:H-1:H-1:	B[5x3,4,9x5,6,6]-6:C-3:H-1:	C(NB[5x3,4,9x5,6,6]H)(CCHH)(ON)	C(CCHH)(CNO)(H)2	N(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(CCO)(H)	C(NB[5x3,4,9x5,6,6]H)(CCHH)(ON)	C(CCHH)(CNO)(H)2	N(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(CCO)(H)	125.4190	0.276	2	125.4190	0.076	2	125.4970	0.210	4	123.3534	4.753	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	4:3:1:1:	6:3:1:	N-3:C-4:O-2:	C-4:C-3:H-1:H-1:	B[5x3,4,9x5,6,6]-6:C-3:H-1:	C(NB[5x3,4,9x5,6,6]H)(CCHH)(ON)	C(CH3)(CNO)(H)2	N(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(CCO)(H)	C(NB[5x3,4,9x5,6,6]H)(CCHH)(ON)	C(CH3)(CNO)(H)2	N(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(CCO)(H)	125.5750	0.727	2	125.5750	0.528	2	125.4970	0.210	4	123.3534	4.753	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	4:3:1:1:	6:3:1:	N-3:C-4:S-2:	C-4:C-3:H-1:H-1:	B[3x3,3x5,12x6]-6:C-3:H-1:	C(NB[3x3,3x5,12x6]H)(CCHH)(SC)	C(CH3)(CNS)(H)2	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2H)(CCS)(H)	C(NB[3x3,3x5,12x6]H)(CCHH)(SC)	C(CH3)(CNS)(H)2	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2H)(CCS)(H)	120.0040	0.000	1	120.0040	0.000	1	120.0040	0.000	1	123.3534	4.753	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	4:4:3:1:	3:3:1:	N-3:C-4:O-2:	N-4:C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHN)(OCo)	C(NCoCC)(CH3)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCHN)(OCo)	C(NCoCC)(CH3)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	116.4095	1.551	2	116.4095	2.405	2	116.4095	2.405	2	116.4095	2.405	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	4:4:3:1:	3:4:3:	N-3:C-4:O-2:	C-4:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCCH)(OPd)	C(CH3)2(CNO)(H)	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CCCH)(OPd)	C(CH3)2(CNO)(H)	N(C[6a]C[6a]2)(CCCH)(CCO)	121.4710	0.448	2	121.4710	0.201	2	121.4710	0.201	2	121.4710	0.201	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	4:4:3:1:	6:3:1:	N-3:C-4:O-2:	C-4:C-4:C-3:H-1:	B[5x3,4,9x5,6,6]-6:C-3:H-1:	C(NB[5x3,4,9x5,6,6]H)(CCCH)(ON)	C(CH3)2(CNO)(H)	N(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(CCO)(H)	C(NB[5x3,4,9x5,6,6]H)(CCCH)(ON)	C(CH3)2(CNO)(H)	N(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(CCO)(H)	125.0160	0.000	1	125.0160	0.000	1	125.0160	0.000	1	125.0160	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	4:4:4:3:	3:3:1:	N-3:C-4:O-2:	C-4:C-4:C-4:C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(CC3)(OCo)	C(CH3)3(CNO)	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CC3)(OCo)	C(CH3)3(CNO)	N(C[6]C[6]N[6])(CCO)(H)	117.4943	1.117	3	117.4943	1.247	3	116.9340	1.390	9	117.8732	3.403	13	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	4:4:4:3:	3:3:1:	N-3:C-4:O-2:	C-4:C-4:C-4:C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(CC3)(OCu)	C(CH3)3(CNO)	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CC3)(OCu)	C(CH3)3(CNO)	N(C[6]C[6]N[6])(CCO)(H)	115.0750	0.000	1	115.0750	0.000	1	116.9340	1.390	9	117.8732	3.403	13	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	4:4:4:3:	3:3:1:	N-3:C-4:O-2:	C-4:C-4:C-4:C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(CC3)(OMn)	C(CH3)3(CNO)	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CC3)(OMn)	C(CH3)3(CNO)	N(C[6]C[6]N[6])(CCO)(H)	117.3640	0.000	1	117.3640	0.000	1	116.9340	1.390	9	117.8732	3.403	13	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	4:4:4:3:	3:3:1:	N-3:C-4:O-2:	C-4:C-4:C-4:C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(CC3)(ONi)	C(CH3)3(CNO)	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CC3)(ONi)	C(CH3)3(CNO)	N(C[6]C[6]N[6])(CCO)(H)	115.5890	0.000	1	115.5890	0.000	1	116.9340	1.390	9	117.8732	3.403	13	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	4:4:4:3:	3:3:1:	N-3:C-4:O-2:	C-4:C-4:C-4:C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(CC3)(OZn)	C(CH3)3(CNO)	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CC3)(OZn)	C(CH3)3(CNO)	N(C[6]C[6]N[6])(CCO)(H)	117.2983	0.957	3	117.2983	0.916	3	116.9340	1.390	9	117.8732	3.403	13	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:2:	4:4:4:3:	3:3:1:	N-3:C-4:O-2:	C-4:C-4:C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CC3)(OPd)	C(CH3)3(CNO)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CC3)(OPd)	C(CH3)3(CNO)	N(C[6a]C[6a]2)(CCO)(H)	119.9862	1.143	4	119.9862	1.306	4	119.9862	1.306	4	117.8732	3.403	13	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	2:3:1:1:	3:1:1:	C-3:C-4:N-3:	O-2:C-3:H-1:H-1:	C-3:O-1:O-1:	C(CC[6a]H)(CHHO)(NOO)	C(ON[6])(CCN)(H)2	N(CCC)(O)2	C(CC[6a]H)(CHHO)(NOO)	C(ON[6])(CCN)(H)2	N(CCC)(O)2	115.2305	0.306	2	115.2305	0.094	2	115.2305	0.094	2	115.2305	0.094	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:1:1:	C-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:H-1:H-1:	C(CC[4a]H)(CH3)(NHH)	C(CCN)(H)3	N(CCC)(H)2	C(CC[4a]H)(CH3)(NHH)	C(CCN)(H)3	N(CCC)(H)2	118.3940	0.000	1	118.3940	0.000	1	118.3940	0.000	1	116.1285	3.920	42	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:1:1:	C-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:O-1:O-1:	C(CC[5a]H)(CH3)(NOO)	C(CCN)(H)3	N(CCC)(O)2	C(CC[5a]H)(CH3)(NOO)	C(CCN)(H)3	N(CCC)(O)2	114.5255	0.417	4	114.5255	0.174	4	113.9544	0.462	14	116.1285	3.920	42	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:1:1:	C-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:O-1:O-1:	C(CC[6a]H)(CH3)(NOO)	C(CCN)(H)3	N(CCC)(O)2	C(CC[6a]H)(CH3)(NOO)	C(CCN)(H)3	N(CCC)(O)2	113.7259	0.638	10	113.7259	0.407	10	113.9544	0.462	14	116.1285	3.920	42	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:1:1:	C[5]-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:H-1:H-1:	C(C[5]C[5,6a]C[5])(CH3)(NHH)	C(CC[5]N)(H)3	N(CC[5]C)(H)2	C(C[5]C[5,6a]C[5])(CH3)(NHH)	C(CC[5]N)(H)3	N(CC[5]C)(H)2	117.1380	0.433	12	117.1380	0.187	12	117.0145	0.370	13	116.1285	3.920	42	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:1:1:	C[5]-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:H-1:H-1:	C(C[5]C[5]2)(CH3)(NHH)	C(CC[5]N)(H)3	N(CC[5]C)(H)2	C(C[5]C[5]2)(CH3)(NHH)	C(CC[5]N)(H)3	N(CC[5]C)(H)2	115.5330	0.000	1	115.5330	0.000	1	117.0145	0.370	13	116.1285	3.920	42	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:1:1:	C[5a]-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:H-1:H-1:	C(C[5a]C[5a,5a]C[5a,6a])(CH3)(NHH)	C(CC[5a]N)(H)3	N(CC[5a]C)(H)2	C(C[5a]C[5a,5a]C[5a,6a])(CH3)(NHH)	C(CC[5a]N)(H)3	N(CC[5a]C)(H)2	115.2375	0.566	2	115.2375	0.321	2	115.2375	0.321	2	116.1285	3.920	42	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:1:1:	C[6]-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:H-1:H-1:	C(C[6]C[6]P[6])(CH3)(NHH)	C(CC[6]N)(H)3	N(CC[6]C)(H)2	C(C[6]C[6]P[6])(CH3)(NHH)	C(CC[6]N)(H)3	N(CC[6]C)(H)2	116.1660	0.000	1	116.1660	0.000	1	116.1660	0.000	1	116.1285	3.920	42	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:1:1:	C[6a]-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:H-1:H-1:	C(C[6a]C[5a,6a]C[6a])(CH3)(NHH)	C(CC[6a]N)(H)3	N(CC[6a]C)(H)2	C(C[6a]C[5a,6a]C[6a])(CH3)(NHH)	C(CC[6a]N)(H)3	N(CC[6a]C)(H)2	116.9570	0.000	1	116.9570	0.000	1	116.0743	0.648	3	116.1285	3.920	42	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:1:1:	C[6a]-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CH3)(NHH)	C(CC[6a]N)(H)3	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CH3)(NHH)	C(CC[6a]N)(H)3	N(CC[6a]C)(H)2	115.6330	0.358	2	115.6330	0.128	2	116.0743	0.648	3	116.1285	3.920	42	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:1:1:	N-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:H-1:H-1:	C(NC[6a]H)(CH3)(NHH)	C(CNN)(H)3	N(CCN)(H)2	C(NC[6a]H)(CH3)(NHH)	C(CNN)(H)3	N(CCN)(H)2	120.2210	0.530	2	120.2210	0.281	2	118.5533	3.517	6	116.1285	3.920	42	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:1:1:	N-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:H-1:H-1:	C(NPtO)(CH3)(NHH)	C(CNN)(H)3	N(CCN)(H)2	C(NPtO)(CH3)(NHH)	C(CNN)(H)3	N(CCN)(H)2	118.7940	0.000	1	118.7940	0.000	1	118.5533	3.517	6	116.1285	3.920	42	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:1:1:	N-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:H-1:H-1:	C(NReH)(CH3)(NHH)	C(CNN)(H)3	N(CCN)(H)2	C(NReH)(CH3)(NHH)	C(CNN)(H)3	N(CCN)(H)2	115.1370	0.000	1	115.1370	0.000	1	118.5533	3.517	6	116.1285	3.920	42	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:1:1:	N-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:H-1:H-1:	C(NZnO)(CH3)(NHH)	C(CNN)(H)3	N(CCN)(H)2	C(NZnO)(CH3)(NHH)	C(CNN)(H)3	N(CCN)(H)2	118.4735	0.019	2	118.4735	0.000	2	118.5533	3.517	6	116.1285	3.920	42	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:1:1:	N[5]-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:H-1:H-1:	C(N[5]C[5]2)(CH3)(NHH)	C(CN[5]N)(H)3	N(CN[5]C)(H)2	C(N[5]C[5]2)(CH3)(NHH)	C(CN[5]N)(H)3	N(CN[5]C)(H)2	119.6570	0.000	1	119.6570	0.000	1	119.6570	0.000	1	116.1285	3.920	42	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:1:1:	N[6]-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:H-1:H-1:	C(N[6]C[6]2)(CH3)(NHH)	C(CN[6]N)(H)3	N(CN[6]C)(H)2	C(N[6]C[6]2)(CH3)(NHH)	C(CN[6]N)(H)3	N(CN[6]C)(H)2	116.6100	0.000	1	116.6100	0.000	1	116.6100	0.000	1	116.1285	3.920	42	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:2:1:	C[6]-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:N-2:H-1:	C(C[6]C[6]2)(CH3)(NHN)	C(CC[6]N)(H)3	N(CC[6]C)(NC)(H)	C(C[6]C[6]2)(CH3)(NHN)	C(CC[6]N)(H)3	N(CC[6]C)(NC)(H)	117.9510	0.000	1	117.9510	0.000	1	117.9510	0.000	1	119.7160	1.103	5	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:2:1:	C[6a]-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:N-2:H-1:	C(C[6a]C[6a]N[6a])(CH3)(NHN)	C(CC[6a]N)(H)3	N(CC[6a]C)(NC)(H)	C(C[6a]C[6a]N[6a])(CH3)(NHN)	C(CC[6a]N)(H)3	N(CC[6a]C)(NC)(H)	120.1573	0.416	4	120.1573	0.173	4	120.1573	0.173	4	119.7160	1.103	5	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:3:1:	C-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:C-3:O-1:	C(CC[6a]H)(CH3)(NCO)	C(CCN)(H)3	N(CC[6a]H)(CCC)(O)	C(CC[6a]H)(CH3)(NCO)	C(CCN)(H)3	N(CC[6a]H)(CCC)(O)	113.0020	0.000	1	113.0020	0.000	1	113.0020	0.000	1	118.0203	6.051	128	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:3:1:	C[5]-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:N-3:H-1:	C(C[5]C[5,6a]C[5])(CH3)(NHN)	C(CC[5]N)(H)3	N(CC[5]C)(NCC)(H)	C(C[5]C[5,6a]C[5])(CH3)(NHN)	C(CC[5]N)(H)3	N(CC[5]C)(NCC)(H)	113.3680	0.339	3	113.3680	0.115	3	114.3470	3.911	4	118.0203	6.051	128	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:3:1:	C[5]-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:N-3:H-1:	C(C[5]C[5]2)(CH3)(NHN)	C(CC[5]N)(H)3	N(CC[5]C)(NCH)(H)	C(C[5]C[5]2)(CH3)(NHN)	C(CC[5]N)(H)3	N(CC[5]C)(NCH)(H)	117.2840	0.000	1	117.2840	0.000	1	114.3470	3.911	4	118.0203	6.051	128	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:3:1:	C[5]-3:C-4:N-3:	C-3:H-1:H-1:H-1:	N-3:C-3:H-1:	C(C[5]C[5]2)(CH3)(NHN)	C(CC[5]N)(H)3	N(NC[6a]H)(CC[5]C)(H)	C(C[5]C[5]2)(CH3)(NHN)	C(CC[5]N)(H)3	N(NC[6a]H)(CC[5]C)(H)	118.8230	0.000	1	118.8230	0.000	1	118.8230	0.000	1	118.0203	6.051	128	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:3:1:	C[5a]-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:N-3:H-1:	C(C[5a]C[5a]S[5a])(CH3)(NHN)	C(CC[5a]N)(H)3	N(CC[5a]C)(NCH)(H)	C(C[5a]C[5a]S[5a])(CH3)(NHN)	C(CC[5a]N)(H)3	N(CC[5a]C)(NCH)(H)	118.3760	0.000	1	118.3760	0.000	1	118.3760	0.000	1	118.0203	6.051	128	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:3:1:	C[6]-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:N-3:H-1:	C(C[6]C[6]2)(CH3)(NHN)	C(CC[6]N)(H)3	N(CC[6]C)(NCH)(H)	C(C[6]C[6]2)(CH3)(NHN)	C(CC[6]N)(H)3	N(CC[6]C)(NCH)(H)	119.1660	0.984	2	119.1660	0.969	2	118.6522	1.406	4	118.0203	6.051	128	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:3:1:	C[6]-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:N-3:H-1:	C(C[6]C[6]2)(CH3)(NHN)	C(CC[6]N)(H)3	N(CC[6]C)(NHH)(H)	C(C[6]C[6]2)(CH3)(NHN)	C(CC[6]N)(H)3	N(CC[6]C)(NHH)(H)	117.0910	0.000	1	117.0910	0.000	1	118.6522	1.406	4	118.0203	6.051	128	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:3:1:	C[6]-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:N-3:H-1:	C(C[6]C[6]2)(CH3)(NHN)	C(CC[6]N)(H)3	N(CC[6]C)(NHS)(H)	C(C[6]C[6]2)(CH3)(NHN)	C(CC[6]N)(H)3	N(CC[6]C)(NHS)(H)	119.1860	0.000	1	119.1860	0.000	1	118.6522	1.406	4	118.0203	6.051	128	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:3:1:	C[6a]-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)	C(CC[6a]N)(H)3	N(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CH3)(NCH)	C(CC[6a]N)(H)3	N(CC[6a]C)(CC[6a]O)(H)	108.5785	0.202	2	108.5785	0.041	2	108.5785	0.041	2	118.0203	6.051	128	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:3:1:	N-3:C-4:C-3:	C-3:F-1:F-1:F-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CF3)(CCH)	C(CCN)(F)3	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(NC[6a]H)(CF3)(CCH)	C(CCN)(F)3	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	120.1560	0.000	1	120.1560	0.000	1	118.8775	3.269	2	118.0203	6.051	128	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:3:1:	N-3:C-4:C-3:	C-3:F-1:F-1:F-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CF3)(CCH)	C(CCN)(F)3	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CF3)(CCH)	C(CCN)(F)3	N(C[6a]C[6a]2)(CCC)(H)	117.5990	0.000	1	117.5990	0.000	1	118.8775	3.269	2	118.0203	6.051	128	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:3:1:	N-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[5]-3:C-3:H-1:	C(NC[5]H)(CH3)(CCH)	C(CCN)(H)3	N(C[5]C[5]2)(CCC)(H)	C(NC[5]H)(CH3)(CCH)	C(CCN)(H)3	N(C[5]C[5]2)(CCC)(H)	118.0130	0.000	1	118.0130	0.000	1	118.0130	0.000	1	118.0203	6.051	128	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:3:1:	N-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CH3)(CCH)	C(CCN)(H)3	N(C[5a]C[5a]2)(CCC)(H)	C(NC[5a]H)(CH3)(CCH)	C(CCN)(H)3	N(C[5a]C[5a]2)(CCC)(H)	117.9560	0.746	3	117.9560	0.556	3	116.4537	9.398	4	118.0203	6.051	128	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:3:1:	N-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CH3)(CCH)	C(CCN)(H)3	N(C[5a]N[5a]2)(CCC)(H)	C(NC[5a]H)(CH3)(CCH)	C(CCN)(H)3	N(C[5a]N[5a]2)(CCC)(H)	111.9470	0.000	1	111.9470	0.000	1	116.4537	9.398	4	118.0203	6.051	128	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:3:1:	N-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(CCC)	C(CCN)(H)3	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CH3)(CCC)	C(CCN)(H)3	N(C[6a]C[6a]2)(CCC)(H)	118.5997	1.313	20	118.5997	1.724	20	118.6403	3.735	97	118.0203	6.051	128	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:3:1:	N-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(CCH)	C(CCN)(H)3	N(C[6a]C[5a,6a]C[6a])(CCC)(H)	C(NC[6a]H)(CH3)(CCH)	C(CCN)(H)3	N(C[6a]C[5a,6a]C[6a])(CCC)(H)	120.5560	0.419	3	120.5560	0.175	3	118.6403	3.735	97	118.0203	6.051	128	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:3:1:	N-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(CCH)	C(CCN)(H)3	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(NC[6a]H)(CH3)(CCH)	C(CCN)(H)3	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	120.3162	1.160	4	120.3162	1.346	4	118.6403	3.735	97	118.0203	6.051	128	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:3:1:	N-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(CCH)	C(CCN)(H)3	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CH3)(CCH)	C(CCN)(H)3	N(C[6a]C[6a]2)(CCC)(H)	118.5685	2.010	68	118.5685	4.042	68	118.6403	3.735	97	118.0203	6.051	128	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:3:1:	N-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(CCP)	C(CCN)(H)3	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CH3)(CCP)	C(CCN)(H)3	N(C[6a]C[6a]2)(CCC)(H)	116.8640	0.000	1	116.8640	0.000	1	118.6403	3.735	97	118.0203	6.051	128	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:3:1:	N-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(CHP)	C(CCN)(H)3	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CH3)(CHP)	C(CCN)(H)3	N(C[6a]C[6a]2)(CCC)(H)	113.6580	0.000	1	113.6580	0.000	1	118.6403	3.735	97	118.0203	6.051	128	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:3:1:	N-3:C-4:C-3:	C-3:H-1:H-1:H-1:	N[5]-3:C-3:H-1:	C(NN[5]H)(CH3)(CCH)	C(CCN)(H)3	N(N[5]C[5,6]C[5])(CCC)(H)	C(NN[5]H)(CH3)(CCH)	C(CCN)(H)3	N(N[5]C[5,6]C[5])(CCC)(H)	117.7700	0.000	1	117.7700	0.000	1	117.3065	0.430	2	118.0203	6.051	128	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:3:1:	N-3:C-4:C-3:	C-3:H-1:H-1:H-1:	N[5]-3:C-3:H-1:	C(NN[5]H)(CH3)(CCH)	C(CCN)(H)3	N(N[5]C[5]2)(CCC)(H)	C(NN[5]H)(CH3)(CCH)	C(CCN)(H)3	N(N[5]C[5]2)(CCC)(H)	116.8430	0.000	1	116.8430	0.000	1	117.3065	0.430	2	118.0203	6.051	128	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:3:1:	N-3:C-4:C-3:	C-3:H-1:H-1:H-1:	N[5a]-3:C-3:H-1:	C(NN[5a]H)(CH3)(CCH)	C(CCN)(H)3	N(N[5a]C[5a]2)(CCC)(H)	C(NN[5a]H)(CH3)(CCH)	C(CCN)(H)3	N(N[5a]C[5a]2)(CCC)(H)	116.8090	0.000	1	116.8090	0.000	1	116.8090	0.000	1	118.0203	6.051	128	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:3:1:	N-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:C-3:H-1:	C(NCrH)(CH3)(NCH)	C(CNN)(H)3	N(CCN)2(H)	C(NCrH)(CH3)(NCH)	C(CNN)(H)3	N(CCN)2(H)	115.1555	0.593	2	115.1555	0.352	2	115.1230	0.115	6	118.0203	6.051	128	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:3:1:	N-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:C-3:H-1:	C(NPdH)(CH3)(NCH)	C(CNN)(H)3	N(CCN)2(H)	C(NPdH)(CH3)(NCH)	C(CNN)(H)3	N(CCN)2(H)	114.9440	0.264	2	114.9440	0.070	2	115.1230	0.115	6	118.0203	6.051	128	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:3:1:	N-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:C-3:H-1:	C(NPtH)(CH3)(NCH)	C(CNN)(H)3	N(CCN)2(H)	C(NPtH)(CH3)(NCH)	C(CNN)(H)3	N(CCN)2(H)	115.2695	0.214	2	115.2695	0.046	2	115.1230	0.115	6	118.0203	6.051	128	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:3:1:	N-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(NHH)	C(CNN)(H)3	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(CH3)(NHH)	C(CNN)(H)3	N(C[6a]C[6a]2)(CCN)(H)	117.6970	0.134	2	117.6970	0.018	2	117.6970	0.018	2	118.0203	6.051	128	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:3:3:	N-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:B-3:C-3:	C(NC[6a]B)(CH3)(CCH)	C(CCN)(H)3	N(C[6a]C[6a]2)(BClFe)(CCC)	C(NC[6a]B)(CH3)(CCH)	C(CCN)(H)3	N(C[6a]C[6a]2)(BClFe)(CCC)	116.0720	0.000	2	116.0720	0.000	2	116.0720	0.000	2	115.8023	0.101	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:3:3:	N-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CH3)(CHS)	C(CCN)(H)3	N(C[6a]C[6a]2)(CCC)(CCO)	C(NC[6a]C)(CH3)(CHS)	C(CCN)(H)3	N(C[6a]C[6a]2)(CCC)(CCO)	115.5325	0.107	2	115.5325	0.011	2	115.5325	0.011	2	115.8023	0.101	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:4:1:	C[5]-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:C-4:H-1:	C(C[5]C[5]2)(CH3)(NCH)	C(CC[5]N)(H)3	N(CC[5]C)(CCCH)(H)	C(C[5]C[5]2)(CH3)(NCH)	C(CC[5]N)(H)3	N(CC[5]C)(CCCH)(H)	118.4190	0.000	1	118.4190	0.000	1	118.3660	0.006	2	118.8521	3.728	16	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:4:1:	C[5]-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:C-4:H-1:	C(C[5]C[5]2)(CH3)(NCH)	C(CC[5]N)(H)3	N(CC[5]C)(CCHH)(H)	C(C[5]C[5]2)(CH3)(NCH)	C(CC[5]N)(H)3	N(CC[5]C)(CCHH)(H)	118.3130	0.000	1	118.3130	0.000	1	118.3660	0.006	2	118.8521	3.728	16	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:4:1:	C[6]-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:C-4:H-1:	C(C[6]C[6]2)(CH3)(NCH)	C(CC[6]N)(H)3	N(CC[6]C)(CCHH)(H)	C(C[6]C[6]2)(CH3)(NCH)	C(CC[6]N)(H)3	N(CC[6]C)(CCHH)(H)	118.6077	1.456	9	118.6077	2.121	9	118.9215	4.260	14	118.8521	3.728	16	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:4:1:	C[6]-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:C-4:H-1:	C(C[6]C[6]2)(CH3)(NCH)	C(CC[6]N)(H)3	N(CC[6]C)(CH3)(H)	C(C[6]C[6]2)(CH3)(NCH)	C(CC[6]N)(H)3	N(CC[6]C)(CH3)(H)	121.0903	2.841	3	121.0903	8.073	3	118.9215	4.260	14	118.8521	3.728	16	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:4:1:	C[6]-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:C-4:H-1:	C(C[6]C[6]P[6])(CH3)(NCH)	C(CC[6]N)(H)3	N(CC[6]C)(CCHH)(H)	C(C[6]C[6]P[6])(CH3)(NCH)	C(CC[6]N)(H)3	N(CC[6]C)(CCHH)(H)	117.0805	0.704	2	117.0805	0.495	2	118.9215	4.260	14	118.8521	3.728	16	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:4:3:	C-3:C-4:N-3:	C-3:H-1:H-1:H-1:	B-3:C-4:C-3:	C(CRhH)(CH3)(NBC)	C(CCN)(H)3	N(BC[6a]Rh)(CC3)(CCC)	C(CRhH)(CH3)(NBC)	C(CCN)(H)3	N(BC[6a]Rh)(CC3)(CCC)	123.7140	0.000	1	123.7140	0.000	1	123.7140	0.000	1	119.5201	28.285	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:4:3:	N-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CH3)(CHH)	C(CCN)(H)3	N(C[6a]N[6a]2)(CC[6a]HH)(CCC)	C(NC[6a]C)(CH3)(CHH)	C(CCN)(H)3	N(C[6a]N[6a]2)(CC[6a]HH)(CCC)	115.8790	0.000	1	115.8790	0.000	1	115.8790	0.000	1	119.5201	28.285	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:4:3:	N-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:Ga-4:C-3:	C(NC[6a]Ga)(CH3)(CCN)	C(CCN)(H)3	N(C[6a]C[6a]2)(GaCl2N)(CCC)	C(NC[6a]Ga)(CH3)(CCN)	C(CCN)(H)3	N(C[6a]C[6a]2)(GaCl2N)(CCC)	125.7035	0.153	2	125.7035	0.024	2	125.7035	0.024	2	119.5201	28.285	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:4:3:	N-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:Nb-4:C-3:	C(NC[6a]Nb)(CH3)(CCH)	C(CCN)(H)3	N(C[6a]C[6a]2)(NbNNS)(CCC)	C(NC[6a]Nb)(CH3)(CCH)	C(CCN)(H)3	N(C[6a]C[6a]2)(NbNNS)(CCC)	113.2030	0.000	1	113.2030	0.000	1	113.2030	0.000	1	119.5201	28.285	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:4:3:	N-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:S-4:C-3:	C(NC[6a]S)(CH3)(CHI)	C(CCN)(H)3	N(C[6a]C[6a]2)(SC[6a]OO)(CCC)	C(NC[6a]S)(CH3)(CHI)	C(CCN)(H)3	N(C[6a]C[6a]2)(SC[6a]OO)(CCC)	116.7980	0.000	1	116.7980	0.000	1	116.7980	0.000	1	119.5201	28.285	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:4:3:	N-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6a]-3:Si-4:C-3:	C(NC[6a]Si)(CH3)(CCH)	C(CCN)(H)3	N(C[6a]C[6a]2)(SiHOO)(CCC)	C(NC[6a]Si)(CH3)(CCH)	C(CCN)(H)3	N(C[6a]C[6a]2)(SiHOO)(CCC)	115.6400	0.000	1	115.6400	0.000	1	115.6400	0.000	1	119.5201	28.285	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	3:4:4:	C[5]-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:C-4:C-4:	C(C[5]C[5]2)(CH3)(NCC)	C(CC[5]N)(H)3	N(CC[5]C)(CH3)2	C(C[5]C[5]2)(CH3)(NCC)	C(CC[5]N)(H)3	N(CC[5]C)(CH3)2	119.4773	2.488	6	119.4773	6.189	6	119.4773	6.189	6	119.4773	6.189	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	4:3:1:	C-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CN[5]C)(CH3)(NCH)	C(CCN)(H)3	N(CC[6a]CH)(CCC)(H)	C(CN[5]C)(CH3)(NCH)	C(CCN)(H)3	N(CC[6a]CH)(CCC)(H)	124.0390	0.000	1	124.0390	0.000	1	120.7310	21.886	2	118.3385	4.070	19	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	4:3:1:	C-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CN[5a]C)(CH3)(NCH)	C(CCN)(H)3	N(CC[6a]HH)(CCC)(H)	C(CN[5a]C)(CH3)(NCH)	C(CCN)(H)3	N(CC[6a]HH)(CCC)(H)	117.4230	0.000	1	117.4230	0.000	1	120.7310	21.886	2	118.3385	4.070	19	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	4:3:1:	C-3:C-4:N-3:	C-3:H-1:H-1:H-1:	S-4:C-3:H-1:	C(CC[6a]P[6])(CH3)(NHS)	C(CCN)(H)3	N(SC[6a]OO)(CCC)(H)	C(CC[6a]P[6])(CH3)(NHS)	C(CCN)(H)3	N(SC[6a]OO)(CCC)(H)	116.5090	0.000	1	116.5090	0.000	1	116.5090	0.000	1	118.3385	4.070	19	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	4:3:1:	C[6]-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6]C[6]2)(CH3)(NCH)	C(CC[6]N)(H)3	N(CC[6a]HH)(CC[6]C)(H)	C(C[6]C[6]2)(CH3)(NCH)	C(CC[6]N)(H)3	N(CC[6a]HH)(CC[6]C)(H)	117.4730	1.243	3	117.4730	1.545	3	117.4730	1.545	3	118.3385	4.070	19	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	4:3:1:	C[6a]-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CH3)(NCH)	C(CC[6a]N)(H)3	N(CC[6a]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CH3)(NCH)	C(CC[6a]N)(H)3	N(CC[6a]HH)(CC[6a]C)(H)	118.8680	0.344	2	118.8680	0.118	2	118.8680	0.118	2	118.3385	4.070	19	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	4:3:1:	N-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CH3)(CCH)	C(CCN)(H)3	N(C[5]C[5,6a]C[5]H)(CCC)(H)	C(NC[5]H)(CH3)(CCH)	C(CCN)(H)3	N(C[5]C[5,6a]C[5]H)(CCC)(H)	118.3270	0.000	1	118.3270	0.000	1	117.7710	0.235	3	118.3385	4.070	19	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	4:3:1:	N-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CH3)(CCH)	C(CCN)(H)3	N(C[5]C[5]2Fe)(CCC)(H)	C(NC[5]H)(CH3)(CCH)	C(CCN)(H)3	N(C[5]C[5]2Fe)(CCC)(H)	117.4930	0.078	2	117.4930	0.006	2	117.7710	0.235	3	118.3385	4.070	19	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	4:3:1:	N-3:C-4:C-3:	C-3:H-1:H-1:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CH3)(CCH)	C(CCN)(H)3	N(C[6]C[6]2H)(CCC)(H)	C(NC[6]H)(CH3)(CCH)	C(CCN)(H)3	N(C[6]C[6]2H)(CCC)(H)	120.1475	0.199	2	120.1475	0.039	2	120.1475	0.039	2	118.3385	4.070	19	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	4:3:1:	N-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(NB[3x3,3x5,12x6]H)(CH3)(NCH)	C(CNN)(H)3	N(CCHH)(CCN)(H)	C(NB[3x3,3x5,12x6]H)(CH3)(NCH)	C(CNN)(H)3	N(CCHH)(CCN)(H)	120.0190	0.000	1	120.0190	0.000	1	118.0584	4.603	5	118.3385	4.070	19	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	4:3:1:	N-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(NReH)(CH3)(NCH)	C(CNN)(H)3	N(CCCH)(CCN)(H)	C(NReH)(CH3)(NCH)	C(CNN)(H)3	N(CCCH)(CCN)(H)	115.6180	0.000	1	115.6180	0.000	1	118.0584	4.603	5	118.3385	4.070	19	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	4:3:1:	N-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(NReH)(CH3)(NCH)	C(CNN)(H)3	N(CC[6a]HH)(CCN)(H)	C(NReH)(CH3)(NCH)	C(CNN)(H)3	N(CC[6a]HH)(CCN)(H)	115.8460	0.000	1	115.8460	0.000	1	118.0584	4.603	5	118.3385	4.070	19	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	4:3:1:	N-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(NRuH)(CH3)(NCH)	C(CNN)(H)3	N(CCHH)(CCN)(H)	C(NRuH)(CH3)(NCH)	C(CNN)(H)3	N(CCHH)(CCN)(H)	119.4045	0.308	2	119.4045	0.095	2	118.0584	4.603	5	118.3385	4.070	19	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	4:3:1:	N-3:C-4:N-3:	C-3:H-1:H-1:H-1:	N-4:C-3:H-1:	C(NPdN)(CH3)(NHN)	C(CNN)(H)3	N(NPdHH)(CCN)(H)	C(NPdN)(CH3)(NHN)	C(CNN)(H)3	N(NPdHH)(CCN)(H)	116.4060	0.000	1	116.4060	0.000	1	116.4060	0.000	1	118.3385	4.070	19	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	4:3:3:	N-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-4:C-3:C-3:	C(NAlC)(CH3)(NCC)	C(CNN)(H)3	N(CCHH)(CCN)(CNN)	C(NAlC)(CH3)(NCC)	C(CNN)(H)3	N(CCHH)(CCN)(CNN)	116.8560	0.000	1	116.8560	0.000	1	116.8560	0.000	1	116.8560	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	4:4:3:	C-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CC[6]H)(CH3)(NCC)	C(CCN)(H)3	N(CCCH)(CCHH)(CCC)	C(CC[6]H)(CH3)(NCC)	C(CCN)(H)3	N(CCCH)(CCHH)(CCC)	117.6760	0.000	2	117.6760	0.000	2	117.8967	0.146	3	118.9920	5.363	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	4:4:3:	C-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CC[6a]H)(CH3)(NCC)	C(CCN)(H)3	N(CH3)2(CCC)	C(CC[6a]H)(CH3)(NCC)	C(CCN)(H)3	N(CH3)2(CCC)	118.3380	0.000	1	118.3380	0.000	1	117.8967	0.146	3	118.9920	5.363	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	4:4:3:	C[6a]-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-4:B-4:C-3:	C(C[6a]C[6a]2)(CH3)(NBC)	C(CC[6a]N)(H)3	N(CC[6a]HH)(BC[6a]3)(CC[6a]C)	C(C[6a]C[6a]2)(CH3)(NBC)	C(CC[6a]N)(H)3	N(CC[6a]HH)(BC[6a]3)(CC[6a]C)	124.1330	0.000	1	124.1330	0.000	1	124.1330	0.000	1	118.9920	5.363	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	4:4:3:	N-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(NB[3x3,3x5,12x6]H)(CH3)(NCC)	C(CNN)(H)3	N(CCHH)2(CCN)	C(NB[3x3,3x5,12x6]H)(CH3)(NCC)	C(CNN)(H)3	N(CCHH)2(CCN)	118.3860	0.000	1	118.3860	0.000	1	118.3737	0.355	3	118.9920	5.363	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	4:4:3:	N-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(NPtH)(CH3)(NCC)	C(CNN)(H)3	N(CCHH)2(CCN)	C(NPtH)(CH3)(NCC)	C(CNN)(H)3	N(CCHH)2(CCN)	118.9630	0.000	1	118.9630	0.000	1	118.3737	0.355	3	118.9920	5.363	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	4:4:3:	N-3:C-4:N-3:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(NTiH)(CH3)(NCC)	C(CNN)(H)3	N(CCHH)2(CCN)	C(NTiH)(CH3)(NCC)	C(CNN)(H)3	N(CCHH)2(CCN)	117.7720	0.000	1	117.7720	0.000	1	118.3737	0.355	3	118.9920	5.363	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	5:3:3:	N-3:C-4:C-3:	C-3:F-1:F-1:F-1:	Si[4]-5:C[6a]-3:C-3:	C(NC[6a]Si[4])(CF3)(CFF)	C(CCN)(F)3	N(Si[4]N[4]2ClF)(C[6a]C[6a]2)(CCC)	C(NC[6a]Si[4])(CF3)(CFF)	C(CCN)(F)3	N(Si[4]N[4]2ClF)(C[6a]C[6a]2)(CCC)	119.5490	0.000	2	119.5490	0.000	2	119.5490	0.000	2	119.5490	0.000	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	6:3:1:	N-3:C-4:N-3:	C-3:H-1:H-1:H-1:	B[3x3,3x5,12x6]-6:C-3:H-1:	C(NB[3x3,3x5,12x6]H)(CH3)(NCC)	C(CNN)(H)3	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(CCN)(H)	C(NB[3x3,3x5,12x6]H)(CH3)(NCC)	C(CNN)(H)3	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(CCN)(H)	121.3330	0.000	1	121.3330	0.000	1	120.4040	1.726	2	120.4040	1.726	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	6:3:1:	N-3:C-4:N-3:	C-3:H-1:H-1:H-1:	B[3x3,3x5,12x6]-6:C-3:H-1:	C(NB[3x3,3x5,12x6]H)(CH3)(NCH)	C(CNN)(H)3	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(CCN)(H)	C(NB[3x3,3x5,12x6]H)(CH3)(NCH)	C(CNN)(H)3	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(CCN)(H)	119.4750	0.000	1	119.4750	0.000	1	120.4040	1.726	2	120.4040	1.726	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	6:3:3:	N-3:C-4:C-3:	C-3:H-1:H-1:H-1:	Nb[3,3]-6:C[6a]-3:C-3:	C(NNb[3,3]C[6a])(CH3)(CCH)	C(CCN)(H)3	N(Nb[3,3]Nb[3,3,6]N[6]O[3]2N)(C[6a]C[6a]2)(CCC)	C(NNb[3,3]C[6a])(CH3)(CCH)	C(CCN)(H)3	N(Nb[3,3]Nb[3,3,6]N[6]O[3]2N)(C[6a]C[6a]2)(CCC)	113.2720	0.000	1	113.2720	0.000	1	113.2720	0.000	1	113.2720	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:1:	8:3:3:	N-3:C-4:C-3:	C-3:H-1:H-1:H-1:	Nb[5x3]-8:C[6a]-3:C-3:	C(NNb[5x3]C[6a])(CH3)(CCH)	C(CCN)(H)3	N(Nb[5x3]C[3,3,5]5ClN)(C[6a]C[6a]2)(CCC)	C(NNb[5x3]C[6a])(CH3)(CCH)	C(CCN)(H)3	N(Nb[5x3]C[3,3,5]5ClN)(C[6a]C[6a]2)(CCC)	117.1750	0.000	1	117.1750	0.000	1	117.1750	0.000	1	117.1750	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:3:1:1:	3:3:1:	C[5]-3:C-4:N-3:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5]2)(CC[6a]HH)(NC[6a]H)	C(C[6a]C[6a]2)(CC[5]N)(H)2	N(C[6a]C[6a]2)(CC[5]C)(H)	C(C[5]C[5]2)(CC[6a]HH)(NC[6a]H)	C(C[6a]C[6a]2)(CC[5]N)(H)2	N(C[6a]C[6a]2)(CC[5]C)(H)	117.9060	0.089	2	117.9060	0.008	2	117.9060	0.008	2	116.5789	0.700	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:3:1:1:	3:3:1:	N-3:C-4:C-3:	C-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(CCH)	C(CCN)(CNO)(H)2	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCHH)(CCH)	C(CCN)(CNO)(H)2	N(C[6a]C[6a]2)(CCC)(H)	116.2471	0.519	8	116.2471	0.270	8	116.2471	0.270	8	116.5789	0.700	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:3:1:1:	3:4:3:	N-3:C-4:C-3:	C-3:C-3:H-1:H-1:	C[6a]-3:S-4:C-3:	C(NC[6a]S)(CCHH)(CHS)	C(CC[6a]C)(CCN)(H)2	N(C[6a]C[6a]2)(SCOO)(CCC)	C(NC[6a]S)(CCHH)(CHS)	C(CC[6a]C)(CCN)(H)2	N(C[6a]C[6a]2)(SCOO)(CCC)	112.3760	0.000	1	112.3760	0.000	1	112.3760	0.000	1	112.3760	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:3:2:1:	3:1:1:	C-3:C-4:N-3:	C-3:C-3:O-2:H-1:	C-3:O-1:O-1:	C(CC[6a]H)(CCHO)(NOO)	C(CCN)(COO)(OH)(H)	N(CCC)(O)2	C(CC[6a]H)(CCHO)(NOO)	C(CCN)(COO)(OH)(H)	N(CCC)(O)2	114.2710	0.000	1	114.2710	0.000	1	114.2710	0.000	1	114.2710	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:4:1:1:	3:1:1:	C[6a]-3:C-4:N-3:	C-3:C-4:H-1:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(NHH)	C(CC[6a]N)(CH3)(H)2	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCHH)(NHH)	C(CC[6a]N)(CH3)(H)2	N(CC[6a]C)(H)2	116.9960	0.000	1	116.9960	0.000	1	116.9960	0.000	1	116.9960	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:4:1:1:	3:3:1:	C[5]-3:C-4:N-3:	C-3:C-4:H-1:H-1:	C-3:N-3:H-1:	C(C[5]C[5]2)(CCHH)(NHN)	C(CC[5]N)(CCHH)(H)2	N(CC[5]C)(NHS)(H)	C(C[5]C[5]2)(CCHH)(NHN)	C(CC[5]N)(CCHH)(H)2	N(CC[5]C)(NHS)(H)	117.5020	0.000	1	117.5020	0.000	1	117.9985	0.493	2	117.9985	0.493	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:4:1:1:	3:3:1:	C[5]-3:C-4:N-3:	C-3:C-4:H-1:H-1:	C-3:N-3:H-1:	C(C[5]C[5]2)(CCHH)(NHN)	C(CC[5]N)(CH3)(H)2	N(CC[5]C)(NHS)(H)	C(C[5]C[5]2)(CCHH)(NHN)	C(CC[5]N)(CH3)(H)2	N(CC[5]C)(NHS)(H)	118.4950	0.000	1	118.4950	0.000	1	117.9985	0.493	2	117.9985	0.493	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	4:3:1:1:	3:1:1:	C-3:C-4:N-3:	C-4:C-3:H-1:H-1:	C-3:O-1:O-1:	C(CC[6a]H)(CCHH)(NOO)	C(CH3)(CCN)(H)2	N(CCC)(O)2	C(CC[6a]H)(CCHH)(NOO)	C(CH3)(CCN)(H)2	N(CCC)(O)2	114.7790	0.000	1	114.7790	0.000	1	114.7790	0.000	1	116.4345	5.481	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	4:3:1:1:	3:1:1:	C[6a]-3:C-4:N-3:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCHH)(NHH)	C(CC[5]CC)(CC[6a]N)(H)2	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCHH)(NHH)	C(CC[5]CC)(CC[6a]N)(H)2	N(CC[6a]C)(H)2	118.0900	0.000	1	118.0900	0.000	1	118.0900	0.000	1	116.4345	5.481	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	4:3:1:1:	3:2:1:	N-3:C-4:N-3:	C-4:C-3:H-1:H-1:	C-3:N-2:H-1:	C(NB[5x3,4,9x5,6,6]H)(CCHH)(NHN)	C(CH3)(CNN)(H)2	N(CCN)(NC)(H)	C(NB[5x3,4,9x5,6,6]H)(CCHH)(NHN)	C(CH3)(CNN)(H)2	N(CCN)(NC)(H)	118.4140	1.812	3	118.4140	3.282	3	118.4140	3.282	3	118.4140	3.282	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	4:3:1:1:	3:3:1:	N-3:C-4:C-3:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(CCC)	C(CH3)(CCN)(H)2	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCHH)(CCC)	C(CH3)(CCN)(H)2	N(C[6a]C[6a]2)(CCC)(H)	119.2210	0.000	1	119.2210	0.000	1	118.6325	0.693	2	119.8040	4.816	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	4:3:1:1:	3:3:1:	N-3:C-4:C-3:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(CCH)	C(CCCH)(CCN)(H)2	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCHH)(CCH)	C(CCCH)(CCN)(H)2	N(C[6a]C[6a]2)(CCC)(H)	118.0440	0.000	1	118.0440	0.000	1	118.6325	0.693	2	119.8040	4.816	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	4:3:1:1:	3:3:1:	N-3:C-4:C-3:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:O-1:	C(NC[6a]O)(CCHH)(CCH)	C(CH3)(CCN)(H)2	N(C[6a]C[6a]2)(CCC)(O)	C(NC[6a]O)(CCHH)(CCH)	C(CH3)(CCN)(H)2	N(C[6a]C[6a]2)(CCC)(O)	117.5230	0.000	1	117.5230	0.000	1	120.7575	20.924	2	119.8040	4.816	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	4:3:1:1:	3:3:1:	N-3:C-4:C-3:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:O-1:	C(NC[6a]O)(CCHH)(CNO)	C(CC[6a]HH)(CCN)(H)2	N(C[6a]C[6a]2)(CCC)(O)	C(NC[6a]O)(CCHH)(CNO)	C(CC[6a]HH)(CCN)(H)2	N(C[6a]C[6a]2)(CCC)(O)	123.9920	0.000	1	123.9920	0.000	1	120.7575	20.924	2	119.8040	4.816	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	4:3:1:1:	3:3:1:	N-3:C-4:N-3:	C-4:C-3:H-1:H-1:	C-3:N-3:H-1:	C(NB[5x3,4,9x5,6,6]H)(CCHH)(NHN)	C(CH3)(CNN)(H)2	N(CCN)(NCH)(H)	C(NB[5x3,4,9x5,6,6]H)(CCHH)(NHN)	C(CH3)(CNN)(H)2	N(CCN)(NCH)(H)	120.3450	0.000	1	120.3450	0.000	1	120.3450	0.000	1	119.8040	4.816	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	4:3:1:1:	3:3:1:	N-3:C-4:N-3:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(NPtH)	C(CH3)(CNN)(H)2	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(CCHH)(NPtH)	C(CH3)(CNN)(H)2	N(C[6a]C[6a]2)(CCN)(H)	119.7690	1.902	3	119.7690	3.619	3	119.7690	3.619	3	119.8040	4.816	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	4:3:1:1:	3:3:3:	N-3:C-4:N-3:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CCHH)(NPdH)	C(CH3)(CNN)(H)2	N(C[6a]C[6a]2)(CCN)(CHN)	C(NC[6a]C)(CCHH)(NPdH)	C(CH3)(CNN)(H)2	N(C[6a]C[6a]2)(CCN)(CHN)	116.6980	0.272	3	116.6980	0.074	3	116.6980	0.074	3	116.6980	0.074	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	4:3:1:1:	3:4:1:	C[5]-3:C-4:N-3:	C-4:C-3:H-1:H-1:	C-3:C-4:H-1:	C(C[5]C[5]2)(CCHH)(NCH)	C(CC[6a]HN)(CC[5]N)(H)2	N(CC[5]C)(CCHH)(H)	C(C[5]C[5]2)(CCHH)(NCH)	C(CC[6a]HN)(CC[5]N)(H)2	N(CC[5]C)(CCHH)(H)	117.3390	0.000	1	117.3390	0.000	1	117.3390	0.000	1	118.3250	1.944	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	4:3:1:1:	3:4:1:	C[6a]-3:C-4:N-3:	B-4:C-3:H-1:H-1:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CBHH)(NCH)	C(BC[6a]3)(CC[6a]N)(H)2	N(CC[6a]C)(CCCH)(H)	C(C[6a]C[6a]2)(CBHH)(NCH)	C(BC[6a]3)(CC[6a]N)(H)2	N(CC[6a]C)(CCCH)(H)	119.3110	0.000	1	119.3110	0.000	1	119.3110	0.000	1	118.3250	1.944	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	4:3:1:1:	3:4:3:	N-3:C-4:C-3:	S-4:C-3:H-1:H-1:	C[6a]-3:S-4:C-3:	C(NC[6a]S)(CHHS)(CCH)	C(SC[6a]OO)(CCN)(H)2	N(C[6a]C[6a]2)(SCOO)(CCC)	C(NC[6a]S)(CHHS)(CCH)	C(SC[6a]OO)(CCN)(H)2	N(C[6a]C[6a]2)(SCOO)(CCC)	116.7510	0.000	1	116.7510	0.000	1	116.7510	0.000	1	116.7510	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	4:3:1:1:	4:3:1:	C-3:C-4:N-3:	C-4:C-3:H-1:H-1:	S-4:C-3:H-1:	C(CC[6a]C)(CCHH)(NHS)	C(CCHH)(CCN)(H)2	N(SO3)(CCC)(H)	C(CC[6a]C)(CCHH)(NHS)	C(CCHH)(CCN)(H)2	N(SO3)(CCC)(H)	117.5160	0.000	1	117.5160	0.000	1	117.5160	0.000	1	117.5160	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	4:3:1:1:	6:3:1:	N-3:C-4:N-3:	C-4:C-3:H-1:H-1:	B[3x3,3x5,12x6]-6:C-3:H-1:	C(NB[3x3,3x5,12x6]H)(CCHH)(NNiC)	C(CH3)(CNN)(H)2	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Ni)(CCN)(H)	C(NB[3x3,3x5,12x6]H)(CCHH)(NNiC)	C(CH3)(CNN)(H)2	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Ni)(CCN)(H)	117.8590	0.000	1	117.8590	0.000	1	117.8590	0.000	1	120.7050	3.872	5	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	4:3:1:1:	6:3:1:	N-3:C-4:N-3:	C-4:C-3:H-1:H-1:	B[5x3,4,9x5,6,6]-6:C-3:H-1:	C(NB[5x3,4,9x5,6,6]H)(CCHH)(NHN)	C(CH3)(CNN)(H)2	N(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(CCN)(H)	C(NB[5x3,4,9x5,6,6]H)(CCHH)(NHN)	C(CH3)(CNN)(H)2	N(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(CCN)(H)	121.4165	1.337	4	121.4165	1.787	4	121.4165	1.787	4	120.7050	3.872	5	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	4:3:3:1:	3:3:1:	N-3:C-4:C-3:	C-4:C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCH)(CCH)	C(CCHH)(CCN)(CNO)(H)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCCH)(CCH)	C(CCHH)(CCN)(CNO)(H)	N(C[6a]C[6a]2)(CCC)(H)	114.8533	0.222	3	114.8533	0.049	3	114.8533	0.049	3	114.8533	0.049	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	4:3:4:1:	4:3:1:	C[6a]-3:C-4:N-3:	B-4:C-3:C-4:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CBCH)(NCH)	C(BC[6a]3)(CC[6a]N)(CH3)(H)	N(CC[6a]CH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CBCH)(NCH)	C(BC[6a]3)(CC[6a]N)(CH3)(H)	N(CC[6a]CH)(CC[6a]C)(H)	121.3090	0.000	1	121.3090	0.000	1	121.3090	0.000	1	121.3090	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	4:4:4:3:	3:3:3:	N-3:C-4:C-3:	C-4:C-4:C-4:C-3:	C[6a]-3:B-3:C-3:	C(NC[6a]B)(CC3)(CCH)	C(CH3)3(CCN)	N(C[6a]C[6a]2)(BClN)(CCC)	C(NC[6a]B)(CC3)(CCH)	C(CH3)3(CCN)	N(C[6a]C[6a]2)(BClN)(CCC)	117.2660	0.000	1	117.2660	0.000	1	117.2660	0.000	1	117.2660	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:4:	3:1:1:1:	3:3:1:	N-3:C-4:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(CH3)	C(CCN)(H)3	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCHH)(CH3)	C(CCN)(H)3	N(C[6a]C[6a]2)(CCC)(H)	119.1744	0.573	5	119.1744	0.329	5	119.7867	3.044	14	119.7867	3.044	14	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:4:	3:1:1:1:	3:3:1:	N-3:C-4:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)2	C(CCN)(H)3	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CH3)2	C(CCN)(H)3	N(C[6a]C[6a]2)(CCC)(H)	120.5165	1.867	8	120.5165	3.487	8	119.7867	3.044	14	119.7867	3.044	14	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:4:	3:1:1:1:	3:3:1:	N-3:C-4:C-4:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CPdCH)(CH3)	C(CCN)(H)3	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CPdCH)(CH3)	C(CCN)(H)3	N(C[6a]C[6a]2)(CCC)(H)	117.0100	0.000	1	117.0100	0.000	1	119.7867	3.044	14	119.7867	3.044	14	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:4:	3:3:1:1:	3:3:1:	N-3:C-4:C-4:	C-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(CH3)	C(CCN)(CCO)(H)2	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCHH)(CH3)	C(CCN)(CCO)(H)2	N(C[6a]C[6a]2)(CCC)(H)	122.2440	0.000	1	122.2440	0.000	1	122.2440	0.000	1	122.2440	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:4:	4:3:1:1:	3:3:1:	N-3:C-4:C-4:	C-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(CH3)	C(CCCN)(CCN)(H)2	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCHH)(CH3)	C(CCCN)(CCN)(H)2	N(C[6a]C[6a]2)(CCC)(H)	122.4522	1.372	4	122.4522	1.882	4	122.4522	1.882	4	122.4522	1.882	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	3:4:4:	4:4:4:3:	5:3:1:	N-3:C-4:C-4:	C-4:C-4:C-4:C-3:	Nb-5:C-3:H-1:	C(NNbH)(CC3)2	C(CH3)3(CCN)	N(NbNNOO)(CCC)(H)	C(NNbH)(CC3)2	C(CH3)3(CCN)	N(NbNNOO)(CCC)(H)	118.2540	0.564	2	118.2540	0.318	2	118.2540	0.318	2	118.2540	0.318	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:2:3:	3:3:1:1:	4:3:1:	C-4:N-2:N-3:	C[5a]-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[5a]HH)(NC[6a])(NCH)	C(C[5a]C[5a,6a]C[5a])(CNN)(H)2	N(CCHH)(CCN)(H)	C(CC[5a]HH)(NC[6a])(NCH)	C(C[5a]C[5a,6a]C[5a])(CNN)(H)2	N(CCHH)(CCN)(H)	114.7450	0.000	1	114.7450	0.000	1	115.6740	1.130	5	115.6740	1.130	5	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:2:3:	3:3:1:1:	4:3:1:	C-4:N-2:N-3:	C[5a]-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[5a]HH)(NC[6a])(NCH)	C(C[5a]C[5a,6a]C[5a])(CNN)(H)2	N(CC[6a]HH)(CCN)(H)	C(CC[5a]HH)(NC[6a])(NCH)	C(C[5a]C[5a,6a]C[5a])(CNN)(H)2	N(CC[6a]HH)(CCN)(H)	115.9062	1.071	4	115.9062	1.148	4	115.6740	1.130	5	115.6740	1.130	5	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:2:3:	3:3:1:1:	4:4:3:	C-4:N-2:N-3:	C[6a]-3:C-3:H-1:H-1:	C-4:S-4:C-3:	C(CC[6a]HH)(NC[6a])(NCS)	C(C[6a]C[6a]2)(CNN)(H)2	N(CC[6a]HH)(SC[6a]OO)(CCN)	C(CC[6a]HH)(NC[6a])(NCS)	C(C[6a]C[6a]2)(CNN)(H)2	N(CC[6a]HH)(SC[6a]OO)(CCN)	114.9390	0.000	1	114.9390	0.000	1	114.9390	0.000	1	114.9390	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:2:3:	3:3:3:1:	4:3:1:	C-4:N-2:N-3:	C[6a]-3:N-3:C-3:H-1:	C-4:C-3:H-1:	C(CC[6a]HN)(NC[6a])(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(CNN)(H)	N(CC3)(CCN)(H)	C(CC[6a]HN)(NC[6a])(NCH)	C(C[6a]C[6a]2)(NC[6a]H)(CNN)(H)	N(CC3)(CCN)(H)	113.9000	0.857	4	113.9000	0.735	4	113.9000	0.735	4	113.9000	0.735	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	2:3:1:1:	2:3:1:	C-4:N-3:O-1:	O-2:C-3:H-1:H-1:	N-2:C-3:H-1:	C(CHHO)(NHN)(O)	C(OC[6a])(CNO)(H)2	N(NC[5])(CCO)(H)	C(CHHO)(NHN)(O)	C(OC[6a])(CNO)(H)2	N(NC[5])(CCO)(H)	115.3730	0.000	1	115.3730	0.000	1	115.3730	0.000	1	115.3730	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	2:3:1:1:	3:1:1:	C-4:N-3:O-1:	O-2:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CHHO)(NHH)(O)	C(OC[6a])(CNO)(H)2	N(CCO)(H)2	C(CHHO)(NHH)(O)	C(OC[6a])(CNO)(H)2	N(CCO)(H)2	118.5630	0.000	1	118.5630	0.000	1	118.5630	0.000	1	116.6155	4.667	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	2:3:1:1:	3:1:1:	C-4:N-3:O-1:	S-2:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CHHS)(NHH)(O)	C(SC[5])(CNO)(H)2	N(CCO)(H)2	C(CHHS)(NHH)(O)	C(SC[5])(CNO)(H)2	N(CCO)(H)2	114.0850	0.000	1	114.0850	0.000	1	115.9663	4.472	3	116.6155	4.667	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	2:3:1:1:	3:1:1:	C-4:N-3:O-1:	S-2:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CHHS)(NHH)(O)	C(SC[5a])(CNO)(H)2	N(CCO)(H)2	C(CHHS)(NHH)(O)	C(SC[5a])(CNO)(H)2	N(CCO)(H)2	115.5590	0.000	1	115.5590	0.000	1	115.9663	4.472	3	116.6155	4.667	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	2:3:1:1:	3:1:1:	C-4:N-3:O-1:	S-2:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CHHS)(NHH)(O)	C(SC[6])(CNO)(H)2	N(CCO)(H)2	C(CHHS)(NHH)(O)	C(SC[6])(CNO)(H)2	N(CCO)(H)2	118.2550	0.000	1	118.2550	0.000	1	115.9663	4.472	3	116.6155	4.667	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	2:3:1:1:	3:2:1:	C-4:N-3:O-1:	O-2:C-3:H-1:H-1:	C-3:N-2:H-1:	C(CHHO)(NHN)(O)	C(OC[6a])(CNO)(H)2	N(CCO)(NC)(H)	C(CHHO)(NHN)(O)	C(OC[6a])(CNO)(H)2	N(CCO)(NC)(H)	117.2866	1.316	17	117.2866	1.732	17	117.2866	1.732	17	117.2503	1.654	18	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	2:3:1:1:	3:2:1:	C-4:N-3:O-1:	S-2:C-3:H-1:H-1:	C-3:N-2:H-1:	C(CHHS)(NHN)(O)	C(SC[5a])(CNO)(H)2	N(CCO)(NC)(H)	C(CHHS)(NHN)(O)	C(SC[5a])(CNO)(H)2	N(CCO)(NC)(H)	116.6330	0.000	1	116.6330	0.000	1	116.6330	0.000	1	117.2503	1.654	18	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	2:3:1:1:	3:3:1:	C-4:N-3:O-1:	O-2:C-3:H-1:H-1:	C-3:C-3:H-1:	C(CHHO)(NCH)(O)	C(OC[6a])(CNO)(H)2	N(CCO)(CNO)(H)	C(CHHO)(NCH)(O)	C(OC[6a])(CNO)(H)2	N(CCO)(CNO)(H)	116.0840	2.437	2	116.0840	5.937	2	115.5132	2.879	4	116.0076	2.252	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	2:3:1:1:	3:3:1:	C-4:N-3:O-1:	O-2:C-3:H-1:H-1:	C-3:C-3:H-1:	C(CHHO)(NCH)(O)	C(OC[6a])(CNO)(H)2	N(CCO)(CNS)(H)	C(CHHO)(NCH)(O)	C(OC[6a])(CNO)(H)2	N(CCO)(CNS)(H)	114.9425	1.182	2	114.9425	1.396	2	115.5132	2.879	4	116.0076	2.252	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	2:3:1:1:	3:3:1:	C-4:N-3:O-1:	O-2:C-3:H-1:H-1:	C-3:N-3:H-1:	C(CHHO)(NHN)(O)	C(OC[6a])(CNO)(H)2	N(CCO)(NCH)(H)	C(CHHO)(NHN)(O)	C(OC[6a])(CNO)(H)2	N(CCO)(NCH)(H)	115.2880	1.073	12	115.2880	1.152	12	116.1018	2.212	21	116.0076	2.252	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	2:3:1:1:	3:3:1:	C-4:N-3:O-1:	O-2:C-3:H-1:H-1:	C-3:N-3:H-1:	C(CHHO)(NHN)(O)	C(OC[6a])(CNO)(H)2	N(CCO)(NHH)(H)	C(CHHO)(NHN)(O)	C(OC[6a])(CNO)(H)2	N(CCO)(NHH)(H)	117.4550	1.059	8	117.4550	1.121	8	116.1018	2.212	21	116.0076	2.252	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	2:3:1:1:	3:3:1:	C-4:N-3:O-1:	O-2:C-3:H-1:H-1:	C-3:N-3:H-1:	C(CHHO)(NHN)(O)	C(OC[6a])(CNO)(H)2	N(CCO)(NHP)(H)	C(CHHO)(NHN)(O)	C(OC[6a])(CNO)(H)2	N(CCO)(NHP)(H)	115.0420	0.000	1	115.0420	0.000	1	116.1018	2.212	21	116.0076	2.252	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	2:3:1:1:	3:3:3:	C-4:N-3:O-1:	O-2:C-3:H-1:H-1:	C-3:C-3:N-3:	C(CHHO)(NCN)(O)	C(OC[6a])(CNO)(H)2	N(CCO)2(NCC)	C(CHHO)(NCN)(O)	C(OC[6a])(CNO)(H)2	N(CCO)2(NCC)	118.8065	0.685	2	118.8065	0.469	2	118.8065	0.469	2	118.8065	0.469	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	2:3:1:1:	4:3:1:	C-4:N-3:O-1:	O-2:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(NCH)(O)	C(OC[6a])(CNO)(H)2	N(CCCH)(CCO)(H)	C(CHHO)(NCH)(O)	C(OC[6a])(CNO)(H)2	N(CCCH)(CCO)(H)	117.4736	1.464	15	117.4736	2.144	15	116.6238	1.530	112	116.6134	1.528	113	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	2:3:1:1:	4:3:1:	C-4:N-3:O-1:	O-2:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(NCH)(O)	C(OC[6a])(CNO)(H)2	N(CCHH)(CCO)(H)	C(CHHO)(NCH)(O)	C(OC[6a])(CNO)(H)2	N(CCHH)(CCO)(H)	116.4282	1.060	68	116.4282	1.124	68	116.6238	1.530	112	116.6134	1.528	113	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	2:3:1:1:	4:3:1:	C-4:N-3:O-1:	O-2:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(NCH)(O)	C(OC[6a])(CNO)(H)2	N(CC[6]HH)(CCO)(H)	C(CHHO)(NCH)(O)	C(OC[6a])(CNO)(H)2	N(CC[6]HH)(CCO)(H)	116.3820	0.000	1	116.3820	0.000	1	116.6238	1.530	112	116.6134	1.528	113	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	2:3:1:1:	4:3:1:	C-4:N-3:O-1:	O-2:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(NCH)(O)	C(OC[6a])(CNO)(H)2	N(CC[6a]HH)(CCO)(H)	C(CHHO)(NCH)(O)	C(OC[6a])(CNO)(H)2	N(CC[6a]HH)(CCO)(H)	116.6147	1.405	26	116.6147	1.973	26	116.6238	1.530	112	116.6134	1.528	113	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	2:3:1:1:	4:3:1:	C-4:N-3:O-1:	O-2:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(NCH)(O)	C(OC[6a])(CNO)(H)2	N(CH3)(CCO)(H)	C(CHHO)(NCH)(O)	C(OC[6a])(CNO)(H)2	N(CH3)(CCO)(H)	117.1400	1.042	2	117.1400	1.086	2	116.6238	1.530	112	116.6134	1.528	113	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	2:3:1:1:	4:3:1:	C-4:N-3:O-1:	S-2:C-3:F-1:F-1:	C-4:C-3:H-1:	C(CFFS)(NCH)(O)	C(SC[6a])(CNO)(F)2	N(CCCH)(CCO)(H)	C(CFFS)(NCH)(O)	C(SC[6a])(CNO)(F)2	N(CCCH)(CCO)(H)	115.4520	0.000	1	115.4520	0.000	1	115.4520	0.000	1	116.6134	1.528	113	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	2:3:1:1:	4:4:3:	C-4:N-3:O-1:	O-2:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHO)(NCC)(O)	C(OC[6a])(CNO)(H)2	N(CCCH)2(CCO)	C(CHHO)(NCC)(O)	C(OC[6a])(CNO)(H)2	N(CCCH)2(CCO)	118.7030	0.000	1	118.7030	0.000	1	118.4942	4.915	9	118.4942	4.915	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	2:3:1:1:	4:4:3:	C-4:N-3:O-1:	O-2:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHO)(NCC)(O)	C(OC[6a])(CNO)(H)2	N(CCHH)2(CCO)	C(CHHO)(NCC)(O)	C(OC[6a])(CNO)(H)2	N(CCHH)2(CCO)	117.9513	1.717	6	117.9513	2.949	6	118.4942	4.915	9	118.4942	4.915	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	2:3:1:1:	4:4:3:	C-4:N-3:O-1:	O-2:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHO)(NCC)(O)	C(OC[6a])(CNO)(H)2	N(CC[5a]C[6a]H)(CC[6a]HH)(CCO)	C(CHHO)(NCC)(O)	C(OC[6a])(CNO)(H)2	N(CC[5a]C[6a]H)(CC[6a]HH)(CCO)	123.0280	0.000	1	123.0280	0.000	1	118.4942	4.915	9	118.4942	4.915	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	2:3:1:1:	4:4:3:	C-4:N-3:O-1:	O-2:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHO)(NCC)(O)	C(OC[6a])(CNO)(H)2	N(CH3)2(CCO)	C(CHHO)(NCC)(O)	C(OC[6a])(CNO)(H)2	N(CH3)2(CCO)	117.0090	0.000	1	117.0090	0.000	1	118.4942	4.915	9	118.4942	4.915	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	2:3:2:1:	4:3:1:	C-4:N-3:O-1:	S-2:C-3:O-2:H-1:	C-4:C-3:H-1:	C(CHOS)(NCH)(O)	C(SC[6a])(CNO)(OC)(H)	N(CC[6a]HH)(CCO)(H)	C(CHOS)(NCH)(O)	C(SC[6a])(CNO)(OC)(H)	N(CC[6a]HH)(CCO)(H)	117.6140	0.000	1	117.6140	0.000	1	117.6140	0.000	1	117.6140	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	2:4:3:1:	3:1:1:	C-4:N-3:O-1:	N-2:C-4:C-3:H-1:	C-3:H-1:H-1:	C(CCHN)(NHH)(O)	C(NC[6a])(CH3)(CNO)(H)	N(CCO)(H)2	C(CCHN)(NHH)(O)	C(NC[6a])(CH3)(CNO)(H)	N(CCO)(H)2	114.8310	0.000	1	114.8310	0.000	1	114.8310	0.000	1	114.8310	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	2:4:3:1:	3:3:1:	C-4:N-3:O-1:	O-2:C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCHO)(NCH)(O)	C(OC[6a])(CH3)(CNO)(H)	N(CCO)(CNS)(H)	C(CCHO)(NCH)(O)	C(OC[6a])(CH3)(CNO)(H)	N(CCO)(CNS)(H)	116.2035	0.042	2	116.2035	0.002	2	116.2035	0.002	2	116.0335	0.663	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	2:4:3:1:	3:3:1:	C-4:N-3:O-1:	O-2:C-4:C-3:H-1:	C-3:N-3:H-1:	C(CCHO)(NHN)(O)	C(OC[6a])(CH3)(CNO)(H)	N(CCO)(NCH)(H)	C(CCHO)(NHN)(O)	C(OC[6a])(CH3)(CNO)(H)	N(CCO)(NCH)(H)	116.8310	0.000	1	116.8310	0.000	1	115.8635	1.872	2	116.0335	0.663	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	2:4:3:1:	3:3:1:	C-4:N-3:O-1:	O-2:C-4:C-3:H-1:	C-3:N-3:H-1:	C(CCHO)(NHN)(O)	C(OC[6a])(CH3)(CNO)(H)	N(CCO)(NHH)(H)	C(CCHO)(NHN)(O)	C(OC[6a])(CH3)(CNO)(H)	N(CCO)(NHH)(H)	114.8960	0.000	1	114.8960	0.000	1	115.8635	1.872	2	116.0335	0.663	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	2:4:3:1:	4:3:1:	C-4:N-3:O-1:	S-2:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCHS)(NCH)(O)	C(SC[6a])(CH3)(CNO)(H)	N(CC[6a]CH)(CCO)(H)	C(CCHS)(NCH)(O)	C(SC[6a])(CH3)(CNO)(H)	N(CC[6a]CH)(CCO)(H)	115.0210	1.025	3	115.0210	1.051	3	115.0210	1.051	3	115.0210	1.051	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	2:4:3:1:	4:3:3:	C-4:N-3:O-1:	O-2:C-4:C-3:H-1:	C-4:C-3:C-3:	C(CCHO)(NCC)(O)	C(OC[6])(CH3)(CNO)(H)	N(CC[6]HH)(CCO)(CNO)	C(CCHO)(NCC)(O)	C(OC[6])(CH3)(CNO)(H)	N(CC[6]HH)(CCO)(CNO)	116.3732	0.419	4	116.3732	0.175	4	116.3732	0.175	4	116.3732	0.175	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	2:4:3:1:	4:4:3:	C-4:N-3:O-1:	O-2:C-4:C-3:H-1:	C-4:C-4:C-3:	C(CCHO)(NCC)(O)	C(OC[6a])(CH3)(CNO)(H)	N(CCCH)2(CCO)	C(CCHO)(NCC)(O)	C(OC[6a])(CH3)(CNO)(H)	N(CCCH)2(CCO)	119.6401	2.860	8	119.6401	8.181	8	120.1421	7.490	10	120.1421	7.490	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	2:4:3:1:	4:4:3:	C-4:N-3:O-1:	O-2:C-4:C-3:H-1:	C-4:C-4:C-3:	C(CCHO)(NCC)(O)	C(OC[6a])(CH3)(CNO)(H)	N(CCHH)2(CCO)	C(CCHO)(NCC)(O)	C(OC[6a])(CH3)(CNO)(H)	N(CCHH)2(CCO)	122.1500	0.255	2	122.1500	0.065	2	120.1421	7.490	10	120.1421	7.490	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	2:4:4:3:	3:2:1:	C-4:N-3:O-1:	O-2:C-4:C-4:C-3:	C-3:O-2:H-1:	C(CCCO)(NHO)(O)	C(OC[6a])(CH3)2(CNO)	N(CCO)(OC)(H)	C(CCCO)(NHO)(O)	C(OC[6a])(CH3)2(CNO)	N(CCO)(OC)(H)	115.2530	0.000	1	115.2530	0.000	1	115.2530	0.000	1	115.2530	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	2:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	N-2:C-3:H-1:	C(CH3)(NHN)(O)	C(CNO)(H)3	N(NC[6])(CCO)(H)	C(CH3)(NHN)(O)	C(CNO)(H)3	N(NC[6])(CCO)(H)	117.9620	0.509	2	117.9620	0.259	2	117.9620	0.259	2	116.8723	3.692	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	2:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	O-2:C-3:H-1:	C(CH3)(NHO)(O)	C(CNO)(H)3	N(OC[6a])(CCO)(H)	C(CH3)(NHO)(O)	C(CNO)(H)3	N(OC[6a])(CCO)(H)	114.6930	0.000	1	114.6930	0.000	1	114.6930	0.000	1	116.8723	3.692	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	2:4:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	O-2:C-4:C-3:	C(CH3)(NCO)(O)	C(CNO)(H)3	N(OC[6a])(CCHO)(CCO)	C(CH3)(NCO)(O)	C(CNO)(H)3	N(OC[6a])(CCHO)(CCO)	116.6110	0.000	1	116.6110	0.000	1	116.6110	0.000	1	116.6110	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	3:1:1:	C-4:N-3:O-1:	C-3:Br-1:Br-1:Br-1:	C-3:H-1:H-1:	C(CBr3)(NHH)(O)	C(CNO)(Br)3	N(CCO)(H)2	C(CBr3)(NHH)(O)	C(CNO)(Br)3	N(CCO)(H)2	116.5020	0.402	3	116.5020	0.162	3	116.5020	0.162	3	117.0626	2.080	22	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	3:1:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-3:H-1:H-1:	C(CH3)(NHH)(O)	C(CNO)(H)3	N(CCO)(H)2	C(CH3)(NHH)(O)	C(CNO)(H)3	N(CCO)(H)2	117.5157	1.112	16	117.5157	1.237	16	117.5157	1.237	16	117.0626	2.080	22	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	3:1:1:	C-4:N-3:S-1:	C-3:H-1:H-1:H-1:	C-3:H-1:H-1:	C(CH3)(NHH)(S)	C(CNS)(H)3	N(CCS)(H)2	C(CH3)(NHH)(S)	C(CNS)(H)3	N(CCS)(H)2	115.2063	2.262	3	115.2063	5.117	3	115.2063	5.117	3	117.0626	2.080	22	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	3:2:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-3:N-2:H-1:	C(CH3)(NHN)(O)	C(CNO)(H)3	N(CCO)(NC)(H)	C(CH3)(NHN)(O)	C(CNO)(H)3	N(CCO)(NC)(H)	117.4732	1.438	33	117.4732	2.069	33	117.4732	2.069	33	117.3735	2.344	34	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	3:2:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-3:O-2:H-1:	C(CH3)(NHO)(O)	C(CNO)(H)3	N(CCO)(OH)(H)	C(CH3)(NHO)(O)	C(CNO)(H)3	N(CCO)(OH)(H)	114.0810	0.000	1	114.0810	0.000	1	114.0810	0.000	1	117.3735	2.344	34	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	3:2:2:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-3:N-2:S-2:	C(CH3)(NNS)(O)	C(CNO)(H)3	N(CCO)(NC)(SS)	C(CH3)(NNS)(O)	C(CNO)(H)3	N(CCO)(NC)(SS)	116.5405	0.162	2	116.5405	0.026	2	116.5405	0.026	2	116.5405	0.026	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	3:3:1:	C-4:N-3:O-1:	C-3:Cl-1:Cl-1:Cl-1:	C-3:C-3:H-1:	C(CCl3)(NCH)(O)	C(CNO)(Cl)3	N(CCO)(CNO)(H)	C(CCl3)(NCH)(O)	C(CNO)(Cl)3	N(CCO)(CNO)(H)	113.6370	0.000	1	113.6370	0.000	1	114.1020	0.432	2	115.0031	0.837	70	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	3:3:1:	C-4:N-3:O-1:	C-3:Cl-1:Cl-1:Cl-1:	C-3:C-3:H-1:	C(CCl3)(NCH)(O)	C(CNO)(Cl)3	N(CCO)(COO)(H)	C(CCl3)(NCH)(O)	C(CNO)(Cl)3	N(CCO)(COO)(H)	114.5670	0.000	1	114.5670	0.000	1	114.1020	0.432	2	115.0031	0.837	70	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	3:3:1:	C-4:N-3:O-1:	C-3:Cl-1:H-1:H-1:	C-3:C-3:H-1:	C(CClHH)(NCH)(O)	C(CNO)(Cl)(H)2	N(CCO)(CNO)(H)	C(CClHH)(NCH)(O)	C(CNO)(Cl)(H)2	N(CCO)(CNO)(H)	112.3595	0.511	2	112.3595	0.261	2	112.3595	0.261	2	115.0031	0.837	70	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	3:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-3:C-3:H-1:	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CCC)(CCO)(H)	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CCC)(CCO)(H)	115.3822	0.625	10	115.3822	0.391	10	115.0114	0.536	54	115.0031	0.837	70	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	3:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-3:C-3:H-1:	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CCN)(CCO)(H)	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CCN)(CCO)(H)	114.6833	0.567	3	114.6833	0.322	3	115.0114	0.536	54	115.0031	0.837	70	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	3:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-3:C-3:H-1:	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CCO)(CHN)(H)	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CCO)(CHN)(H)	116.4220	0.000	1	116.4220	0.000	1	115.0114	0.536	54	115.0031	0.837	70	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	3:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-3:C-3:H-1:	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CCO)(CNO)(H)	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CCO)(CNO)(H)	114.3773	0.563	4	114.3773	0.317	4	115.0114	0.536	54	115.0031	0.837	70	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	3:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-3:C-3:H-1:	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CCO)(CNS)(H)	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CCO)(CNS)(H)	114.6287	0.516	18	114.6287	0.266	18	115.0114	0.536	54	115.0031	0.837	70	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	3:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-3:C-3:H-1:	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CCO)(COS)(H)	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CCO)(COS)(H)	116.0030	0.000	1	116.0030	0.000	1	115.0114	0.536	54	115.0031	0.837	70	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	3:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-3:C-3:H-1:	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[5a]C[6a])(CCO)(H)	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[5a]C[6a])(CCO)(H)	115.6020	0.000	1	115.6020	0.000	1	115.0114	0.536	54	115.0031	0.837	70	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	3:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-3:C-3:H-1:	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[6a]C)(CCO)(H)	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[6a]C)(CCO)(H)	115.3005	0.749	15	115.3005	0.561	15	115.0114	0.536	54	115.0031	0.837	70	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	3:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-3:C-3:H-1:	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[6a]C[6])(CCO)(H)	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[6a]C[6])(CCO)(H)	114.3860	0.000	1	114.3860	0.000	1	115.0114	0.536	54	115.0031	0.837	70	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	3:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-3:N-3:H-1:	C(CH3)(NHN)(O)	C(CNO)(H)3	N(CCO)(NCC)(H)	C(CH3)(NHN)(O)	C(CNO)(H)3	N(CCO)(NCC)(H)	115.0315	0.432	2	115.0315	0.187	2	115.3647	0.700	10	115.0031	0.837	70	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	3:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-3:N-3:H-1:	C(CH3)(NHN)(O)	C(CNO)(H)3	N(CCO)(NCH)(H)	C(CH3)(NHN)(O)	C(CNO)(H)3	N(CCO)(NCH)(H)	115.2052	0.934	6	115.2052	0.873	6	115.3647	0.700	10	115.0031	0.837	70	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	3:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-3:N-3:H-1:	C(CH3)(NHN)(O)	C(CNO)(H)3	N(CCO)(NHH)(H)	C(CH3)(NHN)(O)	C(CNO)(H)3	N(CCO)(NHH)(H)	116.1765	0.235	2	116.1765	0.055	2	115.3647	0.700	10	115.0031	0.837	70	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	3:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	N-3:C-3:H-1:	C(CH3)(NHN)(O)	C(CNO)(H)3	N(NC[6a]H)(CCO)(H)	C(CH3)(NHN)(O)	C(CNO)(H)3	N(NC[6a]H)(CCO)(H)	115.8590	0.000	1	115.8590	0.000	1	115.8590	0.000	1	115.0031	0.837	70	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	3:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	P-3:C-3:H-1:	C(CH3)(NHP)(O)	C(CNO)(H)3	N(PC[6a]2)(CCO)(H)	C(CH3)(NHP)(O)	C(CNO)(H)3	N(PC[6a]2)(CCO)(H)	117.1690	0.000	1	117.1690	0.000	1	117.1690	0.000	1	115.0031	0.837	70	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	3:3:2:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-3:C-3:N-2:	C(CH3)(NCN)(O)	C(CNO)(H)3	N(CCC)(CCO)(NC)	C(CH3)(NCN)(O)	C(CNO)(H)3	N(CCC)(CCO)(NC)	117.4310	0.653	2	117.4310	0.427	2	117.4310	0.427	2	116.7400	0.782	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	3:3:2:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-3:C-3:O-2:	C(CH3)(NCO)(O)	C(CNO)(H)3	N(CCO)(CNO)(OC)	C(CH3)(NCO)(O)	C(CNO)(H)3	N(CCO)(CNO)(OC)	116.0490	0.103	2	116.0490	0.011	2	116.0490	0.011	2	116.7400	0.782	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	3:3:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-3:C-3:N-3:	C(CH3)(NCN)(O)	C(CNO)(H)3	N(CCO)2(NCC)	C(CH3)(NCN)(O)	C(CNO)(H)3	N(CCO)2(NCC)	117.4528	0.991	6	117.4528	0.983	6	117.4528	0.983	6	117.4528	0.983	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	3:4:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-3:C-4:C-3:	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[5a]O)(CC3)(CCO)	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[5a]O)(CC3)(CCO)	116.9705	0.067	2	116.9705	0.005	2	117.9040	1.207	5	117.9040	1.207	5	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	3:4:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-3:C-4:C-3:	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[6a]C)(CCHH)(CCO)	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[6a]C)(CCHH)(CCO)	118.1510	0.000	1	118.1510	0.000	1	117.9040	1.207	5	117.9040	1.207	5	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	3:4:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-3:C-4:C-3:	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[6a]O)(CCHH)(CCO)	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[6a]O)(CCHH)(CCO)	118.7140	1.307	2	118.7140	1.708	2	117.9040	1.207	5	117.9040	1.207	5	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:H-1:	C-3:F-1:F-1:F-1:	C-4:C-3:O-1:	C(CF3)(NCO)(H)	C(CHN)(F)3	N(CC[6a]CH)(CCH)(O)	C(CF3)(NCO)(H)	C(CHN)(F)3	N(CC[6a]CH)(CCH)(O)	121.4760	0.000	1	121.4760	0.000	1	121.4760	0.000	1	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:H-1:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(H)	C(CHN)(H)3	N(CCHH)(CCH)(H)	C(CH3)(NCH)(H)	C(CHN)(H)3	N(CCHH)(CCH)(H)	111.5340	0.000	1	111.5340	0.000	1	111.5340	0.000	1	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:H-1:	C-3:H-1:H-1:H-1:	C-4:C-3:O-1:	C(CH3)(NCO)(H)	C(CHN)(H)3	N(CCHH)(CCH)(O)	C(CH3)(NCO)(H)	C(CHN)(H)3	N(CCHH)(CCH)(O)	125.2430	0.000	1	125.2430	0.000	1	125.2430	0.000	1	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:Br-1:H-1:H-1:	C-4:C-3:H-1:	C(CBrHH)(NCH)(O)	C(CNO)(Br)(H)2	N(CCHH)(CCO)(H)	C(CBrHH)(NCH)(O)	C(CNO)(Br)(H)2	N(CCHH)(CCO)(H)	115.6950	0.000	1	115.6950	0.000	1	115.6950	0.000	1	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:C-3:H-1:	C(CCl3)(NCH)(O)	C(CNO)(Cl)3	N(CCCH)(CCO)(H)	C(CCl3)(NCH)(O)	C(CNO)(Cl)3	N(CCCH)(CCO)(H)	115.0715	0.585	2	115.0715	0.342	2	115.0715	0.342	2	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:Cl-1:Cl-1:Cl-1:	P-4:C-3:H-1:	C(CCl3)(NHP)(O)	C(CNO)(Cl)3	N(PNNO)(CCO)(H)	C(CCl3)(NHP)(O)	C(CNO)(Cl)3	N(PNNO)(CCO)(H)	114.6370	1.048	5	114.6370	1.098	5	114.6575	0.881	6	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:Cl-1:Cl-1:Cl-1:	P-4:C-3:H-1:	C(CCl3)(NHP)(O)	C(CNO)(Cl)3	N(PO3)(CCO)(H)	C(CCl3)(NHP)(O)	C(CNO)(Cl)3	N(PO3)(CCO)(H)	114.7600	0.000	1	114.7600	0.000	1	114.6575	0.881	6	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:Cl-1:Cl-1:H-1:	P-4:C-3:H-1:	C(CCl2H)(NHP)(O)	C(CNO)(Cl)2(H)	N(PNNO)(CCO)(H)	C(CCl2H)(NHP)(O)	C(CNO)(Cl)2(H)	N(PNNO)(CCO)(H)	112.6300	0.543	2	112.6300	0.295	2	112.3887	0.322	3	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:Cl-1:Cl-1:H-1:	P-4:C-3:H-1:	C(CCl2H)(NHP)(O)	C(CNO)(Cl)2(H)	N(PN[6]2O)(CCO)(H)	C(CCl2H)(NHP)(O)	C(CNO)(Cl)2(H)	N(PN[6]2O)(CCO)(H)	111.9060	0.000	1	111.9060	0.000	1	112.3887	0.322	3	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:Cl-1:Cl-1:H-1:	S-4:C-3:H-1:	C(CCl2H)(NHS)(O)	C(CNO)(Cl)2(H)	N(SC[6a]OO)(CCO)(H)	C(CCl2H)(NHS)(O)	C(CNO)(Cl)2(H)	N(SC[6a]OO)(CCO)(H)	113.4610	0.192	3	113.4610	0.037	3	113.4610	0.037	3	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:Cl-1:F-1:F-1:	P-4:C-3:H-1:	C(CClFF)(NHP)(O)	C(CNO)(Cl)(F)2	N(PNNO)(CCO)(H)	C(CClFF)(NHP)(O)	C(CNO)(Cl)(F)2	N(PNNO)(CCO)(H)	114.9532	0.947	4	114.9532	0.896	4	114.9532	0.896	4	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:Cl-1:H-1:H-1:	C-4:C-3:H-1:	C(CClHH)(NCH)(O)	C(CNO)(Cl)(H)2	N(CCHH)(CCO)(H)	C(CClHH)(NCH)(O)	C(CNO)(Cl)(H)2	N(CCHH)(CCO)(H)	118.5170	2.254	8	118.5170	5.082	8	118.2785	5.199	11	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:Cl-1:H-1:H-1:	C-4:C-3:H-1:	C(CClHH)(NCH)(O)	C(CNO)(Cl)(H)2	N(CC[6a]HH)(CCO)(H)	C(CClHH)(NCH)(O)	C(CNO)(Cl)(H)2	N(CC[6a]HH)(CCO)(H)	114.5310	0.000	1	114.5310	0.000	1	118.2785	5.199	11	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:Cl-1:H-1:H-1:	C-4:C-3:H-1:	C(CClHH)(NCH)(O)	C(CNO)(Cl)(H)2	N(CH3)(CCO)(H)	C(CClHH)(NCH)(O)	C(CNO)(Cl)(H)2	N(CH3)(CCO)(H)	119.1980	0.477	2	119.1980	0.227	2	118.2785	5.199	11	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:Cl-1:H-1:H-1:	P-4:C-3:H-1:	C(CClHH)(NHP)(O)	C(CNO)(Cl)(H)2	N(PNNO)(CCO)(H)	C(CClHH)(NHP)(O)	C(CNO)(Cl)(H)2	N(PNNO)(CCO)(H)	112.4090	0.000	1	112.4090	0.000	1	112.4090	0.000	1	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:Cl-1:H-1:H-1:	S-4:C-3:H-1:	C(CClHH)(NHS)(O)	C(CNO)(Cl)(H)2	N(SC[6a]OO)(CCO)(H)	C(CClHH)(NHS)(O)	C(CNO)(Cl)(H)2	N(SC[6a]OO)(CCO)(H)	119.1050	0.000	1	119.1050	0.000	1	119.1050	0.000	1	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:F-1:F-1:F-1:	C-4:C-3:H-1:	C(CF3)(NCH)(O)	C(CNO)(F)3	N(CCCH)(CCO)(H)	C(CF3)(NCH)(O)	C(CNO)(F)3	N(CCCH)(CCO)(H)	115.4386	0.648	5	115.4386	0.420	5	114.8891	0.650	17	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:F-1:F-1:F-1:	C-4:C-3:H-1:	C(CF3)(NCH)(O)	C(CNO)(F)3	N(CCHH)(CCO)(H)	C(CF3)(NCH)(O)	C(CNO)(F)3	N(CCHH)(CCO)(H)	115.2250	0.180	3	115.2250	0.032	3	114.8891	0.650	17	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:F-1:F-1:F-1:	C-4:C-3:H-1:	C(CF3)(NCH)(O)	C(CNO)(F)3	N(CC[3x3,4,3x5,14x6]HH)(CCO)(H)	C(CF3)(NCH)(O)	C(CNO)(F)3	N(CC[3x3,4,3x5,14x6]HH)(CCO)(H)	114.1840	0.000	1	114.1840	0.000	1	114.8891	0.650	17	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:F-1:F-1:F-1:	C-4:C-3:H-1:	C(CF3)(NCH)(O)	C(CNO)(F)3	N(CC[5]C[6]H)(CCO)(H)	C(CF3)(NCH)(O)	C(CNO)(F)3	N(CC[5]C[6]H)(CCO)(H)	113.4340	0.000	1	113.4340	0.000	1	114.8891	0.650	17	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:F-1:F-1:F-1:	C-4:C-3:H-1:	C(CF3)(NCH)(O)	C(CNO)(F)3	N(CC[6a]CC)(CCO)(H)	C(CF3)(NCH)(O)	C(CNO)(F)3	N(CC[6a]CC)(CCO)(H)	113.7545	0.111	2	113.7545	0.012	2	114.8891	0.650	17	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:F-1:F-1:F-1:	C-4:C-3:H-1:	C(CF3)(NCH)(O)	C(CNO)(F)3	N(CC[6a]CH)(CCO)(H)	C(CF3)(NCH)(O)	C(CNO)(F)3	N(CC[6a]CH)(CCO)(H)	114.6080	0.000	1	114.6080	0.000	1	114.8891	0.650	17	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:F-1:F-1:F-1:	C-4:C-3:H-1:	C(CF3)(NCH)(O)	C(CNO)(F)3	N(CC[6a]C[5]H)(CCO)(H)	C(CF3)(NCH)(O)	C(CNO)(F)3	N(CC[6a]C[5]H)(CCO)(H)	115.5550	0.361	2	115.5550	0.130	2	114.8891	0.650	17	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:F-1:F-1:F-1:	C-4:C-3:H-1:	C(CF3)(NCH)(O)	C(CNO)(F)3	N(CC[6a]C[6]H)(CCO)(H)	C(CF3)(NCH)(O)	C(CNO)(F)3	N(CC[6a]C[6]H)(CCO)(H)	115.1670	0.000	1	115.1670	0.000	1	114.8891	0.650	17	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:F-1:F-1:F-1:	C-4:C-3:H-1:	C(CF3)(NCH)(O)	C(CNO)(F)3	N(CC[6a]HN)(CCO)(H)	C(CF3)(NCH)(O)	C(CNO)(F)3	N(CC[6a]HN)(CCO)(H)	114.2340	0.000	1	114.2340	0.000	1	114.8891	0.650	17	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:F-1:F-1:F-1:	P-4:C-3:H-1:	C(CF3)(NHP)(O)	C(CNO)(F)3	N(PNNO)(CCO)(H)	C(CF3)(NHP)(O)	C(CNO)(F)3	N(PNNO)(CCO)(H)	113.9770	0.929	2	113.9770	0.863	2	114.5213	1.321	3	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:F-1:F-1:F-1:	P-4:C-3:H-1:	C(CF3)(NHP)(O)	C(CNO)(F)3	N(PNOO)(CCO)(H)	C(CF3)(NHP)(O)	C(CNO)(F)3	N(PNOO)(CCO)(H)	115.6100	0.000	1	115.6100	0.000	1	114.5213	1.321	3	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:C-1:	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CH3)(CCO)(C)	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CH3)(CCO)(C)	89.0045	0.000	1	89.0045	0.000	1	89.0045	0.000	1	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC3)(CCO)(H)	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC3)(CCO)(H)	116.2365	1.033	11	116.2365	1.068	11	116.1685	1.089	243	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CCCH)(CCO)(H)	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CCCH)(CCO)(H)	116.1799	0.939	92	116.1799	0.882	92	116.1685	1.089	243	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CCCS)(CCO)(H)	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CCCS)(CCO)(H)	114.7860	0.000	1	114.7860	0.000	1	116.1685	1.089	243	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CCHH)(CCO)(H)	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CCHH)(CCO)(H)	116.4730	1.209	43	116.4730	1.461	43	116.1685	1.089	243	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CCPP)(CCO)(H)	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CCPP)(CCO)(H)	117.4170	0.000	1	117.4170	0.000	1	116.1685	1.089	243	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[3x6]CH)(CCO)(H)	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[3x6]CH)(CCO)(H)	116.1340	0.000	1	116.1340	0.000	1	116.1685	1.089	243	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[5,6]CH)(CCO)(H)	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[5,6]CH)(CCO)(H)	117.5680	1.090	2	117.5680	1.189	2	116.1685	1.089	243	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[5]CC)(CCO)(H)	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[5]CC)(CCO)(H)	115.7810	0.000	1	115.7810	0.000	1	116.1685	1.089	243	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[5]CH)(CCO)(H)	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[5]CH)(CCO)(H)	115.4478	0.589	5	115.4478	0.347	5	116.1685	1.089	243	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[5]HH)(CCO)(H)	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[5]HH)(CCO)(H)	116.1098	1.176	16	116.1098	1.384	16	116.1685	1.089	243	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[5a]C[6a]C)(CCO)(H)	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[5a]C[6a]C)(CCO)(H)	114.8900	0.000	1	114.8900	0.000	1	116.1685	1.089	243	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[5a]HH)(CCO)(H)	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[5a]HH)(CCO)(H)	115.8483	1.031	3	115.8483	1.064	3	116.1685	1.089	243	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[6]2H)(CCO)(H)	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[6]2H)(CCO)(H)	114.4340	0.000	1	114.4340	0.000	1	116.1685	1.089	243	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[6]CC)(CCO)(H)	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[6]CC)(CCO)(H)	115.8955	0.529	4	115.8955	0.279	4	116.1685	1.089	243	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[6]CH)(CCO)(H)	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[6]CH)(CCO)(H)	116.0307	0.675	3	116.0307	0.455	3	116.1685	1.089	243	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[6]HH)(CCO)(H)	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[6]HH)(CCO)(H)	115.8049	0.443	13	115.8049	0.196	13	116.1685	1.089	243	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[6a]2H)(CCO)(H)	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[6a]2H)(CCO)(H)	116.5776	0.551	9	116.5776	0.303	9	116.1685	1.089	243	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[6a]CH)(CCO)(H)	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[6a]CH)(CCO)(H)	116.2569	0.761	21	116.2569	0.579	21	116.1685	1.089	243	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[6a]C[5]H)(CCO)(H)	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[6a]C[5]H)(CCO)(H)	115.9007	0.779	3	115.9007	0.607	3	116.1685	1.089	243	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[6a]HH)(CCO)(H)	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CC[6a]HH)(CCO)(H)	116.2254	0.401	8	116.2254	0.160	8	116.1685	1.089	243	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CH3)(CCO)(H)	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CH3)(CCO)(H)	111.8005	1.138	2	111.8005	1.294	2	116.1685	1.089	243	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CHHN)(CCO)(H)	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CHHN)(CCO)(H)	116.7485	1.445	2	116.7485	2.087	2	116.1685	1.089	243	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	S-4:C-3:H-1:	C(CH3)(NHS)(O)	C(CNO)(H)3	N(SC[6a]OO)(CCO)(H)	C(CH3)(NHS)(O)	C(CNO)(H)3	N(SC[6a]OO)(CCO)(H)	114.9762	0.737	16	114.9762	0.544	16	114.8699	0.702	17	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	S-4:C-3:H-1:	C(CH3)(NHS)(O)	C(CNO)(H)3	N(SO3)(CCO)(H)	C(CH3)(NHS)(O)	C(CNO)(H)3	N(SO3)(CCO)(H)	113.1690	0.000	1	113.1690	0.000	1	114.8699	0.702	17	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:I-1:	C-4:C-3:H-1:	C(CHHI)(NCH)(O)	C(CNO)(H)2(I)	N(CCHH)(CCO)(H)	C(CHHI)(NCH)(O)	C(CNO)(H)2(I)	N(CCHH)(CCO)(H)	115.7670	0.000	1	115.7670	0.000	1	115.7670	0.000	1	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:S-1:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(S)	C(CNS)(H)3	N(CCHH)(CCS)(H)	C(CH3)(NCH)(S)	C(CNS)(H)3	N(CCHH)(CCS)(H)	114.6620	0.000	1	114.6620	0.000	1	114.7467	0.074	3	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:S-1:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(S)	C(CNS)(H)3	N(CC[3x6]CH)(CCS)(H)	C(CH3)(NCH)(S)	C(CNS)(H)3	N(CC[3x6]CH)(CCS)(H)	114.5270	0.000	1	114.5270	0.000	1	114.7467	0.074	3	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:S-1:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(S)	C(CNS)(H)3	N(CC[6a]HH)(CCS)(H)	C(CH3)(NCH)(S)	C(CNS)(H)3	N(CC[6a]HH)(CCS)(H)	115.0510	0.000	1	115.0510	0.000	1	114.7467	0.074	3	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:S-1:	C-3:H-1:H-1:H-1:	S-4:C-3:H-1:	C(CH3)(NHS)(S)	C(CNS)(H)3	N(SO3)(CCS)(H)	C(CH3)(NHS)(S)	C(CNS)(H)3	N(SO3)(CCS)(H)	117.6110	0.000	1	117.6110	0.000	1	117.6110	0.000	1	115.9097	4.463	321	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:2:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:N-2:	C(CH3)(NCN)(O)	C(CNO)(H)3	N(CCHH)(CCO)(NC)	C(CH3)(NCN)(O)	C(CNO)(H)3	N(CCHH)(CCO)(NC)	117.0710	0.175	3	117.0710	0.031	3	117.0710	0.031	3	117.3720	0.216	5	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:2:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:O-2:	C(CH3)(NCO)(O)	C(CNO)(H)3	N(CCHH)(CCO)(OH)	C(CH3)(NCO)(O)	C(CNO)(H)3	N(CCHH)(CCO)(OH)	117.8235	0.351	2	117.8235	0.124	2	117.8235	0.124	2	117.3720	0.216	5	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:C-3:	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CCCH)(CCH)(CCO)	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CCCH)(CCH)(CCO)	117.2380	0.000	1	117.2380	0.000	1	118.6234	2.244	33	118.4480	2.080	39	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:C-3:	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CCCH)(CCO)(COO)	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CCCH)(CCO)(COO)	119.2660	0.000	1	119.2660	0.000	1	118.6234	2.244	33	118.4480	2.080	39	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:C-3:	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CCHH)(CCO)2	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CCHH)(CCO)2	118.5979	1.651	13	118.5979	2.727	13	118.6234	2.244	33	118.4480	2.080	39	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:C-3:	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[5]HH)(CCO)(COO)	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[5]HH)(CCO)(COO)	120.8010	0.000	1	120.8010	0.000	1	118.6234	2.244	33	118.4480	2.080	39	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:C-3:	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[6a]CC)(CC[6a]O)(CCO)	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[6a]CC)(CC[6a]O)(CCO)	119.6450	0.000	1	119.6450	0.000	1	118.6234	2.244	33	118.4480	2.080	39	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:C-3:	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[6a]CH)(CC[6a]C)(CCO)	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[6a]CH)(CC[6a]C)(CCO)	116.6650	0.000	1	116.6650	0.000	1	118.6234	2.244	33	118.4480	2.080	39	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:C-3:	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[6a]HH)(CCC)(CCO)	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[6a]HH)(CCC)(CCO)	118.0550	0.000	1	118.0550	0.000	1	118.6234	2.244	33	118.4480	2.080	39	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:C-3:	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[6a]HH)(CCO)2	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[6a]HH)(CCO)2	118.7945	1.868	8	118.7945	3.488	8	118.6234	2.244	33	118.4480	2.080	39	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:C-3:	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[6a]HH)(CC[6a]C)(CCO)	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[6a]HH)(CC[6a]C)(CCO)	118.3684	0.659	5	118.3684	0.435	5	118.6234	2.244	33	118.4480	2.080	39	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:C-3:	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CH3)(CCN)(CCO)	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CH3)(CCN)(CCO)	118.9310	0.000	1	118.9310	0.000	1	118.6234	2.244	33	118.4480	2.080	39	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:N-3:	C(CH3)(NCN)(O)	C(CNO)(H)3	N(CCHH)(CCO)(NCH)	C(CH3)(NCN)(O)	C(CNO)(H)3	N(CCHH)(CCO)(NCH)	117.5245	0.422	4	117.5245	0.178	4	117.4835	0.125	6	118.4480	2.080	39	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:N-3:	C(CH3)(NCN)(O)	C(CNO)(H)3	N(CC[5a]HO)(CCO)(NCH)	C(CH3)(NCN)(O)	C(CNO)(H)3	N(CC[5a]HO)(CCO)(NCH)	117.2110	0.000	1	117.2110	0.000	1	117.4835	0.125	6	118.4480	2.080	39	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:N-3:	C(CH3)(NCN)(O)	C(CNO)(H)3	N(CH3)(CCO)(NCH)	C(CH3)(NCN)(O)	C(CNO)(H)3	N(CH3)(CCO)(NCH)	117.5920	0.000	1	117.5920	0.000	1	117.4835	0.125	6	118.4480	2.080	39	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:Br-1:H-1:H-1:	C-4:C-4:C-3:	C(CBrHH)(NCC)(O)	C(CNO)(Br)(H)2	N(CCHH)2(CCO)	C(CBrHH)(NCC)(O)	C(CNO)(Br)(H)2	N(CCHH)2(CCO)	120.1720	0.000	1	120.1720	0.000	1	120.1720	0.000	1	117.5679	21.719	213	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:C-4:C-3:	C(CCl3)(NCC)(O)	C(CNO)(Cl)3	N(CC[6a]HH)(CCCH)(CCO)	C(CCl3)(NCC)(O)	C(CNO)(Cl)3	N(CC[6a]HH)(CCCH)(CCO)	119.2110	1.072	2	119.2110	1.149	2	119.2110	1.149	2	117.5679	21.719	213	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:Cl-1:Cl-1:H-1:	C-4:C-4:C-3:	C(CCl2H)(NCC)(O)	C(CNO)(Cl)2(H)	N(CC[6a]2H)(CCHH)(CCO)	C(CCl2H)(NCC)(O)	C(CNO)(Cl)2(H)	N(CC[6a]2H)(CCHH)(CCO)	116.4850	0.000	1	116.4850	0.000	1	116.4850	0.000	1	117.5679	21.719	213	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:Cl-1:H-1:H-1:	C-4:C-4:C-3:	C(CClHH)(NCC)(O)	C(CNO)(Cl)(H)2	N(CCHH)(CH3)(CCO)	C(CClHH)(NCC)(O)	C(CNO)(Cl)(H)2	N(CCHH)(CH3)(CCO)	115.1240	0.000	1	115.1240	0.000	1	115.1240	0.000	1	117.5679	21.719	213	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:F-1:F-1:F-1:	C-4:C-4:C-3:	C(CF3)(NCC)(O)	C(CNO)(F)3	N(CCCH)(CH3)(CCO)	C(CF3)(NCC)(O)	C(CNO)(F)3	N(CCCH)(CH3)(CCO)	117.7360	0.000	1	117.7360	0.000	1	117.8870	0.133	12	117.5679	21.719	213	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:F-1:F-1:F-1:	C-4:C-4:C-3:	C(CF3)(NCC)(O)	C(CNO)(F)3	N(CC[5]HH)(CCHH)(CCO)	C(CF3)(NCC)(O)	C(CNO)(F)3	N(CC[5]HH)(CCHH)(CCO)	117.5240	0.000	1	117.5240	0.000	1	117.8870	0.133	12	117.5679	21.719	213	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:F-1:F-1:F-1:	C-4:C-4:C-3:	C(CF3)(NCC)(O)	C(CNO)(F)3	N(CC[6a]2H)(CCHH)(CCO)	C(CF3)(NCC)(O)	C(CNO)(F)3	N(CC[6a]2H)(CCHH)(CCO)	117.9465	0.390	2	117.9465	0.152	2	117.8870	0.133	12	117.5679	21.719	213	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:F-1:F-1:F-1:	C-4:C-4:C-3:	C(CF3)(NCC)(O)	C(CNO)(F)3	N(CC[6a]CH)(CCHH)(CCO)	C(CF3)(NCC)(O)	C(CNO)(F)3	N(CC[6a]CH)(CCHH)(CCO)	117.7840	0.432	5	117.7840	0.187	5	117.8870	0.133	12	117.5679	21.719	213	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:F-1:F-1:F-1:	C-4:C-4:C-3:	C(CF3)(NCC)(O)	C(CNO)(F)3	N(CC[6a]CH)(CC[6a]HH)(CCO)	C(CF3)(NCC)(O)	C(CNO)(F)3	N(CC[6a]CH)(CC[6a]HH)(CCO)	118.2950	0.088	2	118.2950	0.008	2	117.8870	0.133	12	117.5679	21.719	213	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:F-1:F-1:F-1:	C-4:C-4:C-3:	C(CF3)(NCC)(O)	C(CNO)(F)3	N(CC[6a]HH)(CCHH)(CCO)	C(CF3)(NCC)(O)	C(CNO)(F)3	N(CC[6a]HH)(CCHH)(CCO)	117.9810	0.000	1	117.9810	0.000	1	117.8870	0.133	12	117.5679	21.719	213	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:F-1:F-1:H-1:	C-4:C-4:C-3:	C(CFFH)(NCC)(O)	C(CNO)(F)2(H)	N(CC[6a]2H)(CCHH)(CCO)	C(CFFH)(NCC)(O)	C(CNO)(F)2(H)	N(CC[6a]2H)(CCHH)(CCO)	117.7415	1.440	2	117.7415	2.075	2	116.9814	1.678	5	117.5679	21.719	213	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:F-1:F-1:H-1:	C-4:C-4:C-3:	C(CFFH)(NCC)(O)	C(CNO)(F)2(H)	N(CC[6a]CH)(CCHH)(CCO)	C(CFFH)(NCC)(O)	C(CNO)(F)2(H)	N(CC[6a]CH)(CCHH)(CCO)	116.4747	1.164	3	116.4747	1.355	3	116.9814	1.678	5	117.5679	21.719	213	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CCCH)(CCHH)(CCO)	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CCCH)(CCHH)(CCO)	117.8815	0.439	2	117.8815	0.193	2	117.5560	24.320	189	117.5679	21.719	213	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CCHH)(CC3)(CCO)	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CCHH)(CC3)(CCO)	118.2918	0.308	4	118.2918	0.095	4	117.5560	24.320	189	117.5679	21.719	213	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CCHH)2(CCO)	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CCHH)2(CCO)	118.0609	0.506	12	118.0609	0.256	12	117.5560	24.320	189	117.5679	21.719	213	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[5]CH)(CCHH)(CCO)	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[5]CH)(CCHH)(CCO)	117.5900	0.000	1	117.5900	0.000	1	117.5560	24.320	189	117.5679	21.719	213	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[5]CH)(CH3)(CCO)	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[5]CH)(CH3)(CCO)	118.1260	0.000	1	118.1260	0.000	1	117.5560	24.320	189	117.5679	21.719	213	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[5]HH)(CCHH)(CCO)	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[5]HH)(CCHH)(CCO)	118.7068	0.976	6	118.7068	0.953	6	117.5560	24.320	189	117.5679	21.719	213	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[5a]CH)(CCHH)(CCO)	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[5a]CH)(CCHH)(CCO)	118.8030	0.000	1	118.8030	0.000	1	117.5560	24.320	189	117.5679	21.719	213	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[6]CH)(CCHH)(CCO)	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[6]CH)(CCHH)(CCO)	118.7710	0.148	2	118.7710	0.022	2	117.5560	24.320	189	117.5679	21.719	213	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[6]HH)2(CCO)	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[6]HH)2(CCO)	118.7340	0.000	1	118.7340	0.000	1	117.5560	24.320	189	117.5679	21.719	213	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[6a]2H)(CCHH)(CCO)	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[6a]2H)(CCHH)(CCO)	118.4527	0.793	3	118.4527	0.629	3	117.5560	24.320	189	117.5679	21.719	213	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[6a]CH)(CCCH)(CCO)	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[6a]CH)(CCCH)(CCO)	120.6440	0.000	1	120.6440	0.000	1	117.5560	24.320	189	117.5679	21.719	213	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[6a]CH)(CCHH)(CCO)	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[6a]CH)(CCHH)(CCO)	118.3662	1.020	6	118.3662	1.040	6	117.5560	24.320	189	117.5679	21.719	213	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[6a]HH)(CCHH)(CCO)	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[6a]HH)(CCHH)(CCO)	117.7170	0.492	2	117.7170	0.242	2	117.5560	24.320	189	117.5679	21.719	213	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[6a]HH)2(CCO)	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC[6a]HH)2(CCO)	117.5910	0.000	1	117.5910	0.000	1	117.5560	24.320	189	117.5679	21.719	213	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CH3)2(CCO)	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CH3)2(CCO)	117.3390	5.598	145	117.3390	31.337	145	117.5560	24.320	189	117.5679	21.719	213	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CSeHH)2(CCO)	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CSeHH)2(CCO)	116.0070	0.000	1	116.0070	0.000	1	117.5560	24.320	189	117.5679	21.719	213	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:1:1:1:	4:4:3:	C-4:N-3:S-1:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(S)	C(CNS)(H)3	N(CC[6a]CH)(CCHH)(CCS)	C(CH3)(NCC)(S)	C(CNS)(H)3	N(CC[6a]CH)(CCHH)(CCS)	117.0630	0.485	2	117.0630	0.235	2	117.0630	0.235	2	117.5679	21.719	213	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:2:1:1:	2:3:1:	C-4:N-3:O-1:	C-3:C-2:H-1:H-1:	N-2:C-3:H-1:	C(CCHH)(NHN)(O)	C(CNO)(CN)(H)2	N(NC[6])(CCO)(H)	C(CCHH)(NHN)(O)	C(CNO)(CN)(H)2	N(NC[6])(CCO)(H)	115.9770	0.000	1	115.9770	0.000	1	115.9770	0.000	1	115.9770	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:2:1:1:	3:1:1:	C-4:N-3:O-1:	C-3:N-2:H-1:H-1:	C-3:H-1:H-1:	C(CHHN)(NHH)(O)	C(CNO)(NN)(H)2	N(CCO)(H)2	C(CHHN)(NHH)(O)	C(CNO)(NN)(H)2	N(CCO)(H)2	118.3970	0.000	1	118.3970	0.000	1	118.3970	0.000	1	117.3301	5.319	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:2:1:1:	3:1:1:	C-4:N-3:O-1:	C-3:O-2:H-1:H-1:	C-3:H-1:H-1:	C(CHHO)(NHH)(O)	C(CNO)(OC)(H)2	N(CCO)(H)2	C(CHHO)(NHH)(O)	C(CNO)(OC)(H)2	N(CCO)(H)2	117.1777	2.447	7	117.1777	5.988	7	117.1777	5.988	7	117.3301	5.319	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:2:1:1:	3:2:1:	C-4:N-3:O-1:	C-3:C-2:H-1:H-1:	C-3:N-2:H-1:	C(CCHH)(NHN)(O)	C(CNO)(CN)(H)2	N(CCO)(NC)(H)	C(CCHH)(NHN)(O)	C(CNO)(CN)(H)2	N(CCO)(NC)(H)	114.8438	1.948	13	114.8438	3.795	13	114.8438	3.795	13	115.4608	4.798	16	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:2:1:1:	3:2:1:	C-4:N-3:O-1:	C-3:S-2:H-1:H-1:	C-3:N-2:H-1:	C(CHHS)(NHN)(O)	C(CNO)(SC)(H)2	N(CCO)(NC)(H)	C(CHHS)(NHN)(O)	C(CNO)(SC)(H)2	N(CCO)(NC)(H)	118.1347	0.129	3	118.1347	0.017	3	118.1347	0.017	3	115.4608	4.798	16	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:2:1:1:	3:3:1:	C-4:N-3:O-1:	C-3:O-2:H-1:H-1:	C-3:N-3:H-1:	C(CHHO)(NHN)(O)	C(CNO)(ON)(H)2	N(CCO)(NCC)(H)	C(CHHO)(NHN)(O)	C(CNO)(ON)(H)2	N(CCO)(NCC)(H)	115.6043	0.321	3	115.6043	0.103	3	115.6043	0.103	3	115.6043	0.103	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:2:1:1:	3:4:3:	C-4:N-3:H-1:	C-3:O-2:H-1:H-1:	C-3:C-4:C-3:	C(CHHO)(NCC)(H)	C(CHN)(OH)(H)2	N(CC[6a]O)(CCHH)(CCH)	C(CHHO)(NCC)(H)	C(CHN)(OH)(H)2	N(CC[6a]O)(CCHH)(CCH)	120.9400	0.000	1	120.9400	0.000	1	120.9400	0.000	1	120.9400	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:2:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:C-2:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CNO)(CN)(H)2	N(CC[5a]HH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CNO)(CN)(H)2	N(CC[5a]HH)(CCO)(H)	115.9090	0.000	1	115.9090	0.000	1	115.6870	0.099	2	115.9918	0.391	13	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:2:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:C-2:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CNO)(CN)(H)2	N(CC[6a]CH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CNO)(CN)(H)2	N(CC[6a]CH)(CCO)(H)	115.4650	0.000	1	115.4650	0.000	1	115.6870	0.099	2	115.9918	0.391	13	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:2:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:N-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(CNO)(NH)(H)2	N(CC[6a]CC)(CCO)(H)	C(CHHN)(NCH)(O)	C(CNO)(NH)(H)2	N(CC[6a]CC)(CCO)(H)	115.4530	0.000	1	115.4530	0.000	1	116.4223	0.705	3	115.9918	0.391	13	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:2:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:N-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(CNO)(NS)(H)2	N(CCCH)(CCO)(H)	C(CHHN)(NCH)(O)	C(CNO)(NS)(H)2	N(CCCH)(CCO)(H)	116.9070	0.000	2	116.9070	0.000	2	116.4223	0.705	3	115.9918	0.391	13	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:2:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(NCH)(O)	C(CNO)(OC)(H)2	N(CCCH)(CCO)(H)	C(CHHO)(NCH)(O)	C(CNO)(OC)(H)2	N(CCCH)(CCO)(H)	115.4970	0.461	4	115.4970	0.212	4	115.9065	0.341	8	115.9918	0.391	13	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:2:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(NCH)(O)	C(CNO)(OC)(H)2	N(CCHH)(CCO)(H)	C(CHHO)(NCH)(O)	C(CNO)(OC)(H)2	N(CCHH)(CCO)(H)	116.4483	0.316	3	116.4483	0.100	3	115.9065	0.341	8	115.9918	0.391	13	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:2:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:O-2:H-1:H-1:	C-4:C-3:H-1:	C(CHHO)(NCH)(O)	C(CNO)(ON)(H)2	N(CCCH)(CCO)(H)	C(CHHO)(NCH)(O)	C(CNO)(ON)(H)2	N(CCCH)(CCO)(H)	115.9190	0.000	1	115.9190	0.000	1	115.9065	0.341	8	115.9918	0.391	13	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:2:1:1:	4:3:3:	C-4:N-3:O-1:	C-3:O-2:H-1:H-1:	S-4:C-3:C-3:	C(CHHO)(NCS)(O)	C(CNO)(OC)(H)2	N(SC[6a]OO)(CC[6a]C)(CCO)	C(CHHO)(NCS)(O)	C(CNO)(OC)(H)2	N(SC[6a]OO)(CC[6a]C)(CCO)	114.3770	0.110	2	114.3770	0.012	2	114.3770	0.012	2	114.3770	0.012	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:2:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:C-2:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	C(CNO)(CN)(H)2	N(CH3)2(CCO)	C(CCHH)(NCC)(O)	C(CNO)(CN)(H)2	N(CH3)2(CCO)	117.9230	0.000	1	117.9230	0.000	1	117.9230	0.000	1	117.0507	0.871	12	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:2:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:O-2:H-1:H-1:	C-4:C-4:C-3:	C(CHHO)(NCC)(O)	C(CNO)(OC)(H)2	N(CCHH)2(CCO)	C(CHHO)(NCC)(O)	C(CNO)(OC)(H)2	N(CCHH)2(CCO)	117.4968	0.855	4	117.4968	0.731	4	116.9715	0.875	11	117.0507	0.871	12	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:2:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:O-2:H-1:H-1:	C-4:C-4:C-3:	C(CHHO)(NCC)(O)	C(CNO)(OC)(H)2	N(CC[6a]HH)(CCHH)(CCO)	C(CHHO)(NCC)(O)	C(CNO)(OC)(H)2	N(CC[6a]HH)(CCHH)(CCO)	116.8763	0.782	6	116.8763	0.612	6	116.9715	0.875	11	117.0507	0.871	12	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:2:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:O-2:H-1:H-1:	C-4:C-4:C-3:	C(CHHO)(NCC)(O)	C(CNO)(OC)(H)2	N(CH3)2(CCO)	C(CHHO)(NCC)(O)	C(CNO)(OC)(H)2	N(CH3)2(CCO)	115.4410	0.000	1	115.4410	0.000	1	116.9715	0.875	11	117.0507	0.871	12	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:2:2:1:	4:3:1:	C-4:N-3:O-1:	C-3:C-2:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(NCH)(O)	C(CNO)(CN)(OH)(H)	N(CH3)(CCO)(H)	C(CCHO)(NCH)(O)	C(CNO)(CN)(OH)(H)	N(CH3)(CCO)(H)	115.7010	0.000	1	115.7010	0.000	1	115.7010	0.000	1	115.7010	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:2:3:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:O-2:C-3:H-1:	C-4:C-3:H-1:	C(CC[6a]HO)(NCH)(O)	C(C[6a]C[6a]2)(OC[6a])(CNO)(H)	N(CCHH)(CCO)(H)	C(CC[6a]HO)(NCH)(O)	C(C[6a]C[6a]2)(OC[6a])(CNO)(H)	N(CCHH)(CCO)(H)	116.3390	0.000	1	116.3390	0.000	1	115.9360	0.325	2	115.9360	0.325	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:2:3:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:O-2:C-3:H-1:	C-4:C-3:H-1:	C(CC[6a]HO)(NCH)(O)	C(C[6a]C[6a]2)(OC[6a])(CNO)(H)	N(CC[6a]HH)(CCO)(H)	C(CC[6a]HO)(NCH)(O)	C(C[6a]C[6a]2)(OC[6a])(CNO)(H)	N(CC[6a]HH)(CCO)(H)	115.5330	0.000	1	115.5330	0.000	1	115.9360	0.325	2	115.9360	0.325	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:1:1:	C-4:N-3:O-1:	C-3:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)(O)	C(CNO)2(H)2	N(CCO)(H)2	C(CCHH)(NHH)(O)	C(CNO)2(H)2	N(CCO)(H)2	116.5355	0.687	2	116.5355	0.471	2	116.5355	0.471	2	115.5993	3.175	124	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:1:1:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-3:H-1:H-1:	C(CHHN)(NHH)(O)	C(CNO)(NCC)(H)2	N(CCO)(H)2	C(CHHN)(NHH)(O)	C(CNO)(NCC)(H)2	N(CCO)(H)2	116.2960	1.270	35	116.2960	1.614	35	116.2941	1.896	52	115.5993	3.175	124	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:1:1:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-3:H-1:H-1:	C(CHHN)(NHH)(O)	C(CNO)(NCH)(H)2	N(CCO)(H)2	C(CHHN)(NHH)(O)	C(CNO)(NCH)(H)2	N(CCO)(H)2	116.1586	1.505	14	116.1586	2.266	14	116.2941	1.896	52	115.5993	3.175	124	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:1:1:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-3:H-1:H-1:	C(CHHN)(NHH)(O)	C(CNO)(NCN)(H)2	N(CCO)(H)2	C(CHHN)(NHH)(O)	C(CNO)(NCN)(H)2	N(CCO)(H)2	116.9030	2.345	3	116.9030	5.501	3	116.2941	1.896	52	115.5993	3.175	124	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:1:1:	C-4:N-3:O-1:	C-3:S-3:H-1:H-1:	C-3:H-1:H-1:	C(CHHS)(NHH)(O)	C(CNO)(SCO)(H)2	N(CCO)(H)2	C(CHHS)(NHH)(O)	C(CNO)(SCO)(H)2	N(CCO)(H)2	115.4573	1.041	7	115.4573	1.083	7	115.4573	1.083	7	115.5993	3.175	124	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:1:1:	C-4:N-3:O-1:	C[5a]-3:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CC[5a]HH)(NHH)(O)	C(C[5a]N[5a]O[5a])(CNO)(H)2	N(CCO)(H)2	C(CC[5a]HH)(NHH)(O)	C(C[5a]N[5a]O[5a])(CNO)(H)2	N(CCO)(H)2	116.1520	0.000	1	116.1520	0.000	1	116.1520	0.000	1	115.5993	3.175	124	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:1:1:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CC[6a]HH)(NHH)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CCO)(H)2	C(CC[6a]HH)(NHH)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CCO)(H)2	116.1176	1.033	9	116.1176	1.066	9	116.1176	1.066	9	115.5993	3.175	124	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:1:1:	C-4:N-3:O-1:	N-3:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CHHN)(NHH)(O)	C(NC[6a]C)(CNO)(H)2	N(CCO)(H)2	C(CHHN)(NHH)(O)	C(NC[6a]C)(CNO)(H)2	N(CCO)(H)2	114.7190	0.194	2	114.7190	0.038	2	116.5907	10.528	3	115.5993	3.175	124	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:1:1:	C-4:N-3:O-1:	N-3:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CHHN)(NHH)(O)	C(NC[6a]H)(CNO)(H)2	N(CCO)(H)2	C(CHHN)(NHH)(O)	C(NC[6a]H)(CNO)(H)2	N(CCO)(H)2	120.3340	0.000	1	120.3340	0.000	1	116.5907	10.528	3	115.5993	3.175	124	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:1:1:	C-4:N-3:O-1:	N[4]-3:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CN[4]HH)(NHH)(O)	C(N[4]C[4]2)(CNO)(H)2	N(CCO)(H)2	C(CN[4]HH)(NHH)(O)	C(N[4]C[4]2)(CNO)(H)2	N(CCO)(H)2	116.3090	0.000	1	116.3090	0.000	1	116.3090	0.000	1	115.5993	3.175	124	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:1:1:	C-4:N-3:O-1:	N[5]-3:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CN[5]HH)(NHH)(O)	C(N[5]C[5,6a]C[5])(CNO)(H)2	N(CCO)(H)2	C(CN[5]HH)(NHH)(O)	C(N[5]C[5,6a]C[5])(CNO)(H)2	N(CCO)(H)2	118.4950	1.032	3	118.4950	1.065	3	115.0513	5.334	28	115.5993	3.175	124	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:1:1:	C-4:N-3:O-1:	N[5]-3:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CN[5]HH)(NHH)(O)	C(N[5]C[5]2)(CNO)(H)2	N(CCO)(H)2	C(CN[5]HH)(NHH)(O)	C(N[5]C[5]2)(CNO)(H)2	N(CCO)(H)2	114.6380	2.062	25	114.6380	4.251	25	115.0513	5.334	28	115.5993	3.175	124	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:1:1:	C-4:N-3:O-1:	N[6]-3:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CN[6]HH)(NHH)(O)	C(N[6]C[6,6a]C[6])(CNO)(H)2	N(CCO)(H)2	C(CN[6]HH)(NHH)(O)	C(N[6]C[6,6a]C[6])(CNO)(H)2	N(CCO)(H)2	114.8040	0.000	1	114.8040	0.000	1	114.0610	1.279	20	115.5993	3.175	124	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:1:1:	C-4:N-3:O-1:	N[6]-3:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CN[6]HH)(NHH)(O)	C(N[6]C[6]2)(CNO)(H)2	N(CCO)(H)2	C(CN[6]HH)(NHH)(O)	C(N[6]C[6]2)(CNO)(H)2	N(CCO)(H)2	114.0218	1.148	19	114.0218	1.317	19	114.0610	1.279	20	115.5993	3.175	124	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:1:1:	C-4:N-3:O-1:	N[6a]-3:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CN[6a]HH)(NHH)(O)	C(N[6a]C[6a]2)(CNO)(H)2	N(CCO)(H)2	C(CN[6a]HH)(NHH)(O)	C(N[6a]C[6a]2)(CNO)(H)2	N(CCO)(H)2	115.8010	0.000	1	115.8010	0.000	1	115.8010	0.000	1	115.5993	3.175	124	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:2:1:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-3:N-2:H-1:	C(CHHN)(NHN)(O)	C(CNO)(NCH)(H)2	N(CCO)(NC)(H)	C(CHHN)(NHN)(O)	C(CNO)(NCH)(H)2	N(CCO)(NC)(H)	116.0860	0.000	1	116.0860	0.000	1	116.2168	0.614	12	116.2678	2.545	57	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:2:1:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-3:N-2:H-1:	C(CHHN)(NHN)(O)	C(CNO)(NHS)(H)2	N(CCO)(NC)(H)	C(CHHN)(NHN)(O)	C(CNO)(NHS)(H)2	N(CCO)(NC)(H)	116.2287	0.821	11	116.2287	0.673	11	116.2168	0.614	12	116.2678	2.545	57	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:2:1:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-3:O-2:H-1:	C(CHHN)(NHO)(O)	C(CNO)(NCN)(H)2	N(CCO)(OC)(H)	C(CHHN)(NHO)(O)	C(CNO)(NCN)(H)2	N(CCO)(OC)(H)	115.3190	0.333	3	115.3190	0.111	3	115.3190	0.111	3	116.2678	2.545	57	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:2:1:	C-4:N-3:O-1:	C[5a]-3:C-3:H-1:H-1:	C-3:N-2:H-1:	C(CC[5a]HH)(NHN)(O)	C(C[5a]C[5a,6a]C[5a])(CNO)(H)2	N(CCO)(NC)(H)	C(CC[5a]HH)(NHN)(O)	C(C[5a]C[5a,6a]C[5a])(CNO)(H)2	N(CCO)(NC)(H)	116.5237	2.227	9	116.5237	4.960	9	116.5171	4.392	12	116.2678	2.545	57	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:2:1:	C-4:N-3:O-1:	C[5a]-3:C-3:H-1:H-1:	C-3:N-2:H-1:	C(CC[5a]HH)(NHN)(O)	C(C[5a]C[5a]2)(CNO)(H)2	N(CCO)(NC)(H)	C(CC[5a]HH)(NHN)(O)	C(C[5a]C[5a]2)(CNO)(H)2	N(CCO)(NC)(H)	117.9290	0.000	1	117.9290	0.000	1	116.5171	4.392	12	116.2678	2.545	57	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:2:1:	C-4:N-3:O-1:	C[5a]-3:C-3:H-1:H-1:	C-3:N-2:H-1:	C(CC[5a]HH)(NHN)(O)	C(C[5a]C[5a]N[5a])(CNO)(H)2	N(CCO)(NC)(H)	C(CC[5a]HH)(NHN)(O)	C(C[5a]C[5a]N[5a])(CNO)(H)2	N(CCO)(NC)(H)	114.1150	0.000	1	114.1150	0.000	1	116.5171	4.392	12	116.2678	2.545	57	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:2:1:	C-4:N-3:O-1:	C[5a]-3:C-3:H-1:H-1:	C-3:N-2:H-1:	C(CC[5a]HH)(NHN)(O)	C(C[5a]N[5a,5a]C[5a])(CNO)(H)2	N(CCO)(NC)(H)	C(CC[5a]HH)(NHN)(O)	C(C[5a]N[5a,5a]C[5a])(CNO)(H)2	N(CCO)(NC)(H)	117.4480	0.000	1	117.4480	0.000	1	116.5171	4.392	12	116.2678	2.545	57	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:2:1:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C-3:N-2:H-1:	C(CC[6a]HH)(NHN)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CCO)(NC)(H)	C(CC[6a]HH)(NHN)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CCO)(NC)(H)	117.0067	1.067	16	117.0067	1.139	16	116.8555	1.457	17	116.2678	2.545	57	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:2:1:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C-3:N-2:H-1:	C(CC[6a]HH)(NHN)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CCO)(NH)(H)	C(CC[6a]HH)(NHN)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CCO)(NH)(H)	114.4360	0.000	1	114.4360	0.000	1	116.8555	1.457	17	116.2678	2.545	57	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:2:1:	C-4:N-3:O-1:	N-3:C-3:H-1:H-1:	C-3:N-2:H-1:	C(CHHN)(NHN)(O)	C(NC[6a]H)(CNO)(H)2	N(CCO)(NC)(H)	C(CHHN)(NHN)(O)	C(NC[6a]H)(CNO)(H)2	N(CCO)(NC)(H)	117.8110	0.000	1	117.8110	0.000	1	117.8110	0.000	1	116.2678	2.545	57	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:2:1:	C-4:N-3:O-1:	N[5a]-3:C-3:H-1:H-1:	C-3:N-2:H-1:	C(CN[5a]HH)(NHN)(O)	C(N[5a]C[5a,6a]N[5a])(CNO)(H)2	N(CCO)(NC)(H)	C(CN[5a]HH)(NHN)(O)	C(N[5a]C[5a,6a]N[5a])(CNO)(H)2	N(CCO)(NC)(H)	114.0490	1.099	3	114.0490	1.209	3	115.3453	3.815	12	116.2678	2.545	57	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:2:1:	C-4:N-3:O-1:	N[5a]-3:C-3:H-1:H-1:	C-3:N-2:H-1:	C(CN[5a]HH)(NHN)(O)	C(N[5a]C[5a]2)(CNO)(H)2	N(CCO)(NC)(H)	C(CN[5a]HH)(NHN)(O)	C(N[5a]C[5a]2)(CNO)(H)2	N(CCO)(NC)(H)	116.3465	1.459	6	116.3465	2.128	6	115.3453	3.815	12	116.2678	2.545	57	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:2:1:	C-4:N-3:O-1:	N[5a]-3:C-3:H-1:H-1:	C-3:N-2:H-1:	C(CN[5a]HH)(NHN)(O)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N(CCO)(NC)(H)	C(CN[5a]HH)(NHN)(O)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N(CCO)(NC)(H)	114.6393	2.860	3	114.6393	8.177	3	115.3453	3.815	12	116.2678	2.545	57	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:H-1:	C-3:N-3:H-1:H-1:	C-3:C-3:H-1:	C(CHHN)(NCH)(H)	C(CHN)(NCC)(H)2	N(CCH)(CNS)(H)	C(CHHN)(NCH)(H)	C(CHN)(NCC)(H)2	N(CCH)(CNS)(H)	111.9510	0.000	1	111.9510	0.000	1	111.9510	0.000	1	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C-3:C-3:H-1:H-1:	C-3:C-3:H-1:	C(CCHH)(NCH)(O)	C(CCO)(CNO)(H)2	N(CCO)(COO)(H)	C(CCHH)(NCH)(O)	C(CCO)(CNO)(H)2	N(CCO)(COO)(H)	119.5100	0.000	1	119.5100	0.000	1	119.5100	0.000	1	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C-3:C-3:H-1:H-1:	C-3:N-3:H-1:	C(CCHH)(NHN)(O)	C(CNO)2(H)2	N(CCO)(NHH)(H)	C(CCHH)(NHN)(O)	C(CNO)2(H)2	N(CCO)(NHH)(H)	115.4770	0.662	2	115.4770	0.438	2	115.4770	0.438	2	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-3:C-3:H-1:	C(CHHN)(NCH)(O)	C(CNO)(NCC)(H)2	N(CCO)(CNO)(H)	C(CHHN)(NCH)(O)	C(CNO)(NCC)(H)2	N(CCO)(CNO)(H)	113.9135	0.021	2	113.9135	0.000	2	115.4276	2.118	18	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-3:C-3:H-1:	C(CHHN)(NCH)(O)	C(CNO)(NCH)(H)2	N(CCC)(CCO)(H)	C(CHHN)(NCH)(O)	C(CNO)(NCH)(H)2	N(CCC)(CCO)(H)	115.7307	1.408	15	115.7307	1.982	15	115.4276	2.118	18	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-3:C-3:H-1:	C(CHHN)(NCH)(O)	C(CNO)(NCH)(H)2	N(CCO)(CCP)(H)	C(CHHN)(NCH)(O)	C(CNO)(NCH)(H)2	N(CCO)(CCP)(H)	113.9100	0.000	1	113.9100	0.000	1	115.4276	2.118	18	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-3:N-3:H-1:	C(CHHN)(NHN)(O)	C(CNO)(NCH)(H)2	N(CCO)(NCC)(H)	C(CHHN)(NHN)(O)	C(CNO)(NCH)(H)2	N(CCO)(NCC)(H)	115.0390	0.000	1	115.0390	0.000	1	115.4362	0.551	35	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-3:N-3:H-1:	C(CHHN)(NHN)(O)	C(CNO)(NCN)(H)2	N(CCO)(NCC)(H)	C(CHHN)(NHN)(O)	C(CNO)(NCN)(H)2	N(CCO)(NCC)(H)	115.4479	0.750	34	115.4479	0.563	34	115.4362	0.551	35	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[5]-3:C-3:F-1:F-1:	C[6a]-3:C-3:H-1:	C(CC[5]FF)(NC[6a]H)(O)	C(C[5]C[5]2)(CNO)(F)2	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5]FF)(NC[6a]H)(O)	C(C[5]C[5]2)(CNO)(F)2	N(C[6a]C[6a]2)(CCO)(H)	114.7580	0.000	1	114.7580	0.000	1	114.7580	0.000	1	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[5]-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(CC[5]HH)(NC[6a]H)(O)	C(C[5]C[5]N[5])(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5]HH)(NC[6a]H)(O)	C(C[5]C[5]N[5])(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	112.2420	0.000	1	112.2420	0.000	1	112.2420	0.000	1	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[5a]-3:C-3:F-1:F-1:	C[6a]-3:C-3:H-1:	C(CC[5a]FF)(NC[6a]H)(O)	C(C[5a]C[5a]N[5a])(CNO)(F)2	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5a]FF)(NC[6a]H)(O)	C(C[5a]C[5a]N[5a])(CNO)(F)2	N(C[6a]C[6a]2)(CCO)(H)	116.0350	0.000	1	116.0350	0.000	1	116.0350	0.000	1	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[5a]-3:C-3:H-1:H-1:	C-3:N-3:H-1:	C(CC[5a]HH)(NHN)(O)	C(C[5a]C[5a,6a]C[5a])(CNO)(H)2	N(CCO)(NHH)(H)	C(CC[5a]HH)(NHN)(O)	C(C[5a]C[5a,6a]C[5a])(CNO)(H)2	N(CCO)(NHH)(H)	114.2635	0.234	2	114.2635	0.055	2	114.8690	1.127	3	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[5a]-3:C-3:H-1:H-1:	C-3:N-3:H-1:	C(CC[5a]HH)(NHN)(O)	C(C[5a]C[5a]N[5a])(CNO)(H)2	N(CCO)(NHH)(H)	C(CC[5a]HH)(NHN)(O)	C(C[5a]C[5a]N[5a])(CNO)(H)2	N(CCO)(NHH)(H)	116.0800	0.000	1	116.0800	0.000	1	114.8690	1.127	3	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[5a]-3:C-3:H-1:H-1:	C[5a]-3:C-3:H-1:	C(CC[5a]HH)(NC[5a]H)(O)	C(C[5a]C[5a]S[5a])(CNO)(H)2	N(C[5a]C[5a]S[5a])(CCO)(H)	C(CC[5a]HH)(NC[5a]H)(O)	C(C[5a]C[5a]S[5a])(CNO)(H)2	N(C[5a]C[5a]S[5a])(CCO)(H)	115.6647	0.417	3	115.6647	0.174	3	115.6647	0.174	3	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[5a]-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(CC[5a]HH)(NC[6a]H)(O)	C(C[5a]C[5a,6a]C[5a])(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5a]HH)(NC[6a]H)(O)	C(C[5a]C[5a,6a]C[5a])(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	114.6100	0.000	1	114.6100	0.000	1	115.2986	0.833	8	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[5a]-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(CC[5a]HH)(NC[6a]H)(O)	C(C[5a]C[5a]N[5a])(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5a]HH)(NC[6a]H)(O)	C(C[5a]C[5a]N[5a])(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	115.3970	0.939	7	115.3970	0.882	7	115.2986	0.833	8	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[5a]-3:C-3:H-1:H-1:	N[5]-3:C-3:H-1:	C(CC[5a]HH)(NN[5]H)(O)	C(C[5a]N[5a,5a]C[5a])(CNO)(H)2	N(N[5]C[5,6]C[5])(CCO)(H)	C(CC[5a]HH)(NN[5]H)(O)	C(C[5a]N[5a,5a]C[5a])(CNO)(H)2	N(N[5]C[5,6]C[5])(CCO)(H)	114.7155	0.151	2	114.7155	0.023	2	114.7155	0.023	2	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[6]-3:C-3:H-1:H-1:	C-3:C-3:H-1:	C(CC[6]HH)(NCH)(O)	C(C[6]C[6]2)(CNO)(H)2	N(CCO)(CNO)(H)	C(CC[6]HH)(NCH)(O)	C(C[6]C[6]2)(CNO)(H)2	N(CCO)(CNO)(H)	115.4390	0.000	1	115.4390	0.000	1	115.4390	0.000	1	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:Cl-1:H-1:	C[6a]-3:C-3:H-1:	C(CC[6a]ClH)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CNO)(Cl)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]ClH)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CNO)(Cl)(H)	N(C[6a]C[6a]2)(CCO)(H)	115.8817	2.241	4	115.8817	5.023	4	115.8817	5.023	4	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:F-1:F-1:	C[6a]-3:C-3:H-1:	C(CC[6a]FF)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CNO)(F)2	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]FF)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CNO)(F)2	N(C[6a]C[6a]2)(CCO)(H)	115.8210	0.051	2	115.8210	0.003	2	115.8210	0.003	2	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:F-1:H-1:	C-3:S-3:H-1:	C(CC[6a]FH)(NHS)(O)	C(C[6a]C[6a]2)(CNO)(F)(H)	N(CCO)(SCO)(H)	C(CC[6a]FH)(NHS)(O)	C(C[6a]C[6a]2)(CNO)(F)(H)	N(CCO)(SCO)(H)	116.2970	0.000	1	116.2970	0.000	1	116.2970	0.000	1	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:F-1:H-1:	C[6a]-3:C-3:H-1:	C(CC[6a]FH)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CNO)(F)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]FH)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CNO)(F)(H)	N(C[6a]C[6a]2)(CCO)(H)	116.6320	0.000	1	116.6320	0.000	1	116.6320	0.000	1	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C-3:C-3:H-1:	C(CC[6a]HH)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CCO)(CNN)(H)	C(CC[6a]HH)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CCO)(CNN)(H)	112.7215	1.276	2	112.7215	1.629	2	115.7932	10.353	6	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C-3:C-3:H-1:	C(CC[6a]HH)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CCO)(CNS)(H)	C(CC[6a]HH)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CCO)(CNS)(H)	115.0860	1.305	2	115.0860	1.704	2	115.7932	10.353	6	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C-3:C-3:H-1:	C(CC[6a]HH)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CCO)2(H)	C(CC[6a]HH)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CCO)2(H)	119.5720	0.042	2	119.5720	0.002	2	115.7932	10.353	6	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C-3:N-3:H-1:	C(CC[6a]HH)(NHN)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CCO)(NCH)(H)	C(CC[6a]HH)(NHN)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CCO)(NCH)(H)	115.1715	0.919	4	115.1715	0.845	4	115.3539	0.430	8	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C-3:N-3:H-1:	C(CC[6a]HH)(NHN)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CCO)(NHH)(H)	C(CC[6a]HH)(NHN)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CCO)(NHH)(H)	115.5953	0.291	3	115.5953	0.085	3	115.3539	0.430	8	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C-3:N-3:H-1:	C(CC[6a]HH)(NHN)(O)	C(C[6a]N[5a,6a]C[6a])(CNO)(H)2	N(CCO)(NHH)(H)	C(CC[6a]HH)(NHN)(O)	C(C[6a]N[5a,6a]C[6a])(CNO)(H)2	N(CCO)(NHH)(H)	115.3590	0.000	1	115.3590	0.000	1	115.3539	0.430	8	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C[5a]-3:C-3:H-1:	C(CC[6a]HH)(NC[5a]H)(O)	C(C[6a]C[6a,6a]C[6a])(CNO)(H)2	N(C[5a]N[5a]S[5a])(CCO)(H)	C(CC[6a]HH)(NC[5a]H)(O)	C(C[6a]C[6a,6a]C[6a])(CNO)(H)2	N(C[5a]N[5a]S[5a])(CCO)(H)	114.6850	0.000	1	114.6850	0.000	1	114.5938	0.800	19	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C[5a]-3:C-3:H-1:	C(CC[6a]HH)(NC[5a]H)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(C[5a]C[5a,6a]C[5a])(CCO)(H)	C(CC[6a]HH)(NC[5a]H)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(C[5a]C[5a,6a]C[5a])(CCO)(H)	114.8380	0.000	1	114.8380	0.000	1	114.5938	0.800	19	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C[5a]-3:C-3:H-1:	C(CC[6a]HH)(NC[5a]H)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(C[5a]C[5a]2)(CCO)(H)	C(CC[6a]HH)(NC[5a]H)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(C[5a]C[5a]2)(CCO)(H)	114.5456	0.776	8	114.5456	0.602	8	114.5938	0.800	19	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C[5a]-3:C-3:H-1:	C(CC[6a]HH)(NC[5a]H)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(C[5a]C[5a]N[5a])(CCO)(H)	C(CC[6a]HH)(NC[5a]H)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(C[5a]C[5a]N[5a])(CCO)(H)	114.5880	0.000	1	114.5880	0.000	1	114.5938	0.800	19	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C[5a]-3:C-3:H-1:	C(CC[6a]HH)(NC[5a]H)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(C[5a]N[5a]S[5a])(CCO)(H)	C(CC[6a]HH)(NC[5a]H)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(C[5a]N[5a]S[5a])(CCO)(H)	114.6008	1.201	8	114.6008	1.441	8	114.5938	0.800	19	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(CC[6a]HH)(NC[6a]H)(O)	C(C[6a]C[6a,6a]C[6a])(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]HH)(NC[6a]H)(O)	C(C[6a]C[6a,6a]C[6a])(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	114.9846	1.087	7	114.9846	1.181	7	114.8572	1.940	31	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(CC[6a]HH)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	C(CC[6a]HH)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(C[6a]C[5a,6a]C[6a])(CCO)(H)	115.0190	0.423	2	115.0190	0.179	2	114.8572	1.940	31	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(CC[6a]HH)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CC[6a]HH)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	115.6750	0.000	1	115.6750	0.000	1	114.8572	1.940	31	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(CC[6a]HH)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]HH)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	114.4647	0.958	16	114.4647	0.917	16	114.8572	1.940	31	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(CC[6a]HH)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(C[6a]C[6a]N[6a])(CCO)(H)	C(CC[6a]HH)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(C[6a]C[6a]N[6a])(CCO)(H)	114.5210	0.393	3	114.5210	0.155	3	114.8572	1.940	31	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(CC[6a]HH)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(C[6a]N[6a]2)(CCO)(H)	C(CC[6a]HH)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(C[6a]N[6a]2)(CCO)(H)	120.6020	0.000	1	120.6020	0.000	1	114.8572	1.940	31	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(CC[6a]HH)(NC[6a]H)(O)	C(C[6a]N[5a,6a]C[6a])(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]HH)(NC[6a]H)(O)	C(C[6a]N[5a,6a]C[6a])(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	114.3680	0.000	1	114.3680	0.000	1	114.8572	1.940	31	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	N[5]-3:C-3:H-1:	C(CC[6a]HH)(NN[5]H)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(N[5]C[5]2)(CCO)(H)	C(CC[6a]HH)(NN[5]H)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(N[5]C[5]2)(CCO)(H)	116.1730	0.000	1	116.1730	0.000	1	116.1730	0.000	1	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	N-3:C-3:H-1:H-1:	C-3:N-3:H-1:	C(CHHN)(NHN)(O)	C(NC[6a]H)(CNO)(H)2	N(CCO)(NHH)(H)	C(CHHN)(NHN)(O)	C(NC[6a]H)(CNO)(H)2	N(CCO)(NHH)(H)	115.3970	0.000	1	115.3970	0.000	1	115.3970	0.000	1	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	N[5]-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(CN[5]HH)(NC[6a]H)(O)	C(N[5]C[5,6a]C[5])(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(CN[5]HH)(NC[6a]H)(O)	C(N[5]C[5,6a]C[5])(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	115.9420	0.000	1	115.9420	0.000	1	113.6817	3.505	21	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	N[5]-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(CN[5]HH)(NC[6a]H)(O)	C(N[5]C[5]2)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(CN[5]HH)(NC[6a]H)(O)	C(N[5]C[5]2)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	113.6239	1.879	19	113.6239	3.532	19	113.6817	3.505	21	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	N[5]-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(CN[5]HH)(NC[6a]H)(O)	C(N[5]C[5]S[5])(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(CN[5]HH)(NC[6a]H)(O)	C(N[5]C[5]S[5])(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	112.5190	0.000	1	112.5190	0.000	1	113.6817	3.505	21	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	N[5a]-3:C-3:H-1:H-1:	C-3:N-3:H-1:	C(CN[5a]HH)(NHN)(O)	C(N[5a]C[5a,6a]N[5a])(CNO)(H)2	N(CCO)(NHH)(H)	C(CN[5a]HH)(NHN)(O)	C(N[5a]C[5a,6a]N[5a])(CNO)(H)2	N(CCO)(NHH)(H)	114.8770	0.000	1	114.8770	0.000	1	114.1960	0.928	2	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	N[5a]-3:C-3:H-1:H-1:	C-3:N-3:H-1:	C(CN[5a]HH)(NHN)(O)	C(N[5a]C[5a]2)(CNO)(H)2	N(CCO)(NHH)(H)	C(CN[5a]HH)(NHN)(O)	C(N[5a]C[5a]2)(CNO)(H)2	N(CCO)(NHH)(H)	113.5150	0.000	1	113.5150	0.000	1	114.1960	0.928	2	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	N[5a]-3:C-3:H-1:H-1:	C[5a]-3:C-3:H-1:	C(CN[5a]HH)(NC[5a]H)(O)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N(C[5a]N[5a]2)(CCO)(H)	C(CN[5a]HH)(NC[5a]H)(O)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N(C[5a]N[5a]2)(CCO)(H)	110.2170	0.000	1	110.2170	0.000	1	110.2170	0.000	1	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	N[5a]-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(CN[5a]HH)(NC[6a]H)(O)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(CN[5a]HH)(NC[6a]H)(O)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	113.0640	0.013	2	113.0640	0.000	2	113.0640	0.000	2	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	N[5a]-3:C-3:H-1:H-1:	N-3:C-3:H-1:	C(CN[5a]HH)(NHN)(O)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N(NC[6]H)(CCO)(H)	C(CN[5a]HH)(NHN)(O)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N(NC[6]H)(CCO)(H)	114.4350	0.000	1	114.4350	0.000	1	114.4350	0.000	1	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	N[6]-3:C-3:H-1:H-1:	C-3:N-3:H-1:	C(CN[6]HH)(NHN)(O)	C(N[6]C[6,6a]C[6])(CNO)(H)2	N(CCO)(NHH)(H)	C(CN[6]HH)(NHN)(O)	C(N[6]C[6,6a]C[6])(CNO)(H)2	N(CCO)(NHH)(H)	113.9950	0.000	1	113.9950	0.000	1	113.9950	0.000	1	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	N[6]-3:C-3:H-1:H-1:	C[5a]-3:C-3:H-1:	C(CN[6]HH)(NC[5a]H)(O)	C(N[6]C[6]2)(CNO)(H)2	N(C[5a]N[5a]S[5a])(CCO)(H)	C(CN[6]HH)(NC[5a]H)(O)	C(N[6]C[6]2)(CNO)(H)2	N(C[5a]N[5a]S[5a])(CCO)(H)	115.3595	0.450	2	115.3595	0.203	2	115.3595	0.203	2	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	N[6]-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(CN[6]HH)(NC[6a]H)(O)	C(N[6]C[6]2)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CN[6]HH)(NC[6a]H)(O)	C(N[6]C[6]2)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	113.4990	0.000	1	113.4990	0.000	1	113.6476	1.038	7	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	N[6]-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(CN[6]HH)(NC[6a]H)(O)	C(N[6]C[6]2)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(CN[6]HH)(NC[6a]H)(O)	C(N[6]C[6]2)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	113.3552	1.140	4	113.3552	1.300	4	113.6476	1.038	7	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:O-1:	N[6]-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(CN[6]HH)(NC[6a]H)(O)	C(N[6]C[6]2)(CNO)(H)2	N(C[6a]C[6a]N[6a])(CCO)(H)	C(CN[6]HH)(NC[6a]H)(O)	C(N[6]C[6]2)(CNO)(H)2	N(C[6a]C[6a]N[6a])(CCO)(H)	114.3065	1.047	2	114.3065	1.097	2	113.6476	1.038	7	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:1:	C-4:N-3:S-1:	C-3:C-3:H-1:H-1:	C-3:C-3:H-1:	C(CCHH)(NCH)(S)	C(CC[6a]N)(CNS)(H)2	N(CCS)(CNS)(H)	C(CCHH)(NCH)(S)	C(CC[6a]N)(CNS)(H)2	N(CCS)(CNS)(H)	114.9980	0.000	1	114.9980	0.000	1	114.9980	0.000	1	114.9160	2.313	189	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:3:	C-4:N-3:O-1:	C[5a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(CC[5a]HH)(NC[6a]2)(O)	C(C[5a]N[5a]2)(CNO)(H)2	N(C[6a]C[6a]2)2(CCO)	C(CC[5a]HH)(NC[6a]2)(O)	C(C[5a]N[5a]2)(CNO)(H)2	N(C[6a]C[6a]2)2(CCO)	115.9890	0.000	1	115.9890	0.000	1	115.9890	0.000	1	116.4750	1.537	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:3:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]HH)(NC[6a]2)(O)	C(C[6a]C[6a]N[6a])(CNO)(H)2	N(C[6a]C[6a]2)2(CCO)	C(CC[6a]HH)(NC[6a]2)(O)	C(C[6a]C[6a]N[6a])(CNO)(H)2	N(C[6a]C[6a]2)2(CCO)	117.2940	1.307	2	117.2940	1.708	2	117.2940	1.708	2	116.4750	1.537	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:3:3:	C-4:N-3:O-1:	N[5]-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:	C(CN[5]HH)(NC[6a]2)(O)	C(N[5]C[5]2)(CNO)(H)2	N(C[6a]C[6a]2)2(CCO)	C(CN[5]HH)(NC[6a]2)(O)	C(N[5]C[5]2)(CNO)(H)2	N(C[6a]C[6a]2)2(CCO)	115.3230	0.000	1	115.3230	0.000	1	115.3230	0.000	1	116.4750	1.537	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:4:3:	C-4:N-3:O-1:	C[6a]-3:C-3:Cl-1:H-1:	C[6a]-3:C-4:C-3:	C(CC[6a]ClH)(NC[6a]C)(O)	C(C[6a]C[6a]2)(CNO)(Cl)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(CC[6a]ClH)(NC[6a]C)(O)	C(C[6a]C[6a]2)(CNO)(Cl)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	116.5460	0.000	1	116.5460	0.000	1	116.5460	0.000	1	116.1856	0.313	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:4:3:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C-3:C-4:C-3:	C(CC[6a]HH)(NCC)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CC[6a]C)(CH3)(CCO)	C(CC[6a]HH)(NCC)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CC[6a]C)(CH3)(CCO)	116.1223	0.258	3	116.1223	0.067	3	116.1223	0.067	3	116.1856	0.313	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:4:3:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(CC[6a]HH)(NC[6a]C)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(C[6a]C[6a]2)(CH3)(CCO)	C(CC[6a]HH)(NC[6a]C)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(C[6a]C[6a]2)(CH3)(CCO)	116.0650	0.132	2	116.0650	0.017	2	116.0650	0.017	2	116.1856	0.313	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:4:3:	C-4:N-3:O-1:	N[5]-3:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(CN[5]HH)(NC[6a]C)(O)	C(N[5]C[5,6a]C[5])(CNO)(H)2	N(C[6a]C[6a]2)(CH3)(CCO)	C(CN[5]HH)(NC[6a]C)(O)	C(N[5]C[5,6a]C[5])(CNO)(H)2	N(C[6a]C[6a]2)(CH3)(CCO)	116.8430	0.000	1	116.8430	0.000	1	116.8430	0.000	1	116.1856	0.313	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:4:3:	C-4:N-3:O-1:	N[5a]-3:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(CN[5a]HH)(NC[6a]C)(O)	C(N[5a]C[5a,6a]C[5a])(CNO)(H)2	N(C[6a]C[6a]2)(CH3)(CCO)	C(CN[5a]HH)(NC[6a]C)(O)	C(N[5a]C[5a,6a]C[5a])(CNO)(H)2	N(C[6a]C[6a]2)(CH3)(CCO)	116.9310	0.000	1	116.9310	0.000	1	115.9475	1.935	2	116.1856	0.313	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:4:3:	C-4:N-3:O-1:	N[5a]-3:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(CN[5a]HH)(NC[6a]C)(O)	C(N[5a]C[5a]2)(CNO)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(CN[5a]HH)(NC[6a]C)(O)	C(N[5a]C[5a]2)(CNO)(H)2	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	114.9640	0.000	1	114.9640	0.000	1	115.9475	1.935	2	116.1856	0.313	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	3:4:3:	C-4:N-3:O-1:	N[6]-3:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(CN[6]HH)(NC[6a]C)(O)	C(N[6]C[6]2)(CNO)(H)2	N(C[6a]C[6a]2)(CH3)(CCO)	C(CN[6]HH)(NC[6a]C)(O)	C(N[6]C[6]2)(CNO)(H)2	N(C[6a]C[6a]2)(CH3)(CCO)	116.0750	0.000	1	116.0750	0.000	1	116.0750	0.000	1	116.1856	0.313	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:C-3:Cl-1:Cl-1:	C-4:C-3:H-1:	C(CCl2C)(NCH)(O)	C(CNO)2(Cl)2	N(CCHH)(CCO)(H)	C(CCl2C)(NCH)(O)	C(CNO)2(Cl)2	N(CCHH)(CCO)(H)	115.4190	0.843	2	115.4190	0.710	2	115.4190	0.710	2	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:C-3:F-1:F-1:	C-4:C-3:H-1:	C(CCFF)(NCH)(O)	C(CCC)(CNO)(F)2	N(CC[6a]HH)(CCO)(H)	C(CCFF)(NCH)(O)	C(CCC)(CNO)(F)2	N(CC[6a]HH)(CCO)(H)	115.3180	0.000	1	115.3180	0.000	1	115.0847	0.184	3	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:C-3:F-1:F-1:	C-4:C-3:H-1:	C(CCFF)(NCH)(O)	C(CNO)2(F)2	N(CCHH)(CCO)(H)	C(CCFF)(NCH)(O)	C(CNO)2(F)2	N(CCHH)(CCO)(H)	114.9680	0.536	2	114.9680	0.287	2	115.0847	0.184	3	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:C-3:F-1:H-1:	C-4:C-3:H-1:	C(CCFH)(NCH)(O)	C(CNO)(COO)(F)(H)	N(CC[6a]HH)(CCO)(H)	C(CCFH)(NCH)(O)	C(CNO)(COO)(F)(H)	N(CC[6a]HH)(CCO)(H)	116.3840	0.000	1	116.3840	0.000	1	115.8720	0.194	5	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:C-3:F-1:H-1:	C-4:C-3:H-1:	C(CCFH)(NCH)(O)	C(CNO)2(F)(H)	N(CCHH)(CCO)(H)	C(CCFH)(NCH)(O)	C(CNO)2(F)(H)	N(CCHH)(CCO)(H)	115.7440	0.386	4	115.7440	0.149	4	115.8720	0.194	5	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CCH)(CNO)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CCH)(CNO)(H)2	N(CCCH)(CCO)(H)	116.1157	0.396	3	116.1157	0.157	3	116.1554	0.478	14	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CCH)(CNO)(H)2	N(CC[6a]CH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CCH)(CNO)(H)2	N(CC[6a]CH)(CCO)(H)	116.3055	1.079	4	116.3055	1.163	4	116.1554	0.478	14	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CNO)(COO)(H)2	N(CC[6a]CH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CNO)(COO)(H)2	N(CC[6a]CH)(CCO)(H)	116.1890	0.000	1	116.1890	0.000	1	116.1554	0.478	14	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CNO)2(H)2	N(CC3)(CCO)(H)	C(CCHH)(NCH)(O)	C(CNO)2(H)2	N(CC3)(CCO)(H)	115.9860	0.000	1	115.9860	0.000	1	116.1554	0.478	14	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CNO)2(H)2	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CNO)2(H)2	N(CCHH)(CCO)(H)	116.0864	0.753	5	116.0864	0.567	5	116.1554	0.478	14	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(CNO)(NCC)(H)2	N(CCCH)(CCO)(H)	C(CHHN)(NCH)(O)	C(CNO)(NCC)(H)2	N(CCCH)(CCO)(H)	115.2387	1.701	3	115.2387	2.892	3	115.8598	2.026	130	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(CNO)(NCC)(H)2	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(O)	C(CNO)(NCC)(H)2	N(CCHH)(CCO)(H)	115.6670	1.245	7	115.6670	1.550	7	115.8598	2.026	130	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(CNO)(NCC)(H)2	N(CC[6a]2H)(CCO)(H)	C(CHHN)(NCH)(O)	C(CNO)(NCC)(H)2	N(CC[6a]2H)(CCO)(H)	116.3920	0.000	1	116.3920	0.000	1	115.8598	2.026	130	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(CNO)(NCC)(H)2	N(CC[6a]CH)(CCO)(H)	C(CHHN)(NCH)(O)	C(CNO)(NCC)(H)2	N(CC[6a]CH)(CCO)(H)	116.2150	0.000	1	116.2150	0.000	1	115.8598	2.026	130	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(CNO)(NCC)(H)2	N(CC[6a]HH)(CCO)(H)	C(CHHN)(NCH)(O)	C(CNO)(NCC)(H)2	N(CC[6a]HH)(CCO)(H)	118.0910	0.000	1	118.0910	0.000	1	115.8598	2.026	130	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(CNO)(NCC)(H)2	N(CH3)(CCO)(H)	C(CHHN)(NCH)(O)	C(CNO)(NCC)(H)2	N(CH3)(CCO)(H)	118.2250	0.000	1	118.2250	0.000	1	115.8598	2.026	130	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(CNO)(NCH)(H)2	N(CC3)(CCO)(H)	C(CHHN)(NCH)(O)	C(CNO)(NCH)(H)2	N(CC3)(CCO)(H)	116.3017	1.408	6	116.3017	1.982	6	115.8598	2.026	130	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(CNO)(NCH)(H)2	N(CCCH)(CCO)(H)	C(CHHN)(NCH)(O)	C(CNO)(NCH)(H)2	N(CCCH)(CCO)(H)	115.7115	1.417	44	115.7115	2.007	44	115.8598	2.026	130	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(CNO)(NCH)(H)2	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(O)	C(CNO)(NCH)(H)2	N(CCHH)(CCO)(H)	115.8967	1.361	51	115.8967	1.852	51	115.8598	2.026	130	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(CNO)(NCH)(H)2	N(CC[6a]CH)(CCO)(H)	C(CHHN)(NCH)(O)	C(CNO)(NCH)(H)2	N(CC[6a]CH)(CCO)(H)	115.1705	1.589	4	115.1705	2.526	4	115.8598	2.026	130	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(CNO)(NCH)(H)2	N(CC[6a]HH)(CCO)(H)	C(CHHN)(NCH)(O)	C(CNO)(NCH)(H)2	N(CC[6a]HH)(CCO)(H)	114.1180	0.000	1	114.1180	0.000	1	115.8598	2.026	130	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(CNO)(NCH)(H)2	N(CH3)(CCO)(H)	C(CHHN)(NCH)(O)	C(CNO)(NCH)(H)2	N(CH3)(CCO)(H)	118.2120	0.000	1	118.2120	0.000	1	115.8598	2.026	130	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(CNO)(NCH)(H)2	N(CHHP)(CCO)(H)	C(CHHN)(NCH)(O)	C(CNO)(NCH)(H)2	N(CHHP)(CCO)(H)	117.1517	0.378	3	117.1517	0.143	3	115.8598	2.026	130	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(CNO)(NCN)(H)2	N(CCCH)(CCO)(H)	C(CHHN)(NCH)(O)	C(CNO)(NCN)(H)2	N(CCCH)(CCO)(H)	116.5650	0.000	1	116.5650	0.000	1	115.8598	2.026	130	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(CNO)(NCO)(H)2	N(CCCH)(CCO)(H)	C(CHHN)(NCH)(O)	C(CNO)(NCO)(H)2	N(CCCH)(CCO)(H)	114.4613	0.978	4	114.4613	0.956	4	115.8598	2.026	130	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(CNO)(NHH)(H)2	N(CC3)(CCO)(H)	C(CHHN)(NCH)(O)	C(CNO)(NHH)(H)2	N(CC3)(CCO)(H)	118.7430	0.000	1	118.7430	0.000	1	115.8598	2.026	130	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[5]-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[5]HH)(NCH)(O)	C(C[5]C[5]2)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CC[5]HH)(NCH)(O)	C(C[5]C[5]2)(CNO)(H)2	N(CCHH)(CCO)(H)	116.0030	0.000	1	116.0030	0.000	1	116.0030	0.000	1	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[5a]-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[5a]HH)(NCH)(O)	C(C[5a]C[5a,6a]C[5a])(CNO)(H)2	N(CC[6a]CH)(CCO)(H)	C(CC[5a]HH)(NCH)(O)	C(C[5a]C[5a,6a]C[5a])(CNO)(H)2	N(CC[6a]CH)(CCO)(H)	117.3000	0.000	1	117.3000	0.000	1	116.8685	0.314	4	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[5a]-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[5a]HH)(NCH)(O)	C(C[5a]C[5a]N[5a])(CNO)(H)2	N(CCHH)(CCO)(H)	C(CC[5a]HH)(NCH)(O)	C(C[5a]C[5a]N[5a])(CNO)(H)2	N(CCHH)(CCO)(H)	116.7247	0.589	3	116.7247	0.346	3	116.8685	0.314	4	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[6]-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[6]HH)(NCH)(O)	C(C[6]C[6]N[6])(CNO)(H)2	N(CC3)(CCO)(H)	C(CC[6]HH)(NCH)(O)	C(C[6]C[6]N[6])(CNO)(H)2	N(CC3)(CCO)(H)	114.6725	0.779	2	114.6725	0.606	2	114.6725	0.606	2	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(NCH)(O)	C(C[6a]C[5,6a]C[6a])(CNO)(H)2	N(CC[5a]HH)(CCO)(H)	C(CC[6a]HH)(NCH)(O)	C(C[6a]C[5,6a]C[6a])(CNO)(H)2	N(CC[5a]HH)(CCO)(H)	115.4500	0.000	1	115.4500	0.000	1	116.3606	1.823	23	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(NCH)(O)	C(C[6a]C[6a,6a]C[6a])(CNO)(H)2	N(CC3)(CCO)(H)	C(CC[6a]HH)(NCH)(O)	C(C[6a]C[6a,6a]C[6a])(CNO)(H)2	N(CC3)(CCO)(H)	117.3060	0.511	2	117.3060	0.261	2	116.3606	1.823	23	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(NCH)(O)	C(C[6a]C[6a,6a]C[6a])(CNO)(H)2	N(CCHH)(CCO)(H)	C(CC[6a]HH)(NCH)(O)	C(C[6a]C[6a,6a]C[6a])(CNO)(H)2	N(CCHH)(CCO)(H)	116.4470	0.000	1	116.4470	0.000	1	116.3606	1.823	23	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CCCH)(CCO)(H)	C(CC[6a]HH)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CCCH)(CCO)(H)	115.6660	0.845	3	115.6660	0.714	3	116.3606	1.823	23	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CC[6a]HH)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CCHH)(CCO)(H)	117.7597	0.882	6	117.7597	0.778	6	116.3606	1.823	23	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CCHO)(CCO)(H)	C(CC[6a]HH)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CCHO)(CCO)(H)	115.9210	0.000	1	115.9210	0.000	1	116.3606	1.823	23	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CC[6a]CH)(CCO)(H)	C(CC[6a]HH)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CC[6a]CH)(CCO)(H)	115.6130	0.000	1	115.6130	0.000	1	116.3606	1.823	23	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CC[6a]HH)(CCO)(H)	C(CC[6a]HH)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CC[6a]HH)(CCO)(H)	116.7043	0.843	4	116.7043	0.711	4	116.3606	1.823	23	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[6a]HH)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CH3)(CCO)(H)	C(CC[6a]HH)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CH3)(CCO)(H)	114.4695	0.592	4	114.4695	0.350	4	116.3606	1.823	23	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C[4]-4:C-3:H-1:	C(CC[6a]HH)(NC[4]H)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(C[4]C[4,5]C[4]H)(CCO)(H)	C(CC[6a]HH)(NC[4]H)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(C[4]C[4,5]C[4]H)(CCO)(H)	115.8320	0.000	1	115.8320	0.000	1	115.8320	0.000	1	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C(CC[6a]HH)(NC[6]H)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(C[6]C[6]2H)(CCO)(H)	C(CC[6a]HH)(NC[6]H)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(C[6]C[6]2H)(CCO)(H)	113.6810	0.000	1	113.6810	0.000	1	113.6810	0.000	1	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	N-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(NC[3]C)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(O)	C(NC[3]C)(CNO)(H)2	N(CCHH)(CCO)(H)	116.8852	1.071	4	116.8852	1.146	4	116.5940	2.229	18	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	N-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(NC[5,6]H)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(O)	C(NC[5,6]H)(CNO)(H)2	N(CCHH)(CCO)(H)	116.1100	0.000	1	116.1100	0.000	1	116.5940	2.229	18	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	N-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(NC[6]H)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(O)	C(NC[6]H)(CNO)(H)2	N(CCHH)(CCO)(H)	118.6290	0.000	1	118.6290	0.000	1	116.5940	2.229	18	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	N-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(NC[6a]C)(CNO)(H)2	N(CC3)(CCO)(H)	C(CHHN)(NCH)(O)	C(NC[6a]C)(CNO)(H)2	N(CC3)(CCO)(H)	112.3210	0.000	1	112.3210	0.000	1	116.5940	2.229	18	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	N-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(NC[6a]C)(CNO)(H)2	N(CC[6a]CH)(CCO)(H)	C(CHHN)(NCH)(O)	C(NC[6a]C)(CNO)(H)2	N(CC[6a]CH)(CCO)(H)	116.8040	0.997	2	116.8040	0.994	2	116.5940	2.229	18	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	N-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(NC[6a]H)(CNO)(H)2	N(CCCH)(CCO)(H)	C(CHHN)(NCH)(O)	C(NC[6a]H)(CNO)(H)2	N(CCCH)(CCO)(H)	116.4090	0.000	1	116.4090	0.000	1	116.5940	2.229	18	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	N-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(NC[6a]H)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(O)	C(NC[6a]H)(CNO)(H)2	N(CCHH)(CCO)(H)	116.6977	1.675	3	116.6977	2.807	3	116.5940	2.229	18	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	N-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(NMnC)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(O)	C(NMnC)(CNO)(H)2	N(CCHH)(CCO)(H)	116.3370	0.000	1	116.3370	0.000	1	116.5940	2.229	18	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	N-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(NMoC)(CNO)(H)2	N(CCCH)(CCO)(H)	C(CHHN)(NCH)(O)	C(NMoC)(CNO)(H)2	N(CCCH)(CCO)(H)	118.0950	0.000	1	118.0950	0.000	1	116.5940	2.229	18	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	N-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(NMoC)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(O)	C(NMoC)(CNO)(H)2	N(CCHH)(CCO)(H)	117.7670	0.000	1	117.7670	0.000	1	116.5940	2.229	18	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	N-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(NPdC)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(O)	C(NPdC)(CNO)(H)2	N(CCHH)(CCO)(H)	115.7670	0.000	1	115.7670	0.000	1	116.5940	2.229	18	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	N-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(NReC)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(O)	C(NReC)(CNO)(H)2	N(CCHH)(CCO)(H)	116.0150	0.000	1	116.0150	0.000	1	116.5940	2.229	18	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	N[5]-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CN[5]HH)(NCH)(O)	C(N[5]C[5]2)(CNO)(H)2	N(CC3)(CCO)(H)	C(CN[5]HH)(NCH)(O)	C(N[5]C[5]2)(CNO)(H)2	N(CC3)(CCO)(H)	113.0310	0.000	1	113.0310	0.000	1	114.9543	9.794	6	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	N[5]-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CN[5]HH)(NCH)(O)	C(N[5]C[5]2)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CN[5]HH)(NCH)(O)	C(N[5]C[5]2)(CNO)(H)2	N(CCHH)(CCO)(H)	115.3390	3.337	5	115.3390	11.132	5	114.9543	9.794	6	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	N[5a]-3:C-3:F-1:F-1:	C-4:C-3:H-1:	C(CN[5a]FF)(NCH)(O)	C(N[5a]C[5a]N[5a])(CNO)(F)2	N(CCCH)(CCO)(H)	C(CN[5a]FF)(NCH)(O)	C(N[5a]C[5a]N[5a])(CNO)(F)2	N(CCCH)(CCO)(H)	114.7980	0.000	1	114.7980	0.000	1	114.7980	0.000	1	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	N[5a]-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CN[5a]HH)(NCH)(O)	C(N[5a]C[5a,6a]C[5a])(CNO)(H)2	N(CCCH)(CCO)(H)	C(CN[5a]HH)(NCH)(O)	C(N[5a]C[5a,6a]C[5a])(CNO)(H)2	N(CCCH)(CCO)(H)	113.8290	0.000	1	113.8290	0.000	1	115.6587	7.124	12	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	N[5a]-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CN[5a]HH)(NCH)(O)	C(N[5a]C[5a,6a]C[5a])(CNO)(H)2	N(CCHH)(CCO)(H)	C(CN[5a]HH)(NCH)(O)	C(N[5a]C[5a,6a]C[5a])(CNO)(H)2	N(CCHH)(CCO)(H)	113.2820	0.000	1	113.2820	0.000	1	115.6587	7.124	12	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	N[5a]-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CN[5a]HH)(NCH)(O)	C(N[5a]C[5a]2)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CN[5a]HH)(NCH)(O)	C(N[5a]C[5a]2)(CNO)(H)2	N(CCHH)(CCO)(H)	121.7220	0.000	1	121.7220	0.000	1	115.6587	7.124	12	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	N[5a]-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CN[5a]HH)(NCH)(O)	C(N[5a]C[5a]2)(CNO)(H)2	N(CC[3x4,3x6]HH)(CCO)(H)	C(CN[5a]HH)(NCH)(O)	C(N[5a]C[5a]2)(CNO)(H)2	N(CC[3x4,3x6]HH)(CCO)(H)	113.6490	0.284	2	113.6490	0.081	2	115.6587	7.124	12	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	N[5a]-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CN[5a]HH)(NCH)(O)	C(N[5a]C[5a]2)(CNO)(H)2	N(CC[6a]HH)(CCO)(H)	C(CN[5a]HH)(NCH)(O)	C(N[5a]C[5a]2)(CNO)(H)2	N(CC[6a]HH)(CCO)(H)	114.4850	0.000	1	114.4850	0.000	1	115.6587	7.124	12	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	N[5a]-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CN[5a]HH)(NCH)(O)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N(CCCH)(CCO)(H)	C(CN[5a]HH)(NCH)(O)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N(CCCH)(CCO)(H)	115.8090	0.000	1	115.8090	0.000	1	115.6587	7.124	12	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	N[5a]-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CN[5a]HH)(NCH)(O)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N(CC[6a]HH)(CCO)(H)	C(CN[5a]HH)(NCH)(O)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N(CC[6a]HH)(CCO)(H)	116.2960	2.292	5	116.2960	5.254	5	115.6587	7.124	12	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	N[5a]-3:C-3:H-1:H-1:	C[4]-4:C-3:H-1:	C(CN[5a]HH)(NC[4]H)(O)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N(C[4]C[4,6]C[4]H)(CCO)(H)	C(CN[5a]HH)(NC[4]H)(O)	C(N[5a]C[5a]N[5a])(CNO)(H)2	N(C[4]C[4,6]C[4]H)(CCO)(H)	115.1920	0.000	1	115.1920	0.000	1	115.1920	0.000	1	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	N[6]-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CN[6]HH)(NCH)(O)	C(N[6]C[6]2)(CNO)(H)2	N(CCCH)(CCO)(H)	C(CN[6]HH)(NCH)(O)	C(N[6]C[6]2)(CNO)(H)2	N(CCCH)(CCO)(H)	114.6283	1.720	3	114.6283	2.958	3	114.7455	2.027	4	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	N[6]-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CN[6]HH)(NCH)(O)	C(N[6]C[6]2)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CN[6]HH)(NCH)(O)	C(N[6]C[6]2)(CNO)(H)2	N(CCHH)(CCO)(H)	115.0970	0.000	1	115.0970	0.000	1	114.7455	2.027	4	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	N[6a]-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CN[6a]HH)(NCH)(O)	C(N[6a]C[5,6a]C[6a])(CNO)(H)2	N(CC3)(CCO)(H)	C(CN[6a]HH)(NCH)(O)	C(N[6a]C[5,6a]C[6a])(CNO)(H)2	N(CC3)(CCO)(H)	114.1445	0.301	2	114.1445	0.090	2	114.3453	3.643	10	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	N[6a]-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CN[6a]HH)(NCH)(O)	C(N[6a]C[6a,6a]C[6a])(CNO)(H)2	N(CC3)(CCO)(H)	C(CN[6a]HH)(NCH)(O)	C(N[6a]C[6a,6a]C[6a])(CNO)(H)2	N(CC3)(CCO)(H)	114.5760	0.000	1	114.5760	0.000	1	114.3453	3.643	10	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	N[6a]-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CN[6a]HH)(NCH)(O)	C(N[6a]C[6a]2)(CNO)(H)2	N(CCCH)(CCO)(H)	C(CN[6a]HH)(NCH)(O)	C(N[6a]C[6a]2)(CNO)(H)2	N(CCCH)(CCO)(H)	113.1120	3.003	3	113.1120	9.020	3	114.3453	3.643	10	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	N[6a]-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CN[6a]HH)(NCH)(O)	C(N[6a]C[6a]2)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CN[6a]HH)(NCH)(O)	C(N[6a]C[6a]2)(CNO)(H)2	N(CCHH)(CCO)(H)	115.1377	1.710	3	115.1377	2.922	3	114.3453	3.643	10	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	N[6a]-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CN[6a]HH)(NCH)(O)	C(N[6a]C[6a]2)(CNO)(H)2	N(CC[6a]CH)(CCO)(H)	C(CN[6a]HH)(NCH)(O)	C(N[6a]C[6a]2)(CNO)(H)2	N(CC[6a]CH)(CCO)(H)	115.8390	0.000	1	115.8390	0.000	1	114.3453	3.643	10	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	S-3:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHS)(NCH)(O)	C(SC[6a]O)(CNO)(H)2	N(CC[6a]CH)(CCO)(H)	C(CHHS)(NCH)(O)	C(SC[6a]O)(CNO)(H)2	N(CC[6a]CH)(CCO)(H)	115.3585	0.859	2	115.3585	0.738	2	115.3585	0.738	2	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:S-1:	C-3:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(S)	C(CNS)(NCH)(H)2	N(CC3)(CCS)(H)	C(CHHN)(NCH)(S)	C(CNS)(NCH)(H)2	N(CC3)(CCS)(H)	116.2970	1.025	2	116.2970	1.051	2	116.2970	1.051	2	115.8433	2.420	242	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:2:	C-4:N-3:O-1:	C[5a]-3:C-3:H-1:H-1:	C-4:C-3:N-2:	C(CC[5a]HH)(NCN)(O)	C(C[5a]C[5a]S[5a])(CNO)(H)2	N(CH3)(CCO)(NC)	C(CC[5a]HH)(NCN)(O)	C(C[5a]C[5a]S[5a])(CNO)(H)2	N(CH3)(CCO)(NC)	117.4663	0.124	3	117.4663	0.015	3	117.4663	0.015	3	117.0088	0.504	5	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:2:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C-4:C-3:O-2:	C(CC[6a]HH)(NCO)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CH3)(CCO)(OC)	C(CC[6a]HH)(NCO)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CH3)(CCO)(OC)	116.7780	0.000	1	116.7780	0.000	1	116.7780	0.000	1	117.0088	0.504	5	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:2:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C[5]-4:C-3:O-2:	C(CC[6a]HH)(NC[5]O)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(C[5]C[5]2H)(CCO)(OH)	C(CC[6a]HH)(NC[5]O)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(C[5]C[5]2H)(CCO)(OH)	115.8670	0.000	1	115.8670	0.000	1	115.8670	0.000	1	117.0088	0.504	5	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:3:	C-4:N-3:O-1:	C-3:C-3:H-1:H-1:	C-4:C-3:C-3:	C(CCHH)(NCC)(O)	C(CCH)(CNO)(H)2	N(CC[6a]HH)(CC[6a]C)(CCO)	C(CCHH)(NCC)(O)	C(CCH)(CNO)(H)2	N(CC[6a]HH)(CC[6a]C)(CCO)	115.6430	0.000	1	115.6430	0.000	1	115.6430	0.000	1	115.4750	0.218	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:3:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-4:C-3:N-3:	C(CHHN)(NCN)(O)	C(CNO)(NCH)(H)2	N(CH3)(CCO)(NCC)	C(CHHN)(NCN)(O)	C(CNO)(NCH)(H)2	N(CH3)(CCO)(NCC)	114.9470	0.000	1	114.9470	0.000	1	114.9470	0.000	1	115.4750	0.218	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:3:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C-4:C-3:C-3:	C(CC[6a]HH)(NCC)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CCHH)(CCH)(CCO)	C(CC[6a]HH)(NCC)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CCHH)(CCH)(CCO)	115.8350	0.000	1	115.8350	0.000	1	115.8350	0.000	1	115.4750	0.218	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:H-1:	C[6a]-3:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CC[6a]HH)(NCC)(H)	C(C[6a]C[6a]2)(CHN)(H)2	N(CH3)2(CCH)	C(CC[6a]HH)(NCC)(H)	C(C[6a]C[6a]2)(CHN)(H)2	N(CH3)2(CCH)	123.3106	1.402	5	123.3106	1.965	5	123.3106	1.965	5	117.3166	2.593	174	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(O)	C(CNO)(NCC)(H)2	N(CCCH)(CCHH)(CCO)	C(CHHN)(NCC)(O)	C(CNO)(NCC)(H)2	N(CCCH)(CCHH)(CCO)	116.5388	0.583	6	116.5388	0.340	6	117.1784	1.366	116	117.3166	2.593	174	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(O)	C(CNO)(NCC)(H)2	N(CCHH)(CC3)(CCO)	C(CHHN)(NCC)(O)	C(CNO)(NCC)(H)2	N(CCHH)(CC3)(CCO)	116.8034	0.616	8	116.8034	0.379	8	117.1784	1.366	116	117.3166	2.593	174	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(O)	C(CNO)(NCC)(H)2	N(CCHH)2(CCO)	C(CHHN)(NCC)(O)	C(CNO)(NCC)(H)2	N(CCHH)2(CCO)	117.0897	1.049	43	117.0897	1.099	43	117.1784	1.366	116	117.3166	2.593	174	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(O)	C(CNO)(NCC)(H)2	N(CC[6a]CH)(CCHH)(CCO)	C(CHHN)(NCC)(O)	C(CNO)(NCC)(H)2	N(CC[6a]CH)(CCHH)(CCO)	117.7127	1.253	15	117.7127	1.570	15	117.1784	1.366	116	117.3166	2.593	174	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(O)	C(CNO)(NCC)(H)2	N(CC[6a]HH)(CCHH)(CCO)	C(CHHN)(NCC)(O)	C(CNO)(NCC)(H)2	N(CC[6a]HH)(CCHH)(CCO)	117.3604	1.380	24	117.3604	1.905	24	117.1784	1.366	116	117.3166	2.593	174	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(O)	C(CNO)(NCC)(H)2	N(CH3)2(CCO)	C(CHHN)(NCC)(O)	C(CNO)(NCC)(H)2	N(CH3)2(CCO)	116.7141	0.959	12	116.7141	0.920	12	117.1784	1.366	116	117.3166	2.593	174	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(O)	C(CNO)(NCC)(H)2	N(CHHN)(CH3)(CCO)	C(CHHN)(NCC)(O)	C(CNO)(NCC)(H)2	N(CHHN)(CH3)(CCO)	119.7295	0.418	2	119.7295	0.175	2	117.1784	1.366	116	117.3166	2.593	174	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(O)	C(CNO)(NCH)(H)2	N(CCCH)(CH3)(CCO)	C(CHHN)(NCC)(O)	C(CNO)(NCH)(H)2	N(CCCH)(CH3)(CCO)	116.3430	0.000	1	116.3430	0.000	1	117.1784	1.366	116	117.3166	2.593	174	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(O)	C(CNO)(NCH)(H)2	N(CCHH)(CC3)(CCO)	C(CHHN)(NCC)(O)	C(CNO)(NCH)(H)2	N(CCHH)(CC3)(CCO)	117.6870	0.000	1	117.6870	0.000	1	117.1784	1.366	116	117.3166	2.593	174	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(O)	C(CNO)(NCH)(H)2	N(CCHH)(CH3)(CCO)	C(CHHN)(NCC)(O)	C(CNO)(NCH)(H)2	N(CCHH)(CH3)(CCO)	115.4490	0.000	1	115.4490	0.000	1	117.1784	1.366	116	117.3166	2.593	174	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(O)	C(CNO)(NCH)(H)2	N(CCHH)2(CCO)	C(CHHN)(NCC)(O)	C(CNO)(NCH)(H)2	N(CCHH)2(CCO)	118.3150	0.000	1	118.3150	0.000	1	117.1784	1.366	116	117.3166	2.593	174	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(O)	C(CNO)(NCS)(H)2	N(CCHH)2(CCO)	C(CHHN)(NCC)(O)	C(CNO)(NCS)(H)2	N(CCHH)2(CCO)	117.0060	0.734	2	117.0060	0.539	2	117.1784	1.366	116	117.3166	2.593	174	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:O-1:	C[5]-3:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CC[5]HH)(NCC)(O)	C(C[5]N[5,6]C[5])(CNO)(H)2	N(CCHH)2(CCO)	C(CC[5]HH)(NCC)(O)	C(C[5]N[5,6]C[5])(CNO)(H)2	N(CCHH)2(CCO)	116.2590	0.000	1	116.2590	0.000	1	116.2590	0.000	1	117.3166	2.593	174	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:O-1:	C[5a]-3:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CC[5a]HH)(NCC)(O)	C(C[5a]C[5a]S[5a])(CNO)(H)2	N(CCCH)2(CCO)	C(CC[5a]HH)(NCC)(O)	C(C[5a]C[5a]S[5a])(CNO)(H)2	N(CCCH)2(CCO)	118.9080	0.000	1	118.9080	0.000	1	118.9080	0.000	1	117.3166	2.593	174	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CC[6a]HH)(NCC)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CCCH)(CCHH)(CCO)	C(CC[6a]HH)(NCC)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CCCH)(CCHH)(CCO)	118.5050	2.191	3	118.5050	4.802	3	117.8436	2.945	14	117.3166	2.593	174	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CC[6a]HH)(NCC)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CCHH)2(CCO)	C(CC[6a]HH)(NCC)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CCHH)2(CCO)	116.9492	0.419	5	116.9492	0.176	5	117.8436	2.945	14	117.3166	2.593	174	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CC[6a]HH)(NCC)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CC[6a]CH)(CH3)(CCO)	C(CC[6a]HH)(NCC)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CC[6a]CH)(CH3)(CCO)	122.1300	0.000	1	122.1300	0.000	1	117.8436	2.945	14	117.3166	2.593	174	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CC[6a]HH)(NCC)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CC[6a]HH)(CCCH)(CCO)	C(CC[6a]HH)(NCC)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CC[6a]HH)(CCCH)(CCO)	118.5950	0.000	1	118.5950	0.000	1	117.8436	2.945	14	117.3166	2.593	174	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CC[6a]HH)(NCC)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CH3)2(CCO)	C(CC[6a]HH)(NCC)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CH3)2(CCO)	117.8180	0.000	1	117.8180	0.000	1	117.8436	2.945	14	117.3166	2.593	174	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CC[6a]HH)(NCC)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CSeHH)2(CCO)	C(CC[6a]HH)(NCC)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(CSeHH)2(CCO)	117.0023	0.896	3	117.0023	0.803	3	117.8436	2.945	14	117.3166	2.593	174	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	S-4:C-4:C-3:	C(CC[6a]HH)(NCS)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(SC[6a]OO)(CCHH)(CCO)	C(CC[6a]HH)(NCS)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(SC[6a]OO)(CCHH)(CCO)	117.6820	0.379	3	117.6820	0.144	3	117.0320	1.786	4	117.3166	2.593	174	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	S-4:C-4:C-3:	C(CC[6a]HH)(NCS)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(SC[6a]OO)(CC[6]HH)(CCO)	C(CC[6a]HH)(NCS)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(SC[6a]OO)(CC[6]HH)(CCO)	115.0820	0.000	1	115.0820	0.000	1	117.0320	1.786	4	117.3166	2.593	174	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:O-1:	N-3:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(O)	C(NC[6a]C)(CNO)(H)2	N(CCHH)2(CCO)	C(CHHN)(NCC)(O)	C(NC[6a]C)(CNO)(H)2	N(CCHH)2(CCO)	116.3645	0.316	4	116.3645	0.100	4	116.2924	0.101	5	117.3166	2.593	174	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:O-1:	N-3:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(O)	C(NC[6a]C)(CNO)(H)2	N(CC[6a]CH)(CCHH)(CCO)	C(CHHN)(NCC)(O)	C(NC[6a]C)(CNO)(H)2	N(CC[6a]CH)(CCHH)(CCO)	116.0040	0.000	1	116.0040	0.000	1	116.2924	0.101	5	117.3166	2.593	174	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:O-1:	N[5]-3:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CN[5]HH)(NCC)(O)	C(N[5]C[5]2)(CNO)(H)2	N(CCHH)2(CCO)	C(CN[5]HH)(NCC)(O)	C(N[5]C[5]2)(CNO)(H)2	N(CCHH)2(CCO)	117.2330	1.194	5	117.2330	1.427	5	116.8395	1.272	12	117.3166	2.593	174	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:O-1:	N[5]-3:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CN[5]HH)(NCC)(O)	C(N[5]C[5]2)(CNO)(H)2	N(CC[6a]HH)(CCCH)(CCO)	C(CN[5]HH)(NCC)(O)	C(N[5]C[5]2)(CNO)(H)2	N(CC[6a]HH)(CCCH)(CCO)	116.5584	1.077	7	116.5584	1.160	7	116.8395	1.272	12	117.3166	2.593	174	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:O-1:	N[6]-3:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CN[6]HH)(NCC)(O)	C(N[6]C[6]2)(CNO)(H)2	N(CC[6a]2H)(CC[6a]CH)(CCO)	C(CN[6]HH)(NCC)(O)	C(N[6]C[6]2)(CNO)(H)2	N(CC[6a]2H)(CC[6a]CH)(CCO)	117.7585	0.530	2	117.7585	0.281	2	117.7585	0.281	2	117.3166	2.593	174	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:O-1:	N[6a]-3:C-3:H-1:H-1:	C[5]-4:C-4:C-3:	C(CN[6a]HH)(NC[5]C)(O)	C(N[6a]C[6a]2)(CNO)(H)2	N(C[5]C[5]2H)(CCHH)(CCO)	C(CN[6a]HH)(NC[5]C)(O)	C(N[6a]C[6a]2)(CNO)(H)2	N(C[5]C[5]2H)(CCHH)(CCO)	116.0040	0.395	2	116.0040	0.156	2	116.0040	0.156	2	117.3166	2.593	174	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:O-1:	S-3:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHS)(NCC)(O)	C(SC[5,6]C)(CNO)(H)2	N(CCHH)2(CCO)	C(CHHS)(NCC)(O)	C(SC[5,6]C)(CNO)(H)2	N(CCHH)2(CCO)	117.0510	0.000	1	117.0510	0.000	1	117.6164	0.797	5	117.3166	2.593	174	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:O-1:	S-3:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHS)(NCC)(O)	C(SPdC)(CNO)(H)2	N(CCCH)2(CCO)	C(CHHS)(NCC)(O)	C(SPdC)(CNO)(H)2	N(CCCH)2(CCO)	117.5210	0.373	2	117.5210	0.139	2	117.6164	0.797	5	117.3166	2.593	174	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:O-1:	S-3:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHS)(NCC)(O)	C(SPdC)(CNO)(H)2	N(CCHH)2(CCO)	C(CHHS)(NCC)(O)	C(SPdC)(CNO)(H)2	N(CCHH)2(CCO)	117.9945	1.558	2	117.9945	2.427	2	117.6164	0.797	5	117.3166	2.593	174	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:S-1:	C-3:N-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(S)	C(CNS)(NCC)(H)2	N(CH3)2(CCS)	C(CHHN)(NCC)(S)	C(CNS)(NCC)(H)2	N(CH3)2(CCS)	115.6915	0.904	6	115.6915	0.817	6	115.6915	0.817	6	117.3166	2.593	174	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:S-1:	C[6a]-3:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CC[6a]HH)(NCC)(S)	C(C[6a]C[6a]2)(CNS)(H)2	N(CH3)2(CCS)	C(CC[6a]HH)(NCC)(S)	C(C[6a]C[6a]2)(CNS)(H)2	N(CH3)2(CCS)	117.4410	0.000	1	117.4410	0.000	1	117.4410	0.000	1	117.3166	2.593	174	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:2:1:	3:1:1:	C-4:N-3:O-1:	C-3:C-3:O-2:H-1:	C-3:H-1:H-1:	C(CCHO)(NHH)(O)	C(CCH)(CNO)(OSi)(H)	N(CCO)(H)2	C(CCHO)(NHH)(O)	C(CCH)(CNO)(OSi)(H)	N(CCO)(H)2	115.6470	0.000	1	115.6470	0.000	1	115.6470	0.000	1	117.0227	1.392	26	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:2:1:	3:1:1:	C-4:N-3:O-1:	C[5a]-3:C-3:C-2:H-1:	C-3:H-1:H-1:	C(CC[5a]CH)(NHH)(O)	C(C[5a]C[5a]2)(CNO)(CN)(H)	N(CCO)(H)2	C(CC[5a]CH)(NHH)(O)	C(C[5a]C[5a]2)(CNO)(CN)(H)	N(CCO)(H)2	115.3070	0.515	2	115.3070	0.265	2	115.3070	0.265	2	117.0227	1.392	26	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:2:1:	3:1:1:	C-4:N-3:O-1:	C[6a]-3:C-3:C-2:H-1:	C-3:H-1:H-1:	C(CC[6a]CH)(NHH)(O)	C(C[6a]C[6a,6a]C[6a])(CNO)(CN)(H)	N(CCO)(H)2	C(CC[6a]CH)(NHH)(O)	C(C[6a]C[6a,6a]C[6a])(CNO)(CN)(H)	N(CCO)(H)2	113.6180	0.000	1	113.6180	0.000	1	113.6180	0.000	1	117.0227	1.392	26	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:2:1:	3:1:1:	C-4:N-3:O-1:	C[6a]-3:C-3:N-2:H-1:	C-3:H-1:H-1:	C(CC[6a]HN)(NHH)(O)	C(C[6a]C[6a]2)(CNO)(NC)(H)	N(CCO)(H)2	C(CC[6a]HN)(NHH)(O)	C(C[6a]C[6a]2)(CNO)(NC)(H)	N(CCO)(H)2	117.3959	0.759	22	117.3959	0.576	22	117.3959	0.576	22	117.0227	1.392	26	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:2:1:	3:3:1:	C-4:N-3:O-1:	C[6]-3:C-3:C-2:H-1:	C[6a]-3:C-3:H-1:	C(CC[6]CH)(NC[6a]H)(O)	C(C[6]C[6]2)(CNO)(CN)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6]CH)(NC[6a]H)(O)	C(C[6]C[6]2)(CNO)(CN)(H)	N(C[6a]C[6a]2)(CCO)(H)	111.7120	0.000	1	111.7120	0.000	1	111.7120	0.000	1	114.8499	1.599	12	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:2:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:O-2:H-1:	C-3:C-3:H-1:	C(CC[6a]HO)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(OC)(H)	N(CCH)(CCO)(H)	C(CC[6a]HO)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(OC)(H)	N(CCH)(CCO)(H)	115.5008	0.775	5	115.5008	0.601	5	115.5008	0.601	5	114.8499	1.599	12	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:2:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C-3:H-1:	C(CC[6a]HO)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CNO)(OC)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]HO)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CNO)(OC)(H)	N(C[6a]C[6a]2)(CCO)(H)	114.8853	0.176	3	114.8853	0.031	3	114.8305	0.644	6	114.8499	1.599	12	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:2:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C-3:H-1:	C(CC[6a]HO)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CNO)(OH)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]HO)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CNO)(OH)(H)	N(C[6a]C[6a]2)(CCO)(H)	114.7757	1.253	3	114.7757	1.571	3	114.8305	0.644	6	114.8499	1.599	12	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:2:1:	3:3:3:	C-4:N-3:O-1:	C[6]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(CC[6]HO)(NC[6a]2)(O)	C(C[6]C[6]N[6])(CNO)(OH)(H)	N(C[6a]C[6a]2)2(CCO)	C(CC[6]HO)(NC[6a]2)(O)	C(C[6]C[6]N[6])(CNO)(OH)(H)	N(C[6a]C[6a]2)2(CCO)	116.0020	0.225	2	116.0020	0.051	2	116.0020	0.051	2	116.5947	1.079	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:2:1:	3:3:3:	C-4:N-3:O-1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]HO)(NC[6a]2)(O)	C(C[6a]C[6a]N[6a])(CNO)(OH)(H)	N(C[6a]C[6a]2)2(CCO)	C(CC[6a]HO)(NC[6a]2)(O)	C(C[6a]C[6a]N[6a])(CNO)(OH)(H)	N(C[6a]C[6a]2)2(CCO)	117.7800	0.000	1	117.7800	0.000	1	117.7800	0.000	1	116.5947	1.079	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:2:1:	3:4:3:	C-4:N-3:O-1:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:C-4:C-3:	C(CC[6a]HO)(NC[6a]C)(O)	C(C[6a]C[6a]2)(CNO)(OC)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C(CC[6a]HO)(NC[6a]C)(O)	C(C[6a]C[6a]2)(CNO)(OC)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	115.9075	0.050	2	115.9075	0.003	2	115.9075	0.003	2	115.9075	0.003	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:2:1:	4:3:1:	C-4:N-3:O-1:	C-3:C-3:C-2:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	C(CNO)(CNS)(CN)(H)	N(CH3)(CCO)(H)	C(CCCH)(NCH)(O)	C(CNO)(CNS)(CN)(H)	N(CH3)(CCO)(H)	114.5050	0.443	3	114.5050	0.196	3	114.8111	0.977	7	114.9204	1.494	31	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:2:1:	4:3:1:	C-4:N-3:O-1:	C-3:C-3:C-2:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	C(CNO)2(CN)(H)	N(CC3)(CCO)(H)	C(CCCH)(NCH)(O)	C(CNO)2(CN)(H)	N(CC3)(CCO)(H)	113.9600	0.304	2	113.9600	0.092	2	114.8111	0.977	7	114.9204	1.494	31	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:2:1:	4:3:1:	C-4:N-3:O-1:	C-3:C-3:C-2:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	C(CNO)2(CN)(H)	N(CH3)(CCO)(H)	C(CCCH)(NCH)(O)	C(CNO)2(CN)(H)	N(CH3)(CCO)(H)	116.1215	0.460	2	116.1215	0.212	2	114.8111	0.977	7	114.9204	1.494	31	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:2:1:	4:3:1:	C-4:N-3:O-1:	C-3:C-3:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(NCH)(O)	C(CC[6a]C)(CNO)(OH)(H)	N(CC[6a]CH)(CCO)(H)	C(CCHO)(NCH)(O)	C(CC[6a]C)(CNO)(OH)(H)	N(CC[6a]CH)(CCO)(H)	115.6410	0.000	1	115.6410	0.000	1	115.4825	0.050	2	114.9204	1.494	31	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:2:1:	4:3:1:	C-4:N-3:O-1:	C-3:C-3:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(NCH)(O)	C(CSiC)(CNO)(OH)(H)	N(CC[6a]CH)(CCO)(H)	C(CCHO)(NCH)(O)	C(CSiC)(CNO)(OH)(H)	N(CC[6a]CH)(CCO)(H)	115.3240	0.000	1	115.3240	0.000	1	115.4825	0.050	2	114.9204	1.494	31	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:2:1:	4:3:1:	C-4:N-3:O-1:	C[5a]-3:C-3:O-2:H-1:	C-4:C-3:H-1:	C(CC[5a]HO)(NCH)(O)	C(C[5a]C[5a,6a]C[5a])(CNO)(OH)(H)	N(CH3)(CCO)(H)	C(CC[5a]HO)(NCH)(O)	C(C[5a]C[5a,6a]C[5a])(CNO)(OH)(H)	N(CH3)(CCO)(H)	115.9350	0.000	1	115.9350	0.000	1	114.4560	1.769	5	114.9204	1.494	31	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:2:1:	4:3:1:	C-4:N-3:O-1:	C[5a]-3:C-3:O-2:H-1:	C-4:C-3:H-1:	C(CC[5a]HO)(NCH)(O)	C(C[5a]C[5a]O[5a])(CNO)(OC)(H)	N(CC3)(CCO)(H)	C(CC[5a]HO)(NCH)(O)	C(C[5a]C[5a]O[5a])(CNO)(OC)(H)	N(CC3)(CCO)(H)	114.0863	1.203	4	114.0863	1.447	4	114.4560	1.769	5	114.9204	1.494	31	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:2:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:N-2:H-1:	C[6]-4:C-3:H-1:	C(CC[6a]HN)(NC[6]H)(O)	C(C[6a]C[6a]2)(CNO)(NC)(H)	N(C[6]C[6]2H)(CCO)(H)	C(CC[6a]HN)(NC[6]H)(O)	C(C[6a]C[6a]2)(CNO)(NC)(H)	N(C[6]C[6]2H)(CCO)(H)	115.2580	0.000	1	115.2580	0.000	1	115.2580	0.000	1	114.9204	1.494	31	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:2:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:H-1:	C(CC[6a]HO)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(OC)(H)	N(CC3)(CCO)(H)	C(CC[6a]HO)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(OC)(H)	N(CC3)(CCO)(H)	116.1300	0.873	3	116.1300	0.762	3	116.0646	0.680	8	114.9204	1.494	31	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:2:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:H-1:	C(CC[6a]HO)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(OC)(H)	N(CCHH)(CCO)(H)	C(CC[6a]HO)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(OC)(H)	N(CCHH)(CCO)(H)	117.5590	0.000	1	117.5590	0.000	1	116.0646	0.680	8	114.9204	1.494	31	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:2:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:H-1:	C(CC[6a]HO)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(OC)(H)	N(CC[6a]2H)(CCO)(H)	C(CC[6a]HO)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(OC)(H)	N(CC[6a]2H)(CCO)(H)	115.2990	0.000	1	115.2990	0.000	1	116.0646	0.680	8	114.9204	1.494	31	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:2:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:H-1:	C(CC[6a]HO)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(OC)(H)	N(CSnCH)(CCO)(H)	C(CC[6a]HO)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(OC)(H)	N(CSnCH)(CCO)(H)	115.8090	0.000	1	115.8090	0.000	1	116.0646	0.680	8	114.9204	1.494	31	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:2:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:H-1:	C(CC[6a]HO)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(OH)(H)	N(CCCH)(CCO)(H)	C(CC[6a]HO)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(OH)(H)	N(CCCH)(CCO)(H)	115.4940	0.000	1	115.4940	0.000	1	116.0646	0.680	8	114.9204	1.494	31	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:2:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-3:H-1:	C(CC[6a]HO)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(OH)(H)	N(CCHH)(CCO)(H)	C(CC[6a]HO)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(OH)(H)	N(CCHH)(CCO)(H)	115.9660	0.000	1	115.9660	0.000	1	116.0646	0.680	8	114.9204	1.494	31	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:2:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:O-2:H-1:	C[5]-4:C-3:H-1:	C(CC[6a]HO)(NC[5]H)(O)	C(C[6a]C[6a]2)(CNO)(OC)(H)	N(C[5]C[5]2H)(CCO)(H)	C(CC[6a]HO)(NC[5]H)(O)	C(C[6a]C[6a]2)(CNO)(OC)(H)	N(C[5]C[5]2H)(CCO)(H)	115.4470	0.000	1	115.4470	0.000	1	115.4470	0.000	1	114.9204	1.494	31	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:2:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:O-2:H-1:	C[6]-4:C-3:H-1:	C(CC[6a]HO)(NC[6]H)(O)	C(C[6a]C[6a]2)(CNO)(OC)(H)	N(C[6]C[6]2H)(CCO)(H)	C(CC[6a]HO)(NC[6]H)(O)	C(C[6a]C[6a]2)(CNO)(OC)(H)	N(C[6]C[6]2H)(CCO)(H)	115.0740	0.000	1	115.0740	0.000	1	115.0740	0.000	1	114.9204	1.494	31	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:2:1:	4:3:1:	C-4:N-3:S-1:	C-3:C-3:C-2:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(S)	C(CNO)(CNS)(CN)(H)	N(CCCH)(CCS)(H)	C(CCCH)(NCH)(S)	C(CNO)(CNS)(CN)(H)	N(CCCH)(CCS)(H)	114.0490	0.000	1	114.0490	0.000	1	113.5522	0.633	6	114.9204	1.494	31	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:2:1:	4:3:1:	C-4:N-3:S-1:	C-3:C-3:C-2:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(S)	C(CNO)(CNS)(CN)(H)	N(CH3)(CCS)(H)	C(CCCH)(NCH)(S)	C(CNO)(CNS)(CN)(H)	N(CH3)(CCS)(H)	113.4528	0.847	5	113.4528	0.717	5	113.5522	0.633	6	114.9204	1.494	31	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:2:1:	4:3:3:	C-4:N-3:O-1:	C-3:C-3:S-2:H-1:	C-4:C-3:C-3:	C(CCHS)(NCC)(O)	C(CC[6a]O)(CNO)(SC)(H)	N(CC[6a]HH)(CCO)2	C(CCHS)(NCC)(O)	C(CC[6a]O)(CNO)(SC)(H)	N(CC[6a]HH)(CCO)2	119.7545	0.271	2	119.7545	0.073	2	119.7545	0.073	2	119.7545	0.073	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:2:1:	4:4:3:	C-4:N-3:O-1:	C-3:C-3:C-2:H-1:	C-4:C-4:C-3:	C(CCCH)(NCC)(O)	C(CNO)(CNS)(CN)(H)	N(CH3)2(CCO)	C(CCCH)(NCC)(O)	C(CNO)(CNS)(CN)(H)	N(CH3)2(CCO)	117.5010	0.217	3	117.5010	0.047	3	117.5010	0.047	3	117.5648	0.048	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:2:1:	4:4:3:	C-4:N-3:O-1:	C[6a]-3:C-3:O-2:H-1:	C-4:C-4:C-3:	C(CC[6a]HO)(NCC)(O)	C(C[6a]C[6a]2)(CNO)(OSi)(H)	N(CH3)2(CCO)	C(CC[6a]HO)(NCC)(O)	C(C[6a]C[6a]2)(CNO)(OSi)(H)	N(CH3)2(CCO)	117.7560	0.000	1	117.7560	0.000	1	117.7560	0.000	1	117.5648	0.048	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	3:1:1:	C-4:N-3:O-1:	C[6a]-3:C-3:C-3:H-1:	C-3:H-1:H-1:	C(CC[6a]CH)(NHH)(O)	C(C[6a]C[6a]2)(CNO)2(H)	N(CCO)(H)2	C(CC[6a]CH)(NHH)(O)	C(C[6a]C[6a]2)(CNO)2(H)	N(CCO)(H)2	116.9415	1.439	2	116.9415	2.071	2	116.9415	2.071	2	116.7708	1.349	18	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	3:1:1:	C-4:N-3:O-1:	C[6a]-3:C-3:N-3:H-1:	C-3:H-1:H-1:	C(CC[6a]HN)(NHH)(O)	C(C[6a]C[6a]2)(CNO)(NCH)(H)	N(CCO)(H)2	C(CC[6a]HN)(NHH)(O)	C(C[6a]C[6a]2)(CNO)(NCH)(H)	N(CCO)(H)2	115.3430	1.693	2	115.3430	2.866	2	116.1447	3.361	3	116.7708	1.349	18	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	3:1:1:	C-4:N-3:O-1:	C[6a]-3:C-3:N-3:H-1:	C-3:H-1:H-1:	C(CC[6a]HN)(NHH)(O)	C(C[6a]C[6a]2)(CNO)(NHN)(H)	N(CCO)(H)2	C(CC[6a]HN)(NHH)(O)	C(C[6a]C[6a]2)(CNO)(NHN)(H)	N(CCO)(H)2	117.7480	0.000	1	117.7480	0.000	1	116.1447	3.361	3	116.7708	1.349	18	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	3:1:1:	C-4:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:H-1:	C-3:H-1:H-1:	C(CC[6a]2H)(NHH)(O)	C(C[6a]C[6a]2)2(CNO)(H)	N(CCO)(H)2	C(CC[6a]2H)(NHH)(O)	C(C[6a]C[6a]2)2(CNO)(H)	N(CCO)(H)2	117.0632	0.852	12	117.0632	0.727	12	117.0632	0.727	12	116.7708	1.349	18	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	3:1:1:	C-4:N-3:O-1:	C[6a]-3:N-3:C-3:H-1:	C-3:H-1:H-1:	C(CC[6a]HN)(NHH)(O)	C(C[6a]C[6a]2)(NC[6a]H)(CNO)(H)	N(CCO)(H)2	C(CC[6a]HN)(NHH)(O)	C(C[6a]C[6a]2)(NC[6a]H)(CNO)(H)	N(CCO)(H)2	114.8000	0.000	1	114.8000	0.000	1	114.8000	0.000	1	116.7708	1.349	18	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	3:2:1:	C-4:N-3:O-1:	C[6a]-3:C-3:N-3:H-1:	C-3:N-2:H-1:	C(CC[6a]HN)(NHN)(O)	C(C[6a]C[6a,6a]C[6a])(CNO)(NCH)(H)	N(CCO)(NC)(H)	C(CC[6a]HN)(NHN)(O)	C(C[6a]C[6a,6a]C[6a])(CNO)(NCH)(H)	N(CCO)(NC)(H)	112.7410	2.121	2	112.7410	4.500	2	115.1912	5.508	8	115.1912	5.508	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	3:2:1:	C-4:N-3:O-1:	C[6a]-3:C-3:N-3:H-1:	C-3:N-2:H-1:	C(CC[6a]HN)(NHN)(O)	C(C[6a]C[6a]2)(CNO)(NCH)(H)	N(CCO)(NC)(H)	C(CC[6a]HN)(NHN)(O)	C(C[6a]C[6a]2)(CNO)(NCH)(H)	N(CCO)(NC)(H)	116.0080	1.900	6	116.0080	3.609	6	115.1912	5.508	8	115.1912	5.508	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	3:3:1:	C-4:N-3:O-1:	C-3:C-3:N-3:H-1:	C-3:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCH)(CNO)(NCH)(H)	N(CCC)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCH)(CNO)(NCH)(H)	N(CCC)(CCO)(H)	116.1340	0.000	1	116.1340	0.000	1	116.1340	0.000	1	114.9053	3.006	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	3:3:1:	C-4:N-3:O-1:	C[5a]-3:N[6]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CC[5a]N[6]H)(NC[6a]H)(O)	C(C[5a]N[5a]2)(N[6]C[6]2)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5a]N[6]H)(NC[6a]H)(O)	C(C[5a]N[5a]2)(N[6]C[6]2)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	118.3195	0.450	2	118.3195	0.203	2	118.3195	0.203	2	114.9053	3.006	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	3:3:1:	C-4:N-3:O-1:	C[6]-3:C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CC[6]CH)(NC[6a]H)(O)	C(C[6]C[6]2)(CC[6a]O)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6]CH)(NC[6a]H)(O)	C(C[6]C[6]2)(CC[6a]O)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	116.5072	0.728	4	116.5072	0.529	4	116.2292	0.784	5	114.9053	3.006	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	3:3:1:	C-4:N-3:O-1:	C[6]-3:C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CC[6]CH)(NC[6a]H)(O)	C(C[6]C[6]2)(CNO)(COO)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6]CH)(NC[6a]H)(O)	C(C[6]C[6]2)(CNO)(COO)(H)	N(C[6a]C[6a]2)(CCO)(H)	115.1170	0.000	1	115.1170	0.000	1	116.2292	0.784	5	114.9053	3.006	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C(CC[6a]HN)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CNO)(NCH)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]HN)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CNO)(NCH)(H)	N(C[6a]C[6a]2)(CCO)(H)	113.9250	0.000	1	113.9250	0.000	1	113.9250	0.000	1	114.9053	3.006	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]2H)(NCH)(O)	C(C[6a]C[6a]2)2(CNO)(H)	N(CCO)(CNS)(H)	C(CC[6a]2H)(NCH)(O)	C(C[6a]C[6a]2)2(CNO)(H)	N(CCO)(CNS)(H)	114.6873	0.717	3	114.6873	0.514	3	114.6873	0.514	3	114.9053	3.006	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C(CC[6a]2H)(NC[5a]H)(O)	C(C[6a]C[6a]2)2(CNO)(H)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(CC[6a]2H)(NC[5a]H)(O)	C(C[6a]C[6a]2)2(CNO)(H)	N(C[5a]N[5a]S[5a])(CCO)(H)	115.8370	0.000	1	115.8370	0.000	1	115.8370	0.000	1	114.9053	3.006	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CC[6a]2H)(NC[6a]H)(O)	C(C[6a]C[6a]2)2(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]2H)(NC[6a]H)(O)	C(C[6a]C[6a]2)2(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	114.6668	0.681	6	114.6668	0.464	6	114.6668	0.464	6	114.9053	3.006	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	3:3:1:	C-4:N-3:S-1:	N[5a]-3:C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CN[5a]CH)(NC[6a]H)(S)	C(N[5a]C[5a,6a]N[5a])(CCO)(CNS)(H)	N(C[6a]C[6a]2)(CCS)(H)	C(CN[5a]CH)(NC[6a]H)(S)	C(N[5a]C[5a,6a]N[5a])(CCO)(CNS)(H)	N(C[6a]C[6a]2)(CCS)(H)	111.6680	0.000	1	111.6680	0.000	1	112.8147	0.666	6	114.9053	3.006	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	3:3:1:	C-4:N-3:S-1:	N[5a]-3:C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CN[5a]CH)(NC[6a]H)(S)	C(N[5a]C[5a]N[5a])(CCO)(CNS)(H)	N(C[6a]C[6a]2)(CCS)(H)	C(CN[5a]CH)(NC[6a]H)(S)	C(N[5a]C[5a]N[5a])(CCO)(CNS)(H)	N(C[6a]C[6a]2)(CCS)(H)	113.0900	0.000	1	113.0900	0.000	1	112.8147	0.666	6	114.9053	3.006	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	3:3:1:	C-4:N-3:S-1:	N[5a]-3:C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CN[5a]CH)(NC[6a]H)(S)	C(N[5a]C[5a]N[5a])(CC[6a]O)(CNS)(H)	N(C[6a]C[6a]2)(CCS)(H)	C(CN[5a]CH)(NC[6a]H)(S)	C(N[5a]C[5a]N[5a])(CC[6a]O)(CNS)(H)	N(C[6a]C[6a]2)(CCS)(H)	113.0325	0.763	4	113.0325	0.583	4	112.8147	0.666	6	114.9053	3.006	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	3:3:3:	C-4:N-3:O-1:	C[6]-3:C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(CC[6]CH)(NC[6a]2)(O)	C(C[6]C[6]N[6])(CNO)2(H)	N(C[6a]C[6a]2)2(CCO)	C(CC[6]CH)(NC[6a]2)(O)	C(C[6]C[6]N[6])(CNO)2(H)	N(C[6a]C[6a]2)2(CCO)	115.7595	0.305	2	115.7595	0.093	2	115.7595	0.093	2	115.7595	0.093	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	3:4:3:	C-4:N-3:O-1:	C[5a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:S-4:C-3:	C(CC[5a]C[6a]H)(NC[6a]S)(O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CNO)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C(CC[5a]C[6a]H)(NC[6a]S)(O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CNO)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	117.3230	0.324	4	117.3230	0.105	4	117.3230	0.105	4	117.0691	0.192	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	3:4:3:	C-4:N-3:O-1:	C[6a]-3:C-3:N-3:F-1:	C[6a]-3:C-4:C-3:	C(CC[6a]FN)(NC[6a]C)(O)	C(C[6a]C[6a]2)(CNO)(NOO)(F)	N(C[6a]C[6a]2)(CH3)(CCO)	C(CC[6a]FN)(NC[6a]C)(O)	C(C[6a]C[6a]2)(CNO)(NOO)(F)	N(C[6a]C[6a]2)(CH3)(CCO)	117.0725	0.088	2	117.0725	0.008	2	117.0725	0.008	2	117.0691	0.192	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	3:4:3:	C-4:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C(CC[6a]2H)(NC[6a]C)(O)	C(C[6a]C[6a]2)2(CNO)(H)	N(C[6a]C[6a]2)(CCCH)(CCO)	C(CC[6a]2H)(NC[6a]C)(O)	C(C[6a]C[6a]2)2(CNO)(H)	N(C[6a]C[6a]2)(CCCH)(CCO)	117.3630	0.000	1	117.3630	0.000	1	117.3630	0.000	1	117.0691	0.192	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	3:4:3:	C-4:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:H-1:	C[6a]-3:S-4:C-3:	C(CC[6a]2H)(NC[6a]S)(O)	C(C[6a]C[6a]2)2(CNO)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C(CC[6a]2H)(NC[6a]S)(O)	C(C[6a]C[6a]2)2(CNO)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	116.4110	0.000	2	116.4110	0.000	2	116.4110	0.000	2	117.0691	0.192	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-3:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCH)(CNO)(NCH)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCH)(CNO)(NCH)(H)	N(CCCH)(CCO)(H)	117.8070	0.100	2	117.8070	0.010	2	117.0083	1.919	3	114.6728	1.680	58	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-3:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[6a]N)(CNO)(NCC)(H)	N(CC[6a]HH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[6a]N)(CNO)(NCC)(H)	N(CC[6a]HH)(CCO)(H)	115.4110	0.000	1	115.4110	0.000	1	117.0083	1.919	3	114.6728	1.680	58	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-3:N-3:C-3:F-1:	C-4:C-3:H-1:	C(CCFN)(NCH)(O)	C(CC[6a]O)(NC[6a]C)(CNO)(F)	N(CC3)(CCO)(H)	C(CCFN)(NCH)(O)	C(CC[6a]O)(NC[6a]C)(CNO)(F)	N(CC3)(CCO)(H)	115.4205	0.136	2	115.4205	0.019	2	115.4205	0.019	2	114.6728	1.680	58	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:3:1:	C-4:N-3:O-1:	C[5a]-3:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CC[5a]HN)(NCH)(O)	C(C[5a]C[5a,6a]N[5a])(CNO)(NCC)(H)	N(CC3)(CCO)(H)	C(CC[5a]HN)(NCH)(O)	C(C[5a]C[5a,6a]N[5a])(CNO)(NCC)(H)	N(CC3)(CCO)(H)	116.1340	0.000	1	116.1340	0.000	1	115.0560	1.010	4	114.6728	1.680	58	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:3:1:	C-4:N-3:O-1:	C[5a]-3:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CC[5a]HN)(NCH)(O)	C(C[5a]C[5a]2)(CNO)(NCN)(H)	N(CCHH)(CCO)(H)	C(CC[5a]HN)(NCH)(O)	C(C[5a]C[5a]2)(CNO)(NCN)(H)	N(CCHH)(CCO)(H)	113.7030	0.000	1	113.7030	0.000	1	115.0560	1.010	4	114.6728	1.680	58	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:3:1:	C-4:N-3:O-1:	C[5a]-3:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CC[5a]HN)(NCH)(O)	C(C[5a]C[5a]S[5a])(CNO)(NCC)(H)	N(CC3)(CCO)(H)	C(CC[5a]HN)(NCH)(O)	C(C[5a]C[5a]S[5a])(CNO)(NCC)(H)	N(CC3)(CCO)(H)	115.1935	0.028	2	115.1935	0.001	2	115.0560	1.010	4	114.6728	1.680	58	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:3:1:	C-4:N-3:O-1:	C[5a]-3:N-3:C-3:H-1:	C-4:C-3:H-1:	C(CC[5a]HN)(NCH)(O)	C(C[5a]C[5a,6a]C[5a])(NC[6a]C)(CNO)(H)	N(CC[6a]HH)(CCO)(H)	C(CC[5a]HN)(NCH)(O)	C(C[5a]C[5a,6a]C[5a])(NC[6a]C)(CNO)(H)	N(CC[6a]HH)(CCO)(H)	115.3820	0.000	1	115.3820	0.000	1	114.3140	2.281	2	114.6728	1.680	58	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:3:1:	C-4:N-3:O-1:	C[5a]-3:N-3:C-3:H-1:	C-4:C-3:H-1:	C(CC[5a]HN)(NCH)(O)	C(C[5a]C[5a]N[5a])(NC[6a]C)(CNO)(H)	N(CC3)(CCO)(H)	C(CC[5a]HN)(NCH)(O)	C(C[5a]C[5a]N[5a])(NC[6a]C)(CNO)(H)	N(CC3)(CCO)(H)	113.2460	0.000	1	113.2460	0.000	1	114.3140	2.281	2	114.6728	1.680	58	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:3:1:	C-4:N-3:O-1:	C[5a]-3:N[6]-3:C-3:H-1:	C-4:C-3:H-1:	C(CC[5a]N[6]H)(NCH)(O)	C(C[5a]C[5a,6a]C[5a])(N[6]C[6]2)(CNO)(H)	N(CCCH)(CCO)(H)	C(CC[5a]N[6]H)(NCH)(O)	C(C[5a]C[5a,6a]C[5a])(N[6]C[6]2)(CNO)(H)	N(CCCH)(CCO)(H)	114.5430	0.313	2	114.5430	0.098	2	114.5430	0.098	2	114.6728	1.680	58	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:3:1:	C-4:N-3:O-1:	C[6]-3:C-3:C-3:H-1:	C-4:C-3:H-1:	C(CC[6]CH)(NCH)(O)	C(C[6]C[6]N[6])(CNO)2(H)	N(CCHH)(CCO)(H)	C(CC[6]CH)(NCH)(O)	C(C[6]C[6]N[6])(CNO)2(H)	N(CCHH)(CCO)(H)	115.1617	0.803	4	115.1617	0.644	4	115.1617	0.644	4	114.6728	1.680	58	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CC[6a]HN)(NCH)(O)	C(C[6a]C[6a,6a]C[6a])(CNO)(NCC)(H)	N(CC3)(CCO)(H)	C(CC[6a]HN)(NCH)(O)	C(C[6a]C[6a,6a]C[6a])(CNO)(NCC)(H)	N(CC3)(CCO)(H)	114.4740	1.243	2	114.4740	1.545	2	114.5483	1.535	11	114.6728	1.680	58	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CC[6a]HN)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(NCC)(H)	N(CC3)(CCO)(H)	C(CC[6a]HN)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(NCC)(H)	N(CC3)(CCO)(H)	113.9040	1.408	5	113.9040	1.981	5	114.5483	1.535	11	114.6728	1.680	58	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CC[6a]HN)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(NCH)(H)	N(CCCH)(CCO)(H)	C(CC[6a]HN)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(NCH)(H)	N(CCCH)(CCO)(H)	115.1980	0.506	3	115.1980	0.256	3	114.5483	1.535	11	114.6728	1.680	58	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CC[6a]HN)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(NCH)(H)	N(CC[6a]CH)(CCO)(H)	C(CC[6a]HN)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(NCH)(H)	N(CC[6a]CH)(CCO)(H)	115.9690	0.000	1	115.9690	0.000	1	114.5483	1.535	11	114.6728	1.680	58	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:N-3:H-1:	C[6]-4:C-3:H-1:	C(CC[6a]HN)(NC[6]H)(O)	C(C[6a]C[6a]2)(CNO)(NCC)(H)	N(C[6]C[6]2H)(CCO)(H)	C(CC[6a]HN)(NC[6]H)(O)	C(C[6a]C[6a]2)(CNO)(NCC)(H)	N(C[6]C[6]2H)(CCO)(H)	113.4340	0.000	1	113.4340	0.000	1	115.1760	1.676	4	114.6728	1.680	58	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:N-3:H-1:	C[6]-4:C-3:H-1:	C(CC[6a]HN)(NC[6]H)(O)	C(C[6a]C[6a]2)(CNO)(NCH)(H)	N(C[6]C[6]2H)(CCO)(H)	C(CC[6a]HN)(NC[6]H)(O)	C(C[6a]C[6a]2)(CNO)(NCH)(H)	N(C[6]C[6]2H)(CCO)(H)	115.7567	0.700	3	115.7567	0.490	3	115.1760	1.676	4	114.6728	1.680	58	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:N-3:C-3:H-1:	C-4:C-3:H-1:	C(CC[6a]HN)(NCH)(O)	C(C[6a]C[6a,6a]2)(NC[6a]C)(CNO)(H)	N(CC3)(CCO)(H)	C(CC[6a]HN)(NCH)(O)	C(C[6a]C[6a,6a]2)(NC[6a]C)(CNO)(H)	N(CC3)(CCO)(H)	112.4160	0.000	1	112.4160	0.000	1	114.0830	3.987	5	114.6728	1.680	58	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:N-3:C-3:H-1:	C-4:C-3:H-1:	C(CC[6a]HN)(NCH)(O)	C(C[6a]C[6a]2)(NC[6a]C)(CNO)(H)	N(CC3)(CCO)(H)	C(CC[6a]HN)(NCH)(O)	C(C[6a]C[6a]2)(NC[6a]C)(CNO)(H)	N(CC3)(CCO)(H)	114.7333	2.431	3	114.7333	5.911	3	114.0830	3.987	5	114.6728	1.680	58	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:N-3:C-3:H-1:	C-4:C-3:H-1:	C(CC[6a]HN)(NCH)(O)	C(C[6a]C[6a]2)(NC[6a]C)(CNO)(H)	N(CC[6a]HH)(CCO)(H)	C(CC[6a]HN)(NCH)(O)	C(C[6a]C[6a]2)(NC[6a]C)(CNO)(H)	N(CC[6a]HH)(CCO)(H)	113.7990	0.000	1	113.7990	0.000	1	114.0830	3.987	5	114.6728	1.680	58	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:N-3:C-3:H-1:	C[6]-4:C-3:H-1:	C(CC[6a]HN)(NC[6]H)(O)	C(C[6a]C[6a]2)(NC[6a]C)(CNO)(H)	N(C[6]C[6]2H)(CCO)(H)	C(CC[6a]HN)(NC[6]H)(O)	C(C[6a]C[6a]2)(NC[6a]C)(CNO)(H)	N(C[6]C[6]2H)(CCO)(H)	115.3040	0.000	1	115.3040	0.000	1	115.3040	0.000	1	114.6728	1.680	58	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:N[4]-3:C-3:H-1:	C-4:C-3:H-1:	C(CC[6a]N[4]H)(NCH)(O)	C(C[6a]C[6a]2)(N[4]C[4]2)(CNO)(H)	N(CH3)(CCO)(H)	C(CC[6a]N[4]H)(NCH)(O)	C(C[6a]C[6a]2)(N[4]C[4]2)(CNO)(H)	N(CH3)(CCO)(H)	114.1370	0.000	1	114.1370	0.000	1	114.1370	0.000	1	114.6728	1.680	58	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:N[5]-3:C-3:H-1:	C-4:C-3:H-1:	C(CC[6a]N[5]H)(NCH)(O)	C(C[6a]C[6a]2)(N[5]C[5]2)(CNO)(H)	N(CC3)(CCO)(H)	C(CC[6a]N[5]H)(NCH)(O)	C(C[6a]C[6a]2)(N[5]C[5]2)(CNO)(H)	N(CC3)(CCO)(H)	113.7933	0.407	4	113.7933	0.166	4	113.7933	0.166	4	114.6728	1.680	58	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:N[6]-3:C-3:H-1:	C-4:C-3:H-1:	C(CC[6a]N[6]H)(NCH)(O)	C(C[6a]C[6a]2)(N[6]C[6]2)(CNO)(H)	N(CC3)(CCO)(H)	C(CC[6a]N[6]H)(NCH)(O)	C(C[6a]C[6a]2)(N[6]C[6]2)(CNO)(H)	N(CC3)(CCO)(H)	114.1950	0.000	1	114.1950	0.000	1	114.1950	0.000	1	114.6728	1.680	58	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:3:1:	C-4:N-3:O-1:	N[4]-3:C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(CC[6a]N[4]H)(NCH)(O)	C(N[4]C[4,5,6]C[4])(C[6a]C[6a]2)(CNO)(H)	N(CC3)(CCO)(H)	C(CC[6a]N[4]H)(NCH)(O)	C(N[4]C[4,5,6]C[4])(C[6a]C[6a]2)(CNO)(H)	N(CC3)(CCO)(H)	114.9340	0.000	1	114.9340	0.000	1	114.9340	0.000	1	114.6728	1.680	58	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:3:1:	C-4:N-3:O-1:	N[5]-3:C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(CC[6a]N[5]H)(NCH)(O)	C(N[5]C[5,3x6]C[5])(C[6a]C[6a]2)(CNO)(H)	N(CC3)(CCO)(H)	C(CC[6a]N[5]H)(NCH)(O)	C(N[5]C[5,3x6]C[5])(C[6a]C[6a]2)(CNO)(H)	N(CC3)(CCO)(H)	113.4090	0.000	1	113.4090	0.000	1	113.8420	0.950	9	114.6728	1.680	58	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:3:1:	C-4:N-3:O-1:	N[5]-3:C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(CC[6a]N[5]H)(NCH)(O)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CNO)(H)	N(CC3)(CCO)(H)	C(CC[6a]N[5]H)(NCH)(O)	C(N[5]C[5,6]C[5])(C[6a]C[6a]2)(CNO)(H)	N(CC3)(CCO)(H)	113.9386	1.102	7	113.9386	1.215	7	113.8420	0.950	9	114.6728	1.680	58	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:3:1:	C-4:N-3:O-1:	N[5]-3:C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(CC[6a]N[5]H)(NCH)(O)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CNO)(H)	N(CC3)(CCO)(H)	C(CC[6a]N[5]H)(NCH)(O)	C(N[5]C[5,6a]C[5])(C[6a]C[6a]2)(CNO)(H)	N(CC3)(CCO)(H)	113.5990	0.000	1	113.5990	0.000	1	113.8420	0.950	9	114.6728	1.680	58	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:3:1:	C-4:N-3:O-1:	N[5]-3:N[5]-3:C-3:H-1:	C-4:C-3:H-1:	C(CN[5]2H)(NCH)(O)	C(N[5]C[5]N[5])2(CNO)(H)	N(CCHH)(CCO)(H)	C(CN[5]2H)(NCH)(O)	C(N[5]C[5]N[5])2(CNO)(H)	N(CCHH)(CCO)(H)	115.8380	0.000	1	115.8380	0.000	1	115.8380	0.000	1	114.6728	1.680	58	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:3:1:	C-4:N-3:O-1:	N[5a]-3:N[5a]-3:C-3:H-1:	C-4:C-3:H-1:	C(CN[5a]2H)(NCH)(O)	C(N[5a]C[5a]N[5a])2(CNO)(H)	N(CCHH)(CCO)(H)	C(CN[5a]2H)(NCH)(O)	C(N[5a]C[5a]N[5a])2(CNO)(H)	N(CCHH)(CCO)(H)	116.6000	0.000	1	116.6000	0.000	1	116.6000	0.000	1	114.6728	1.680	58	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:3:1:	C-4:N-3:S-1:	C[6a]-3:C-3:C-3:H-1:	C-4:C-3:H-1:	C(CC[6a]CH)(NCH)(S)	C(C[6a]C[6a]2)(CNS)(COO)(H)	N(CCCH)(CCS)(H)	C(CC[6a]CH)(NCH)(S)	C(C[6a]C[6a]2)(CNS)(COO)(H)	N(CCCH)(CCS)(H)	113.2630	0.000	1	113.2630	0.000	1	113.2630	0.000	1	114.6728	1.680	58	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:3:1:	C-4:N-3:S-1:	N[5a]-3:N[5a]-3:C-3:H-1:	C-4:C-3:H-1:	C(CN[5a]2H)(NCH)(S)	C(N[5a]C[5a]N[5a])2(CNS)(H)	N(CC3)(CCS)(H)	C(CN[5a]2H)(NCH)(S)	C(N[5a]C[5a]N[5a])2(CNS)(H)	N(CC3)(CCS)(H)	115.3990	0.000	1	115.3990	0.000	1	115.3990	0.000	1	114.6728	1.680	58	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:4:3:	C-4:N-3:O-1:	C[6a]-3:C-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C(CC[6a]CH)(NC[6]2)(O)	C(C[6a]C[6a]2)(CNO)(COO)(H)	N(C[6]C[6]2H)2(CCO)	C(CC[6a]CH)(NC[6]2)(O)	C(C[6a]C[6a]2)(CNO)(COO)(H)	N(C[6]C[6]2H)2(CCO)	119.3690	0.000	1	119.3690	0.000	1	119.3690	0.000	1	118.1585	1.601	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:4:3:	C-4:N-3:O-1:	C[6a]-3:C-3:N-3:H-1:	C-4:C-4:C-3:	C(CC[6a]HN)(NCC)(O)	C(C[6a]C[6a]2)(CNO)(NHS)(H)	N(CCCH)(CH3)(CCO)	C(CC[6a]HN)(NCC)(O)	C(C[6a]C[6a]2)(CNO)(NHS)(H)	N(CCCH)(CH3)(CCO)	118.6660	0.000	1	118.6660	0.000	1	118.6660	0.000	1	118.1585	1.601	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:4:3:	C-4:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:H-1:	C-4:C-4:C-3:	C(CC[6a]2H)(NCC)(O)	C(C[6a]C[6a]2)2(CNO)(H)	N(CCCH)2(CCO)	C(CC[6a]2H)(NCC)(O)	C(C[6a]C[6a]2)2(CNO)(H)	N(CCCH)2(CCO)	118.6650	0.000	1	118.6650	0.000	1	118.3870	0.174	3	118.1585	1.601	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:4:3:	C-4:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:H-1:	C-4:C-4:C-3:	C(CC[6a]2H)(NCC)(O)	C(C[6a]C[6a]2)2(CNO)(H)	N(CCHH)2(CCO)	C(CC[6a]2H)(NCC)(O)	C(C[6a]C[6a]2)2(CNO)(H)	N(CCHH)2(CCO)	118.2480	0.481	2	118.2480	0.231	2	118.3870	0.174	3	118.1585	1.601	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:1:	4:4:3:	C-4:N-3:O-1:	C[6a]-3:N[5a]-3:C-3:H-1:	S-4:C-4:C-3:	C(CC[6a]N[5a]H)(NCS)(O)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CNO)(H)	N(SCOO)(CH3)(CCO)	C(CC[6a]N[5a]H)(NCS)(O)	C(C[6a]C[6a]2)(N[5a]N[5a]2)(CNO)(H)	N(SCOO)(CH3)(CCO)	115.7550	0.000	1	115.7550	0.000	1	115.7550	0.000	1	118.1585	1.601	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:2:	3:2:1:	C-4:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:O-2:	C-3:N-2:H-1:	C(CC[6a]2O)(NHN)(O)	C(C[6a]C[6a]2)2(CNO)(OH)	N(CCO)(NC)(H)	C(CC[6a]2O)(NHN)(O)	C(C[6a]C[6a]2)2(CNO)(OH)	N(CCO)(NC)(H)	114.5300	0.000	1	114.5300	0.000	1	114.5300	0.000	1	114.5300	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:2:	3:3:1:	C-4:N-3:O-1:	C[5a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C-3:H-1:	C(CC[5a]C[6a]O)(NC[6a]H)(O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CNO)(OH)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5a]C[6a]O)(NC[6a]H)(O)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CNO)(OH)	N(C[6a]C[6a]2)(CCO)(H)	114.8810	0.000	1	114.8810	0.000	1	114.8810	0.000	1	113.8490	0.720	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:2:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-3:C-3:O-2:	C-3:C-3:H-1:	C(CC[6a]CO)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(COO)(OH)	N(CCO)(CHO)(H)	C(CC[6a]CO)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(COO)(OH)	N(CCO)(CHO)(H)	112.6820	0.000	1	112.6820	0.000	1	112.6820	0.000	1	113.8490	0.720	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:2:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:O-2:	C-3:N-3:H-1:	C(CC[6a]2O)(NHN)(O)	C(C[6a]C[6a]2)2(CNO)(OH)	N(CCO)(NCH)(H)	C(CC[6a]2O)(NHN)(O)	C(C[6a]C[6a]2)2(CNO)(OH)	N(CCO)(NCH)(H)	114.0265	0.487	2	114.0265	0.237	2	114.0265	0.237	2	113.8490	0.720	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:2:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:C-3:H-1:	C(CC[6a]2O)(NC[6a]H)(O)	C(C[6a]C[6a]2)2(CNO)(OH)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]2O)(NC[6a]H)(O)	C(C[6a]C[6a]2)2(CNO)(OH)	N(C[6a]C[6a]2)(CCO)(H)	114.3910	0.000	1	114.3910	0.000	1	114.3910	0.000	1	113.8490	0.720	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:2:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:O-2:	N[5]-3:C-3:H-1:	C(CC[6a]2O)(NN[5]H)(O)	C(C[6a]C[6a]2)2(CNO)(OH)	N(N[5]C[5,6]C[5])(CCO)(H)	C(CC[6a]2O)(NN[5]H)(O)	C(C[6a]C[6a]2)2(CNO)(OH)	N(N[5]C[5,6]C[5])(CCO)(H)	113.0870	0.000	1	113.0870	0.000	1	113.0870	0.000	1	113.8490	0.720	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:3:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]2C)(NC[6a]H)(O)	C(C[6a]C[6a]2)2(CHN)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]2C)(NC[6a]H)(O)	C(C[6a]C[6a]2)2(CHN)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	116.3160	0.000	1	116.3160	0.000	1	116.3160	0.000	1	115.8987	2.595	14	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:3:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]3)(NC[6a]H)(O)	C(C[6a]C[6a]2)3(CNO)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]3)(NC[6a]H)(O)	C(C[6a]C[6a]2)3(CNO)	N(C[6a]C[6a]2)(CCO)(H)	115.8666	1.672	13	115.8666	2.796	13	115.8666	2.796	13	115.8987	2.595	14	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:3:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(CC[6a]3)(NCH)(O)	C(C[6a]C[6a]2)3(CNO)	N(CCCH)(CCO)(H)	C(CC[6a]3)(NCH)(O)	C(C[6a]C[6a]2)3(CNO)	N(CCCH)(CCO)(H)	116.8662	1.779	5	116.8662	3.165	5	116.7252	2.558	16	116.5357	2.818	22	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:3:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(CC[6a]3)(NCH)(O)	C(C[6a]C[6a]2)3(CNO)	N(CCHH)(CCO)(H)	C(CC[6a]3)(NCH)(O)	C(C[6a]C[6a]2)3(CNO)	N(CCHH)(CCO)(H)	117.5988	1.122	5	117.5988	1.259	5	116.7252	2.558	16	116.5357	2.818	22	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:3:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(CC[6a]3)(NCH)(O)	C(C[6a]C[6a]2)3(CNO)	N(CC[6]HH)(CCO)(H)	C(CC[6a]3)(NCH)(O)	C(C[6a]C[6a]2)3(CNO)	N(CC[6]HH)(CCO)(H)	118.5710	0.000	1	118.5710	0.000	1	116.7252	2.558	16	116.5357	2.818	22	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:3:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(CC[6a]3)(NCH)(O)	C(C[6a]C[6a]2)3(CNO)	N(CC[6a]CH)(CCO)(H)	C(CC[6a]3)(NCH)(O)	C(C[6a]C[6a]2)3(CNO)	N(CC[6a]CH)(CCO)(H)	114.8407	0.726	3	114.8407	0.528	3	116.7252	2.558	16	116.5357	2.818	22	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:3:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(CC[6a]3)(NCH)(O)	C(C[6a]C[6a]2)3(CNO)	N(CC[6a]HH)(CCO)(H)	C(CC[6a]3)(NCH)(O)	C(C[6a]C[6a]2)3(CNO)	N(CC[6a]HH)(CCO)(H)	115.4410	0.000	1	115.4410	0.000	1	116.7252	2.558	16	116.5357	2.818	22	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:3:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(CC[6a]3)(NCH)(O)	C(C[6a]C[6a]2)3(CNO)	N(CH3)(CCO)(H)	C(CC[6a]3)(NCH)(O)	C(C[6a]C[6a]2)3(CNO)	N(CH3)(CCO)(H)	116.7440	0.000	1	116.7440	0.000	1	116.7252	2.558	16	116.5357	2.818	22	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:3:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[5]-4:C-3:H-1:	C(CC[6a]3)(NC[5]H)(O)	C(C[6a]C[6a]2)3(CNO)	N(C[5]C[5]2H)(CCO)(H)	C(CC[6a]3)(NC[5]H)(O)	C(C[6a]C[6a]2)3(CNO)	N(C[5]C[5]2H)(CCO)(H)	115.5210	2.043	4	115.5210	4.173	4	115.5210	4.173	4	116.5357	2.818	22	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:3:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(CC[6a]3)(NC[6]H)(O)	C(C[6a]C[6a]2)3(CNO)	N(C[6]C[6]2H)(CCO)(H)	C(CC[6a]3)(NC[6]H)(O)	C(C[6a]C[6a]2)3(CNO)	N(C[6]C[6]2H)(CCO)(H)	117.0495	1.752	2	117.0495	3.068	2	117.0495	3.068	2	116.5357	2.818	22	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:3:3:	4:3:3:	C-4:N-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(CC[6a]3)(NCC)(O)	C(C[6a]C[6a]2)3(CNO)	N(CCHH)(CCO)2	C(CC[6a]3)(NCC)(O)	C(C[6a]C[6a]2)3(CNO)	N(CCHH)(CCO)2	120.9300	0.410	2	120.9300	0.168	2	120.9300	0.168	2	120.9300	0.168	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:4:3:	3:1:1:	C-4:N-3:O-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C-3:H-1:H-1:	C(CC[6a]2C)(NHH)(O)	C(C[6a]C[6a]2)2(CCHH)(CNO)	N(CCO)(H)2	C(CC[6a]2C)(NHH)(O)	C(C[6a]C[6a]2)2(CCHH)(CNO)	N(CCO)(H)2	115.4120	0.000	1	115.4120	0.000	1	115.4120	0.000	1	115.4120	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:4:3:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]2C)(NC[6a]H)(O)	C(C[6a]C[6a]2)2(CCHH)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]2C)(NC[6a]H)(O)	C(C[6a]C[6a]2)2(CCHH)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	116.4725	0.299	2	116.4725	0.089	2	116.1673	0.324	3	116.1673	0.324	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:4:3:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]2C)(NC[6a]H)(O)	C(C[6a]C[6a]2)2(CC[5a]HH)(CNO)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CC[6a]2C)(NC[6a]H)(O)	C(C[6a]C[6a]2)2(CC[5a]HH)(CNO)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	115.5570	0.000	1	115.5570	0.000	1	116.1673	0.324	3	116.1673	0.324	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:3:4:3:	4:4:3:	C-4:N-3:O-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C-4:C-4:C-3:	C(CC[6a]2C)(NCC)(O)	C(C[6a]C[6a]2)2(CCHH)(CNO)	N(CH3)2(CCO)	C(CC[6a]2C)(NCC)(O)	C(C[6a]C[6a]2)2(CCHH)(CNO)	N(CH3)2(CCO)	120.7230	0.341	2	120.7230	0.116	2	120.7230	0.116	2	120.7230	0.116	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:2:3:	3:4:3:	C-4:N-3:O-1:	C[6a]-3:C-4:S-2:C-3:	C[6a]-3:S-4:C-3:	C(CC[6a]CS)(NC[6a]S)(O)	C(C[6a]C[6a]2)(CC[6a]CH)(SC[6a])(CNO)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C(CC[6a]CS)(NC[6a]S)(O)	C(C[6a]C[6a]2)(CC[6a]CH)(SC[6a])(CNO)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	120.6120	0.000	1	120.6120	0.000	1	120.6120	0.000	1	120.6120	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	2:3:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:H-1:	N-2:C-3:H-1:	C(CC[6a]CH)(NHN)(O)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	N(NC[5])(CCO)(H)	C(CC[6a]CH)(NHN)(O)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	N(NC[5])(CCO)(H)	118.0270	0.000	1	118.0270	0.000	1	118.0270	0.000	1	118.0270	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	3:1:1:	C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-3:O-1:O-1:	C(CC[6a]CH)(NOO)(H)	C(C[6a]C[6a]2)(CCCH)(CHN)(H)	N(CCH)(O)2	C(CC[6a]CH)(NOO)(H)	C(C[6a]C[6a]2)(CCCH)(CHN)(H)	N(CCH)(O)2	112.2750	0.000	1	112.2750	0.000	1	112.2750	0.000	1	117.0983	1.819	44	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	3:1:1:	C-4:N-3:O-1:	C[5a]-3:C-4:C-3:H-1:	C-3:H-1:H-1:	C(CC[5a]CH)(NHH)(O)	C(C[5a]C[5a]N[5a])(CC[6]HH)(CNO)(H)	N(CCO)(H)2	C(CC[5a]CH)(NHH)(O)	C(C[5a]C[5a]N[5a])(CC[6]HH)(CNO)(H)	N(CCO)(H)2	116.6900	0.000	1	116.6900	0.000	1	116.6900	0.000	1	117.0983	1.819	44	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	3:1:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:H-1:	C-3:H-1:H-1:	C(CC[6a]CH)(NHH)(O)	C(C[6a]C[6a]2)(CCCH)(CNO)(H)	N(CCO)(H)2	C(CC[6a]CH)(NHH)(O)	C(C[6a]C[6a]2)(CCCH)(CNO)(H)	N(CCO)(H)2	116.8383	0.231	4	116.8383	0.053	4	116.7158	0.679	13	117.0983	1.819	44	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	3:1:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:H-1:	C-3:H-1:H-1:	C(CC[6a]CH)(NHH)(O)	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	N(CCO)(H)2	C(CC[6a]CH)(NHH)(O)	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	N(CCO)(H)2	116.7591	1.123	7	116.7591	1.261	7	116.7158	0.679	13	117.0983	1.819	44	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	3:1:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:H-1:	C-3:H-1:H-1:	C(CC[6a]CH)(NHH)(O)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	N(CCO)(H)2	C(CC[6a]CH)(NHH)(O)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	N(CCO)(H)2	116.3195	0.199	2	116.3195	0.039	2	116.7158	0.679	13	117.0983	1.819	44	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	3:1:1:	C-4:N-3:O-1:	C[6a]-3:N-4:C-3:H-1:	C-3:H-1:H-1:	C(CC[6a]HN)(NHH)(O)	C(C[6a]C[6a]2)(NCHH)(CNO)(H)	N(CCO)(H)2	C(CC[6a]HN)(NHH)(O)	C(C[6a]C[6a]2)(NCHH)(CNO)(H)	N(CCO)(H)2	115.7110	0.000	1	115.7110	0.000	1	115.7110	0.000	1	117.0983	1.819	44	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	3:1:1:	C-4:N-3:O-1:	N-3:C-4:C-3:H-1:	C-3:H-1:H-1:	C(CCHN)(NHH)(O)	C(NC[4a]H)(CCHH)(CNO)(H)	N(CCO)(H)2	C(CCHN)(NHH)(O)	C(NC[4a]H)(CCHH)(CNO)(H)	N(CCO)(H)2	117.8340	0.000	1	117.8340	0.000	1	116.3357	1.847	3	117.0983	1.819	44	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	3:1:1:	C-4:N-3:O-1:	N-3:C-4:C-3:H-1:	C-3:H-1:H-1:	C(CCHN)(NHH)(O)	C(NC[6a]H)(CH3)(CNO)(H)	N(CCO)(H)2	C(CCHN)(NHH)(O)	C(NC[6a]H)(CH3)(CNO)(H)	N(CCO)(H)2	115.5865	0.572	2	115.5865	0.327	2	116.3357	1.847	3	117.0983	1.819	44	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	3:1:1:	C-4:N-3:O-1:	N[5]-3:C-4:C-3:H-1:	C-3:H-1:H-1:	C(CN[5]CH)(NHH)(O)	C(N[5]C[5]2)(CCHH)(CNO)(H)	N(CCO)(H)2	C(CN[5]CH)(NHH)(O)	C(N[5]C[5]2)(CCHH)(CNO)(H)	N(CCO)(H)2	117.6534	1.112	25	117.6534	1.236	25	117.6534	1.236	25	117.0983	1.819	44	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	3:2:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:H-1:	C-3:N-2:H-1:	C(CC[6a]CH)(NHN)(O)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	N(CCO)(NC)(H)	C(CC[6a]CH)(NHN)(O)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	N(CCO)(NC)(H)	116.6283	2.352	12	116.6283	5.533	12	116.6283	5.533	12	116.6283	5.533	12	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	3:3:1:	C-4:N-3:O-1:	C[6]-3:C-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]CH)(NCH)(O)	C(C[6]C[6]2)(CH3)(CNO)(H)	N(CCO)(CNO)(H)	C(CC[6]CH)(NCH)(O)	C(C[6]C[6]2)(CH3)(CNO)(H)	N(CCO)(CNO)(H)	114.0325	2.177	2	114.0325	4.740	2	114.0325	4.740	2	114.8452	3.231	45	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:F-1:	C[6a]-3:C-3:H-1:	C(CC[6a]CF)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CCHH)(CNO)(F)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]CF)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CCHH)(CNO)(F)	N(C[6a]C[6a]2)(CCO)(H)	115.8170	0.000	1	115.8170	0.000	1	115.8170	0.000	1	114.8452	3.231	45	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]CH)(NCH)(O)	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	N(CC[6a]O)(CCO)(H)	C(CC[6a]CH)(NCH)(O)	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	N(CC[6a]O)(CCO)(H)	119.1650	0.000	2	119.1650	0.000	2	117.8923	4.859	3	114.8452	3.231	45	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]CH)(NCH)(O)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	N(CCO)(CNS)(H)	C(CC[6a]CH)(NCH)(O)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	N(CCO)(CNS)(H)	115.3470	0.000	1	115.3470	0.000	1	117.8923	4.859	3	114.8452	3.231	45	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:H-1:	C-3:N-3:H-1:	C(CC[6a]CH)(NHN)(O)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	N(CCO)(NCH)(H)	C(CC[6a]CH)(NHN)(O)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	N(CCO)(NCH)(H)	114.1130	0.000	1	114.1130	0.000	1	114.1130	0.000	1	114.8452	3.231	45	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:H-1:	C[5a]-3:C-3:H-1:	C(CC[6a]CH)(NC[5a]H)(O)	C(C[6a]C[6a]2)(CCCH)(CNO)(H)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(CC[6a]CH)(NC[5a]H)(O)	C(C[6a]C[6a]2)(CCCH)(CNO)(H)	N(C[5a]N[5a]S[5a])(CCO)(H)	115.5650	0.368	2	115.5650	0.135	2	115.5650	0.135	2	114.8452	3.231	45	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CC[6a]CH)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CB[5]HH)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]CH)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CB[5]HH)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	114.8220	0.564	2	114.8220	0.318	2	115.5838	0.659	11	114.8452	3.231	45	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CC[6a]CH)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]CH)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	115.7130	0.277	2	115.7130	0.077	2	115.5838	0.659	11	114.8452	3.231	45	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CC[6a]CH)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]CH)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	115.7646	0.892	7	115.7646	0.796	7	115.5838	0.659	11	114.8452	3.231	45	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:H-1:	N[5]-3:C-3:H-1:	C(CC[6a]CH)(NN[5]H)(O)	C(C[6a]C[6a]2)(CCCH)(CNO)(H)	N(N[5]C[5]2)(CCO)(H)	C(CC[6a]CH)(NN[5]H)(O)	C(C[6a]C[6a]2)(CCCH)(CNO)(H)	N(N[5]C[5]2)(CCO)(H)	114.1400	0.000	1	114.1400	0.000	1	114.6665	0.554	2	114.8452	3.231	45	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:H-1:	N[5]-3:C-3:H-1:	C(CC[6a]CH)(NN[5]H)(O)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	N(N[5]C[5]2)(CCO)(H)	C(CC[6a]CH)(NN[5]H)(O)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	N(N[5]C[5]2)(CCO)(H)	115.1930	0.000	1	115.1930	0.000	1	114.6665	0.554	2	114.8452	3.231	45	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:H-1:	N[6a]-3:C-3:H-1:	C(CC[6a]CH)(NN[6a]H)(O)	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	N(N[6a]C[6a]2)(CCO)(H)	C(CC[6a]CH)(NN[6a]H)(O)	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	N(N[6a]C[6a]2)(CCO)(H)	113.1860	0.000	1	113.1860	0.000	1	113.1860	0.000	1	114.8452	3.231	45	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C[6]-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CC[6a]C[6]H)(NC[6a]H)(O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CNO)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CC[6a]C[6]H)(NC[6a]H)(O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CNO)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	114.8100	0.000	1	114.8100	0.000	1	114.8100	0.000	1	114.8452	3.231	45	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:N-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CC[6a]HN)(NC[6a]H)(O)	C(C[6a]C[6a]2)(NCHH)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]HN)(NC[6a]H)(O)	C(C[6a]C[6a]2)(NCHH)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	114.1630	0.000	1	114.1630	0.000	1	114.1630	0.000	1	114.8452	3.231	45	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	3:3:1:	C-4:N-3:O-1:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CN[5]CH)(NC[6a]H)(O)	C(N[5]C[5,6a]C[5])(CCCH)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(CN[5]CH)(NC[6a]H)(O)	C(N[5]C[5,6a]C[5])(CCCH)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	113.8020	0.000	1	113.8020	0.000	1	114.3513	1.416	13	114.8452	3.231	45	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	3:3:1:	C-4:N-3:O-1:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CN[5]CH)(NC[6a]H)(O)	C(N[5]C[5]2)(CCCH)(CNO)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CN[5]CH)(NC[6a]H)(O)	C(N[5]C[5]2)(CCCH)(CNO)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	113.7295	2.879	2	113.7295	8.287	2	114.3513	1.416	13	114.8452	3.231	45	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	3:3:1:	C-4:N-3:O-1:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CN[5]CH)(NC[6a]H)(O)	C(N[5]C[5]2)(CCHH)(CNO)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CN[5]CH)(NC[6a]H)(O)	C(N[5]C[5]2)(CCHH)(CNO)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	114.7210	0.000	1	114.7210	0.000	1	114.3513	1.416	13	114.8452	3.231	45	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	3:3:1:	C-4:N-3:O-1:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CN[5]CH)(NC[6a]H)(O)	C(N[5]C[5]2)(CCHO)(CNO)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CN[5]CH)(NC[6a]H)(O)	C(N[5]C[5]2)(CCHO)(CNO)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	113.8715	0.944	2	113.8715	0.891	2	114.3513	1.416	13	114.8452	3.231	45	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	3:3:1:	C-4:N-3:O-1:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CN[5]CH)(NC[6a]H)(O)	C(N[5]C[5]2)(CC[6a]CH)(CNO)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CN[5]CH)(NC[6a]H)(O)	C(N[5]C[5]2)(CC[6a]CH)(CNO)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	114.7502	1.018	6	114.7502	1.037	6	114.3513	1.416	13	114.8452	3.231	45	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	3:3:1:	C-4:N-3:O-1:	N[5]-3:C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CN[5]CH)(NC[6a]H)(O)	C(N[5]C[5]2)(CHHS)(CNO)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CN[5]CH)(NC[6a]H)(O)	C(N[5]C[5]2)(CHHS)(CNO)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	114.3410	0.000	1	114.3410	0.000	1	114.3513	1.416	13	114.8452	3.231	45	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	3:3:1:	C-4:N-3:O-1:	N[5a]-3:C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CN[5a]CH)(NC[6a]H)(O)	C(N[5a]C[5a]2)(CCHH)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(CN[5a]CH)(NC[6a]H)(O)	C(N[5a]C[5a]2)(CCHH)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	119.7250	0.000	1	119.7250	0.000	1	113.6789	8.295	7	114.8452	3.231	45	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	3:3:1:	C-4:N-3:O-1:	N[5a]-3:C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CN[5a]CH)(NC[6a]H)(O)	C(N[5a]C[5a]N[5a])(CH3)(CNO)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(CN[5a]CH)(NC[6a]H)(O)	C(N[5a]C[5a]N[5a])(CH3)(CNO)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	112.6712	1.194	6	112.6712	1.425	6	113.6789	8.295	7	114.8452	3.231	45	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	3:4:3:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:C-4:C-3:	C(CC[6a]CH)(NC[6a]C)(O)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C(CC[6a]CH)(NC[6a]C)(O)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	117.4270	0.000	1	117.4270	0.000	1	117.4270	0.000	1	116.2745	2.657	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	3:4:3:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:H-1:	C[6a]-3:S-4:C-3:	C(CC[6a]CH)(NC[6a]S)(O)	C(C[6a]C[6a]2)(CHHS)(CNO)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C(CC[6a]CH)(NC[6a]S)(O)	C(C[6a]C[6a]2)(CHHS)(CNO)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	115.1220	0.000	1	115.1220	0.000	1	115.1220	0.000	1	116.2745	2.657	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:3:1:	C-4:N-3:H-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:O-1:	C(CC[6a]CH)(NCO)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHN)(H)	N(CC3)(CCH)(O)	C(CC[6a]CH)(NCO)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CHN)(H)	N(CC3)(CCH)(O)	122.5780	0.000	2	122.5780	0.000	2	122.5780	0.000	2	116.0475	3.644	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-3:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	C(CC[6a]O)(CCHH)(CNO)(H)	N(CC[6a]CH)(CCO)(H)	C(CCCH)(NCH)(O)	C(CC[6a]O)(CCHH)(CNO)(H)	N(CC[6a]CH)(CCO)(H)	116.6410	0.000	1	116.6410	0.000	1	116.6410	0.000	1	116.0475	3.644	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:3:1:	C-4:N-3:O-1:	C[6]-3:N-4:C-3:H-1:	C[4]-4:C-3:H-1:	C(CC[6]HN)(NC[4]H)(O)	C(C[6]C[6]2)(NH3)(CNO)(H)	N(C[4]C[4,6]C[4]H)(CCO)(H)	C(CC[6]HN)(NC[4]H)(O)	C(C[6]C[6]2)(NH3)(CNO)(H)	N(C[4]C[4,6]C[4]H)(CCO)(H)	114.3190	0.000	1	114.3190	0.000	1	114.3190	0.000	1	116.0475	3.644	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CC[6a]CH)(NCH)(O)	C(C[6a]C[6a]2)(CC[6]CH)(CNO)(H)	N(CC[6a]CH)(CCO)(H)	C(CC[6a]CH)(NCH)(O)	C(C[6a]C[6a]2)(CC[6]CH)(CNO)(H)	N(CC[6a]CH)(CCO)(H)	115.2730	0.000	1	115.2730	0.000	1	115.6799	1.005	21	116.0475	3.644	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CC[6a]CH)(NCH)(O)	C(C[6a]C[6a]2)(CC[6a]CO)(CNO)(H)	N(CC[6a]HH)(CCO)(H)	C(CC[6a]CH)(NCH)(O)	C(C[6a]C[6a]2)(CC[6a]CO)(CNO)(H)	N(CC[6a]HH)(CCO)(H)	116.2385	0.134	2	116.2385	0.018	2	115.6799	1.005	21	116.0475	3.644	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CC[6a]CH)(NCH)(O)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	N(CCCH)(CCO)(H)	C(CC[6a]CH)(NCH)(O)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	N(CCCH)(CCO)(H)	115.9360	0.975	5	115.9360	0.952	5	115.6799	1.005	21	116.0475	3.644	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CC[6a]CH)(NCH)(O)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	N(CCHH)(CCO)(H)	C(CC[6a]CH)(NCH)(O)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	N(CCHH)(CCO)(H)	116.2207	1.317	3	116.2207	1.736	3	115.6799	1.005	21	116.0475	3.644	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CC[6a]CH)(NCH)(O)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	N(CC[5]HH)(CCO)(H)	C(CC[6a]CH)(NCH)(O)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	N(CC[5]HH)(CCO)(H)	115.2882	1.086	9	115.2882	1.178	9	115.6799	1.005	21	116.0475	3.644	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CC[6a]CH)(NCH)(O)	C(C[6a]C[6a]2)(CHHO)(CNO)(H)	N(CC3)(CCO)(H)	C(CC[6a]CH)(NCH)(O)	C(C[6a]C[6a]2)(CHHO)(CNO)(H)	N(CC3)(CCO)(H)	115.5920	0.000	1	115.5920	0.000	1	115.6799	1.005	21	116.0475	3.644	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:N-4:C-3:H-1:	C[4]-4:C-3:H-1:	C(CC[6a]HN)(NC[4]H)(O)	C(C[6a]C[6a]2)(NH3)(CNO)(H)	N(C[4]C[4,6]C[4]H)(CCO)(H)	C(CC[6a]HN)(NC[4]H)(O)	C(C[6a]C[6a]2)(NH3)(CNO)(H)	N(C[4]C[4,6]C[4]H)(CCO)(H)	115.8400	1.923	2	115.8400	3.699	2	115.8400	3.699	2	116.0475	3.644	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:3:1:	C-4:N-3:O-1:	N[5]-3:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CN[5]CH)(NCH)(O)	C(N[5]C[5]2)(CCCH)(CNO)(H)	N(CCHH)(CCO)(H)	C(CN[5]CH)(NCH)(O)	C(N[5]C[5]2)(CCCH)(CNO)(H)	N(CCHH)(CCO)(H)	117.2190	2.099	2	117.2190	4.405	2	115.8160	2.230	10	116.0475	3.644	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:3:1:	C-4:N-3:O-1:	N[5]-3:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CN[5]CH)(NCH)(O)	C(N[5]C[5]2)(CCHN)(CNO)(H)	N(CC3)(CCO)(H)	C(CN[5]CH)(NCH)(O)	C(N[5]C[5]2)(CCHN)(CNO)(H)	N(CC3)(CCO)(H)	115.1015	0.631	2	115.1015	0.399	2	115.8160	2.230	10	116.0475	3.644	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:3:1:	C-4:N-3:O-1:	N[5]-3:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CN[5]CH)(NCH)(O)	C(N[5]C[5]2)(CC[6a]FH)(CNO)(H)	N(CC[6a]CC)(CCO)(H)	C(CN[5]CH)(NCH)(O)	C(N[5]C[5]2)(CC[6a]FH)(CNO)(H)	N(CC[6a]CC)(CCO)(H)	115.4900	0.737	2	115.4900	0.543	2	115.8160	2.230	10	116.0475	3.644	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:3:1:	C-4:N-3:O-1:	N[5]-3:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CN[5]CH)(NCH)(O)	C(N[5]C[5]2)(CC[6a]HO)(CNO)(H)	N(CCCH)(CCO)(H)	C(CN[5]CH)(NCH)(O)	C(N[5]C[5]2)(CC[6a]HO)(CNO)(H)	N(CCCH)(CCO)(H)	113.8200	0.000	1	113.8200	0.000	1	115.8160	2.230	10	116.0475	3.644	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:3:1:	C-4:N-3:O-1:	N[5]-3:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CN[5]CH)(NCH)(O)	C(N[5]C[5]2)(CH3)(CNO)(H)	N(CH3)(CCO)(H)	C(CN[5]CH)(NCH)(O)	C(N[5]C[5]2)(CH3)(CNO)(H)	N(CH3)(CCO)(H)	116.8770	1.609	2	116.8770	2.590	2	115.8160	2.230	10	116.0475	3.644	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:3:1:	C-4:N-3:O-1:	N[5]-3:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CN[5]CH)(NCH)(O)	C(N[5]C[5]2)(CHHN)(CNO)(H)	N(CC[6a]HH)(CCO)(H)	C(CN[5]CH)(NCH)(O)	C(N[5]C[5]2)(CHHN)(CNO)(H)	N(CC[6a]HH)(CCO)(H)	114.9650	0.000	1	114.9650	0.000	1	115.8160	2.230	10	116.0475	3.644	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:3:1:	C-4:N-3:O-1:	N[5a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CN[5a]CH)(NCH)(O)	C(N[5a]C[5a]2)(CC[6a]HH)(CNO)(H)	N(CCCH)(CCO)(H)	C(CN[5a]CH)(NCH)(O)	C(N[5a]C[5a]2)(CC[6a]HH)(CNO)(H)	N(CCCH)(CCO)(H)	117.2860	0.950	2	117.2860	0.903	2	114.9164	5.225	5	116.0475	3.644	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:3:1:	C-4:N-3:O-1:	N[5a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CN[5a]CH)(NCH)(O)	C(N[5a]C[5a]N[5a])(CC[5a]HH)(CNO)(H)	N(CCHH)(CCO)(H)	C(CN[5a]CH)(NCH)(O)	C(N[5a]C[5a]N[5a])(CC[5a]HH)(CNO)(H)	N(CCHH)(CCO)(H)	113.1255	1.006	2	113.1255	1.012	2	114.9164	5.225	5	116.0475	3.644	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:3:1:	C-4:N-3:O-1:	N[5a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CN[5a]CH)(NCH)(O)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(CNO)(H)	N(CC[6a]HH)(CCO)(H)	C(CN[5a]CH)(NCH)(O)	C(N[5a]C[5a]N[5a])(CC[6a]HH)(CNO)(H)	N(CC[6a]HH)(CCO)(H)	113.7590	0.000	1	113.7590	0.000	1	114.9164	5.225	5	116.0475	3.644	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:3:1:	C-4:N-3:O-1:	N[6]-3:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CN[6]CH)(NCH)(O)	C(N[6]C[6]2)(CC[6a]HH)(CNO)(H)	N(CCCH)(CCO)(H)	C(CN[6]CH)(NCH)(O)	C(N[6]C[6]2)(CC[6a]HH)(CNO)(H)	N(CCCH)(CCO)(H)	116.0280	0.000	1	116.0280	0.000	1	116.7437	1.021	6	116.0475	3.644	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:3:1:	C-4:N-3:O-1:	N[6]-3:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CN[6]CH)(NCH)(O)	C(N[6]C[6]2)(CC[6a]HH)(CNO)(H)	N(CCHH)(CCO)(H)	C(CN[6]CH)(NCH)(O)	C(N[6]C[6]2)(CC[6a]HH)(CNO)(H)	N(CCHH)(CCO)(H)	116.9595	1.528	2	116.9595	2.335	2	116.7437	1.021	6	116.0475	3.644	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:3:1:	C-4:N-3:O-1:	N[6]-3:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CN[6]CH)(NCH)(O)	C(N[6]C[6]2)(CC[6a]HH)(CNO)(H)	N(CH3)(CCO)(H)	C(CN[6]CH)(NCH)(O)	C(N[6]C[6]2)(CC[6a]HH)(CNO)(H)	N(CH3)(CCO)(H)	117.9170	0.000	1	117.9170	0.000	1	116.7437	1.021	6	116.0475	3.644	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:3:1:	C-4:N-3:O-1:	N[6]-3:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CN[6]CH)(NCH)(O)	C(N[6]C[6]2)(CH3)(CNO)(H)	N(CH3)(CCO)(H)	C(CN[6]CH)(NCH)(O)	C(N[6]C[6]2)(CH3)(CNO)(H)	N(CH3)(CCO)(H)	116.7430	0.000	1	116.7430	0.000	1	116.7437	1.021	6	116.0475	3.644	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:3:1:	C-4:N-3:O-1:	N[6]-3:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CN[6]CH)(NCH)(O)	C(N[6]C[6]N[6])(CC[6a]HH)(CNO)(H)	N(CCHH)(CCO)(H)	C(CN[6]CH)(NCH)(O)	C(N[6]C[6]N[6])(CC[6a]HH)(CNO)(H)	N(CCHH)(CCO)(H)	115.8550	0.000	1	115.8550	0.000	1	116.7437	1.021	6	116.0475	3.644	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:3:2:	C-4:N-3:O-1:	S-3:C-4:C-3:H-1:	C-4:C-3:O-2:	C(CCHS)(NCO)(O)	C(SC[6a]O)(CH3)(CNO)(H)	N(CH3)(CCO)(OC)	C(CCHS)(NCO)(O)	C(SC[6a]O)(CH3)(CNO)(H)	N(CH3)(CCO)(OC)	117.5610	0.000	1	117.5610	0.000	1	117.5610	0.000	1	117.5610	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:4:3:	C-4:N-3:O-1:	C[5a]-3:C-4:C-3:H-1:	C-4:C-4:C-3:	C(CC[5a]CH)(NCC)(O)	C(C[5a]N[5a]O[5a])(CCCH)(CNO)(H)	N(CC[6a]CH)(CCHH)(CCO)	C(CC[5a]CH)(NCC)(O)	C(C[5a]N[5a]O[5a])(CCCH)(CNO)(H)	N(CC[6a]CH)(CCHH)(CCO)	120.0120	0.000	1	120.0120	0.000	1	118.9317	0.938	3	118.8109	1.433	15	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:4:3:	C-4:N-3:O-1:	C[5a]-3:C-4:C-3:H-1:	C-4:C-4:C-3:	C(CC[5a]CH)(NCC)(O)	C(C[5a]N[5a]S[5a])(CC[6a]CH)(CNO)(H)	N(CH3)2(CCO)	C(CC[5a]CH)(NCC)(O)	C(C[5a]N[5a]S[5a])(CC[6a]CH)(CNO)(H)	N(CH3)2(CCO)	118.3915	0.353	2	118.3915	0.125	2	118.9317	0.938	3	118.8109	1.433	15	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:4:3:	C-4:N-3:O-1:	C[6]-3:C-4:C-3:H-1:	C-4:C-4:C-3:	C(CC[6]CH)(NCC)(O)	C(C[6]C[6]2)(CCHH)(CNO)(H)	N(CCHH)(CH3)(CCO)	C(CC[6]CH)(NCC)(O)	C(C[6]C[6]2)(CCHH)(CNO)(H)	N(CCHH)(CH3)(CCO)	117.7020	0.000	1	117.7020	0.000	1	117.7020	0.000	1	118.8109	1.433	15	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:4:3:	C-4:N-3:O-1:	C[6]-3:P-4:C-3:H-1:	C-4:C-4:C-3:	C(CC[6]HP)(NCC)(O)	C(C[6]C[6]N[6])(PC[6a]2O)(CNO)(H)	N(CCHH)2(CCO)	C(CC[6]HP)(NCC)(O)	C(C[6]C[6]N[6])(PC[6a]2O)(CNO)(H)	N(CCHH)2(CCO)	118.1175	0.202	2	118.1175	0.041	2	118.1175	0.041	2	118.8109	1.433	15	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:4:3:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-3:	C(CC[6a]CH)(NCC)(O)	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	N(CH3)2(CCO)	C(CC[6a]CH)(NCC)(O)	C(C[6a]C[6a]2)(CCHH)(CNO)(H)	N(CH3)2(CCO)	118.0650	0.031	2	118.0650	0.001	2	118.5116	0.242	5	118.8109	1.433	15	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:4:3:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-3:	C(CC[6a]CH)(NCC)(O)	C(C[6a]C[6a]2)(CC[6a]HO)(CNO)(H)	N(CH3)2(CCO)	C(CC[6a]CH)(NCC)(O)	C(C[6a]C[6a]2)(CC[6a]HO)(CNO)(H)	N(CH3)2(CCO)	118.3930	0.000	1	118.3930	0.000	1	118.5116	0.242	5	118.8109	1.433	15	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:4:3:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-3:	C(CC[6a]CH)(NCC)(O)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	N(CCHH)2(CCO)	C(CC[6a]CH)(NCC)(O)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	N(CCHH)2(CCO)	118.8740	0.000	1	118.8740	0.000	1	118.5116	0.242	5	118.8109	1.433	15	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:4:3:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-4:C-3:	C(CC[6a]CH)(NCC)(O)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	N(CC[6a]HH)2(CCO)	C(CC[6a]CH)(NCC)(O)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	N(CC[6a]HH)2(CCO)	119.1610	0.000	1	119.1610	0.000	1	118.5116	0.242	5	118.8109	1.433	15	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:4:3:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:H-1:	C-4:S-4:C-3:	C(CC[6a]CH)(NCS)(O)	C(C[6a]C[6a]2)(CC[6a]CO)(CNO)(H)	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(CC[6a]CH)(NCS)(O)	C(C[6a]C[6a]2)(CC[6a]CO)(CNO)(H)	N(CC[6a]HH)(SC[6a]OO)(CCO)	122.5560	0.000	1	122.5560	0.000	1	122.5560	0.000	1	118.8109	1.433	15	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:4:3:	C-4:N-3:O-1:	N-3:C-4:C-3:H-1:	C-4:C-4:C-3:	C(CCHN)(NCC)(O)	C(NC[4a]H)(CCHH)(CNO)(H)	N(CCHH)2(CCO)	C(CCHN)(NCC)(O)	C(NC[4a]H)(CCHH)(CNO)(H)	N(CCHH)2(CCO)	118.9660	0.000	1	118.9660	0.000	1	118.9660	0.000	1	118.8109	1.433	15	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:4:3:	C-4:N-3:O-1:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:C-3:	C(CN[5]CH)(NCC)(O)	C(N[5]C[5]2)(CC[6a]HH)(CNO)(H)	N(CCHH)2(CCO)	C(CN[5]CH)(NCC)(O)	C(N[5]C[5]2)(CC[6a]HH)(CNO)(H)	N(CCHH)2(CCO)	118.2220	0.000	1	118.2220	0.000	1	118.6760	0.412	2	118.8109	1.433	15	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:1:	4:4:3:	C-4:N-3:O-1:	N[5]-3:C-4:C-3:H-1:	C-4:C-4:C-3:	C(CN[5]CH)(NCC)(O)	C(N[5]C[5]2)(CH3)(CNO)(H)	N(CCHH)2(CCO)	C(CN[5]CH)(NCC)(O)	C(N[5]C[5]2)(CH3)(CNO)(H)	N(CCHH)2(CCO)	119.1300	0.000	1	119.1300	0.000	1	118.6760	0.412	2	118.8109	1.433	15	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:2:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:O-2:	C[6]-3:C-3:H-1:	C(CC[6a]CO)(NC[6]H)(O)	C(C[6a]C[6a]2)(CF3)(CNO)(OC)	N(C[6]C[6]2)(CCO)(H)	C(CC[6a]CO)(NC[6]H)(O)	C(C[6a]C[6a]2)(CF3)(CNO)(OC)	N(C[6]C[6]2)(CCO)(H)	112.7840	0.000	1	112.7840	0.000	1	112.7840	0.000	1	114.0522	0.917	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:2:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C-3:H-1:	C(CC[6a]CO)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CCHO)(CNO)(OH)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]CO)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CCHO)(CNO)(OH)	N(C[6a]C[6a]2)(CCO)(H)	112.8160	0.000	1	112.8160	0.000	1	114.1931	0.808	9	114.0522	0.917	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:2:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C-3:H-1:	C(CC[6a]CO)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CC[6a]HH)(CNO)(OH)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]CO)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CC[6a]HH)(CNO)(OH)	N(C[6a]C[6a]2)(CCO)(H)	113.5040	0.045	2	113.5040	0.002	2	114.1931	0.808	9	114.0522	0.917	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:2:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C-3:H-1:	C(CC[6a]CO)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CF3)(CNO)(OC)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]CO)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CF3)(CNO)(OC)	N(C[6a]C[6a]2)(CCO)(H)	114.3660	0.455	3	114.3660	0.207	3	114.1931	0.808	9	114.0522	0.917	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:2:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C-3:H-1:	C(CC[6a]CO)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CH3)(CNO)(OC)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]CO)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CH3)(CNO)(OC)	N(C[6a]C[6a]2)(CCO)(H)	114.7930	1.147	2	114.7930	1.315	2	114.1931	0.808	9	114.0522	0.917	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:2:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:O-2:	C[6a]-3:C-3:H-1:	C(CC[6a]CO)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CH3)(CNO)(OH)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]CO)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CH3)(CNO)(OH)	N(C[6a]C[6a]2)(CCO)(H)	115.2300	0.000	1	115.2300	0.000	1	114.1931	0.808	9	114.0522	0.917	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:2:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-3:H-1:	C(CC[6a]CO)(NCH)(O)	C(C[6a]C[6a,6a]C[6a])(CF3)(CNO)(OH)	N(CC[6a]CH)(CCO)(H)	C(CC[6a]CO)(NCH)(O)	C(C[6a]C[6a,6a]C[6a])(CF3)(CNO)(OH)	N(CC[6a]CH)(CCO)(H)	117.8070	0.000	1	117.8070	0.000	1	117.1623	0.635	3	117.1623	0.635	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:2:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-3:H-1:	C(CC[6a]CO)(NCH)(O)	C(C[6a]C[6a,6a]C[6a])(CH3)(CNO)(OC)	N(CC[6a]CH)(CCO)(H)	C(CC[6a]CO)(NCH)(O)	C(C[6a]C[6a,6a]C[6a])(CH3)(CNO)(OC)	N(CC[6a]CH)(CCO)(H)	116.2710	0.000	1	116.2710	0.000	1	117.1623	0.635	3	117.1623	0.635	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:2:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:O-2:	C-4:C-3:H-1:	C(CC[6a]CO)(NCH)(O)	C(C[6a]C[6a]2)(CF3)(CNO)(OC)	N(CCCH)(CCO)(H)	C(CC[6a]CO)(NCH)(O)	C(C[6a]C[6a]2)(CF3)(CNO)(OC)	N(CCCH)(CCO)(H)	117.4090	0.000	1	117.4090	0.000	1	117.1623	0.635	3	117.1623	0.635	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:3:3:	3:1:1:	C-4:N-3:O-1:	C[6a]-3:C[6]-4:C-3:C-3:	C-3:H-1:H-1:	C(CC[6a]C[6]C)(NHH)(O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CNO)(COO)	N(CCO)(H)2	C(CC[6a]C[6]C)(NHH)(O)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CNO)(COO)	N(CCO)(H)2	115.0830	0.000	1	115.0830	0.000	1	115.0830	0.000	1	115.0830	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:4:3:	3:1:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-4:C-3:	C-3:H-1:H-1:	C(CC[6a]CC)(NHH)(O)	C(C[6a]C[6a]2)(CH3)2(CNO)	N(CCO)(H)2	C(CC[6a]CC)(NHH)(O)	C(C[6a]C[6a]2)(CH3)2(CNO)	N(CCO)(H)2	117.2180	0.000	1	117.2180	0.000	1	117.2180	0.000	1	117.2180	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:4:3:	3:2:1:	C-4:N-3:O-1:	C[5a]-3:C-4:C-4:C-3:	C-3:O-2:H-1:	C(CC[5a]CC)(NHO)(O)	C(C[5a]C[5a]O[5a])(CH3)2(CNO)	N(CCO)(OC)(H)	C(CC[5a]CC)(NHO)(O)	C(C[5a]C[5a]O[5a])(CH3)2(CNO)	N(CCO)(OC)(H)	114.1110	0.249	2	114.1110	0.062	2	114.1110	0.062	2	115.1203	3.087	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:4:3:	3:2:1:	C-4:N-3:O-1:	N-3:C-4:C-4:C-3:	C-3:O-2:H-1:	C(CCCN)(NHO)(O)	C(NC[6a]H)(CH3)2(CNO)	N(CCO)(OC)(H)	C(CCCN)(NHO)(O)	C(NC[6a]H)(CH3)2(CNO)	N(CCO)(OC)(H)	117.1390	0.000	1	117.1390	0.000	1	117.1390	0.000	1	115.1203	3.087	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:4:3:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-4:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]CC)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CCHH)(CH3)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]CC)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CCHH)(CH3)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	116.4180	1.623	3	116.4180	2.633	3	115.8558	2.082	5	114.7367	5.290	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:4:3:	3:3:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-4:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]CC)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CHHS)(CH3)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]CC)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CHHS)(CH3)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	115.0125	0.832	2	115.0125	0.693	2	115.8558	2.082	5	114.7367	5.290	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:4:3:	3:3:1:	C-4:N-3:O-1:	N[6,6]-3:C-4:C-4:C-3:	C[6a]-3:C-3:H-1:	C(CN[6,6]CC)(NC[6a]H)(O)	C(N[6,6]C[6,6]2)(CH3)2(CNO)	N(C[6a]C[6a]2)(CCO)(H)	C(CN[6,6]CC)(NC[6a]H)(O)	C(N[6,6]C[6,6]2)(CH3)2(CNO)	N(C[6a]C[6a]2)(CCO)(H)	111.9390	1.222	2	111.9390	1.493	2	111.9390	1.493	2	114.7367	5.290	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:4:3:	3:4:3:	C-4:N-3:O-1:	C[6]-3:C-4:C-4:C-3:	C[6a]-3:C-4:C-3:	C(CC[6]CC)(NC[6a]C)(O)	C(C[6]C[6]2)(CC[6a]HH)(CH3)(CNO)	N(C[6a]C[6a]2)(CH3)(CCO)	C(CC[6]CC)(NC[6a]C)(O)	C(C[6]C[6]2)(CC[6a]HH)(CH3)(CNO)	N(C[6a]C[6a]2)(CH3)(CCO)	120.4810	0.000	1	120.4810	0.000	1	120.4810	0.000	1	120.4810	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:4:3:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CC[6a]CC)(NCH)(O)	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(CNO)	N(CH3)(CCO)(H)	C(CC[6a]CC)(NCH)(O)	C(C[6a]C[6a]2)(CC[6a]HH)(CCHH)(CNO)	N(CH3)(CCO)(H)	116.7600	0.000	1	116.7600	0.000	1	116.7600	0.000	1	116.8579	0.744	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:4:3:	4:3:1:	C-4:N-3:O-1:	N-3:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CCCN)(NCH)(O)	C(NC[6a]H)(CCHH)(CH3)(CNO)	N(CC3)(CCO)(H)	C(CCCN)(NCH)(O)	C(NC[6a]H)(CCHH)(CH3)(CNO)	N(CC3)(CCO)(H)	116.2027	0.959	3	116.2027	0.920	3	116.2027	0.920	3	116.8579	0.744	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:4:3:	4:3:1:	C-4:N-3:O-1:	N[4]-3:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CN[4]CC)(NCH)(O)	C(N[4]C[4]2)(CH3)2(CNO)	N(CCCH)(CCO)(H)	C(CN[4]CC)(NCH)(O)	C(N[4]C[4]2)(CH3)2(CNO)	N(CCCH)(CCO)(H)	117.7505	0.576	2	117.7505	0.332	2	117.5767	0.257	3	116.8579	0.744	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:4:3:	4:3:1:	C-4:N-3:O-1:	N[4]-3:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CN[4]CC)(NCH)(O)	C(N[4]C[4]2)(CH3)2(CNO)	N(CH3)(CCO)(H)	C(CN[4]CC)(NCH)(O)	C(N[4]C[4]2)(CH3)2(CNO)	N(CH3)(CCO)(H)	117.2290	0.000	1	117.2290	0.000	1	117.5767	0.257	3	116.8579	0.744	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:4:4:3:	4:3:1:	C-4:N-3:O-1:	N[6a]-3:C-4:C-4:C-3:	C[6]-4:C-3:H-1:	C(CN[6a]CC)(NC[6]H)(O)	C(N[6a]C[6a]N[6a])(CH3)2(CNO)	N(C[6]C[6]2H)(CCO)(H)	C(CN[6a]CC)(NC[6]H)(O)	C(N[6a]C[6a]N[6a])(CH3)2(CNO)	N(C[6]C[6]2H)(CCO)(H)	116.7650	0.000	1	116.7650	0.000	1	116.7650	0.000	1	116.8579	0.744	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	3:5:3:1:	4:4:3:	C-4:N-3:O-1:	C[6]-3:P-5:C-3:H-1:	C-4:C-4:C-3:	C(CC[6]HP)(NCC)(O)	C(C[6]C[6]N[6])(PC[6a]2DyO)(CNO)(H)	N(CCHH)2(CCO)	C(CC[6]HP)(NCC)(O)	C(C[6]C[6]N[6])(PC[6a]2DyO)(CNO)(H)	N(CCHH)2(CCO)	116.0240	1.345	2	116.0240	1.809	2	116.0240	1.809	2	116.0240	1.809	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:2:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:N-2:C-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[6a]HH)(NC[5])(CNO)(H)	N(CH3)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[6a]HH)(NC[5])(CNO)(H)	N(CH3)(CCO)(H)	117.4380	0.000	1	117.4380	0.000	1	117.4380	0.000	1	117.4380	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:Br-1:H-1:	C-3:H-1:H-1:	C(CBrCH)(NHH)(O)	C(CN[6]HH)(CNO)(Br)(H)	N(CCO)(H)2	C(CBrCH)(NHH)(O)	C(CN[6]HH)(CNO)(Br)(H)	N(CCO)(H)2	116.4040	0.000	1	116.4040	0.000	1	116.4040	0.000	1	116.4553	1.922	142	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:F-1:F-1:	C-3:H-1:H-1:	C(CCFF)(NHH)(O)	C(CC[6]HN)(CNO)(F)2	N(CCO)(H)2	C(CCFF)(NHH)(O)	C(CC[6]HN)(CNO)(F)2	N(CCO)(H)2	116.2030	0.687	2	116.2030	0.472	2	116.2030	0.472	2	116.4553	1.922	142	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:F-1:H-1:	C-3:H-1:H-1:	C(CCFH)(NHH)(O)	C(CCHH)(CNO)(F)(H)	N(CCO)(H)2	C(CCFH)(NHH)(O)	C(CCHH)(CNO)(F)(H)	N(CCO)(H)2	118.7945	0.081	2	118.7945	0.007	2	118.7945	0.007	2	116.4553	1.922	142	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)(O)	C(CCHH)(CNO)(H)2	N(CCO)(H)2	C(CCHH)(NHH)(O)	C(CCHH)(CNO)(H)2	N(CCO)(H)2	116.1626	1.325	31	116.1626	1.756	31	116.5590	1.686	107	116.4553	1.922	142	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)(O)	C(CCHN)(CNO)(H)2	N(CCO)(H)2	C(CCHH)(NHH)(O)	C(CCHN)(CNO)(H)2	N(CCO)(H)2	117.1259	1.272	25	117.1259	1.618	25	116.5590	1.686	107	116.4553	1.922	142	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)(O)	C(CCHO)(CNO)(H)2	N(CCO)(H)2	C(CCHH)(NHH)(O)	C(CCHO)(CNO)(H)2	N(CCO)(H)2	116.5490	0.061	2	116.5490	0.004	2	116.5590	1.686	107	116.4553	1.922	142	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)(O)	C(CC[5]HH)(CNO)(H)2	N(CCO)(H)2	C(CCHH)(NHH)(O)	C(CC[5]HH)(CNO)(H)2	N(CCO)(H)2	117.0626	1.618	15	117.0626	2.618	15	116.5590	1.686	107	116.4553	1.922	142	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)(O)	C(CC[6]CH)(CNO)(H)2	N(CCO)(H)2	C(CCHH)(NHH)(O)	C(CC[6]CH)(CNO)(H)2	N(CCO)(H)2	116.2300	0.000	1	116.2300	0.000	1	116.5590	1.686	107	116.4553	1.922	142	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)(O)	C(CC[6]HH)(CNO)(H)2	N(CCO)(H)2	C(CCHH)(NHH)(O)	C(CC[6]HH)(CNO)(H)2	N(CCO)(H)2	116.7790	0.000	1	116.7790	0.000	1	116.5590	1.686	107	116.4553	1.922	142	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)(O)	C(CC[6]HO)(CNO)(H)2	N(CCO)(H)2	C(CCHH)(NHH)(O)	C(CC[6]HO)(CNO)(H)2	N(CCO)(H)2	113.4900	0.000	1	113.4900	0.000	1	116.5590	1.686	107	116.4553	1.922	142	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)(O)	C(CC[6a]2H)(CNO)(H)2	N(CCO)(H)2	C(CCHH)(NHH)(O)	C(CC[6a]2H)(CNO)(H)2	N(CCO)(H)2	116.9400	0.000	1	116.9400	0.000	1	116.5590	1.686	107	116.4553	1.922	142	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)(O)	C(CClHH)(CNO)(H)2	N(CCO)(H)2	C(CCHH)(NHH)(O)	C(CClHH)(CNO)(H)2	N(CCO)(H)2	116.1570	0.000	1	116.1570	0.000	1	116.5590	1.686	107	116.4553	1.922	142	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)(O)	C(CCoHH)(CNO)(H)2	N(CCO)(H)2	C(CCHH)(NHH)(O)	C(CCoHH)(CNO)(H)2	N(CCO)(H)2	115.1040	0.000	1	115.1040	0.000	1	116.5590	1.686	107	116.4553	1.922	142	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)(O)	C(CH3)(CNO)(H)2	N(CCO)(H)2	C(CCHH)(NHH)(O)	C(CH3)(CNO)(H)2	N(CCO)(H)2	117.7020	0.000	1	117.7020	0.000	1	116.5590	1.686	107	116.4553	1.922	142	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)(O)	C(CHHN)(CNO)(H)2	N(CCO)(H)2	C(CCHH)(NHH)(O)	C(CHHN)(CNO)(H)2	N(CCO)(H)2	116.6359	0.326	7	116.6359	0.106	7	116.5590	1.686	107	116.4553	1.922	142	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)(O)	C(CN[5a]HH)(CNO)(H)2	N(CCO)(H)2	C(CCHH)(NHH)(O)	C(CN[5a]HH)(CNO)(H)2	N(CCO)(H)2	116.1363	1.019	6	116.1363	1.038	6	116.5590	1.686	107	116.4553	1.922	142	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)(O)	C(CN[6]CH)(CNO)(H)2	N(CCO)(H)2	C(CCHH)(NHH)(O)	C(CN[6]CH)(CNO)(H)2	N(CCO)(H)2	116.2178	1.052	12	116.2178	1.106	12	116.5590	1.686	107	116.4553	1.922	142	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)(O)	C(CN[6a]HH)(CNO)(H)2	N(CCO)(H)2	C(CCHH)(NHH)(O)	C(CN[6a]HH)(CNO)(H)2	N(CCO)(H)2	116.6520	0.141	2	116.6520	0.020	2	116.5590	1.686	107	116.4553	1.922	142	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:1:1:	C-4:N-3:O-1:	C[5]-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CC[5]HH)(NHH)(O)	C(C[5]C[5,5]N[5]H)(CNO)(H)2	N(CCO)(H)2	C(CC[5]HH)(NHH)(O)	C(C[5]C[5,5]N[5]H)(CNO)(H)2	N(CCO)(H)2	116.5270	0.000	1	116.5270	0.000	1	116.7735	1.981	16	116.4553	1.922	142	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:1:1:	C-4:N-3:O-1:	C[5]-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CC[5]HH)(NHH)(O)	C(C[5]C[5]2C)(CNO)(H)2	N(CCO)(H)2	C(CC[5]HH)(NHH)(O)	C(C[5]C[5]2C)(CNO)(H)2	N(CCO)(H)2	116.8584	1.747	10	116.8584	3.053	10	116.7735	1.981	16	116.4553	1.922	142	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:1:1:	C-4:N-3:O-1:	C[5]-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CC[5]HH)(NHH)(O)	C(C[5]C[5]2H)(CNO)(H)2	N(CCO)(H)2	C(CC[5]HH)(NHH)(O)	C(C[5]C[5]2H)(CNO)(H)2	N(CCO)(H)2	116.6530	0.713	5	116.6530	0.509	5	116.7735	1.981	16	116.4553	1.922	142	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:1:1:	C-4:N-3:O-1:	C[6]-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CC[6]HH)(NHH)(O)	C(C[6]C[6]2C)(CNO)(H)2	N(CCO)(H)2	C(CC[6]HH)(NHH)(O)	C(C[6]C[6]2C)(CNO)(H)2	N(CCO)(H)2	117.7480	0.000	1	117.7480	0.000	1	116.9025	1.430	2	116.4553	1.922	142	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:1:1:	C-4:N-3:O-1:	C[6]-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CC[6]HH)(NHH)(O)	C(C[6]C[6]N[6]H)(CNO)(H)2	N(CCO)(H)2	C(CC[6]HH)(NHH)(O)	C(C[6]C[6]N[6]H)(CNO)(H)2	N(CCO)(H)2	116.0570	0.000	1	116.0570	0.000	1	116.9025	1.430	2	116.4553	1.922	142	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:1:1:	C-4:N-3:O-1:	N-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CHHN)(NHH)(O)	C(NC3)(CNO)(H)2	N(CCO)(H)2	C(CHHN)(NHH)(O)	C(NC3)(CNO)(H)2	N(CCO)(H)2	113.9920	0.000	1	113.9920	0.000	1	114.6881	0.808	12	116.4553	1.922	142	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:1:1:	C-4:N-3:O-1:	N-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CHHN)(NHH)(O)	C(NCCH)(CNO)(H)2	N(CCO)(H)2	C(CHHN)(NHH)(O)	C(NCCH)(CNO)(H)2	N(CCO)(H)2	114.0540	0.000	1	114.0540	0.000	1	114.6881	0.808	12	116.4553	1.922	142	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:1:1:	C-4:N-3:O-1:	N-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CHHN)(NHH)(O)	C(NCoCC)(CNO)(H)2	N(CCO)(H)2	C(CHHN)(NHH)(O)	C(NCoCC)(CNO)(H)2	N(CCO)(H)2	115.2608	0.615	4	115.2608	0.379	4	114.6881	0.808	12	116.4553	1.922	142	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:1:1:	C-4:N-3:O-1:	N-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CHHN)(NHH)(O)	C(NH3)(CNO)(H)2	N(CCO)(H)2	C(CHHN)(NHH)(O)	C(NH3)(CNO)(H)2	N(CCO)(H)2	115.7210	0.000	1	115.7210	0.000	1	114.6881	0.808	12	116.4553	1.922	142	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:1:1:	C-4:N-3:O-1:	N-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CHHN)(NHH)(O)	C(NNiCC)(CNO)(H)2	N(CCO)(H)2	C(CHHN)(NHH)(O)	C(NNiCC)(CNO)(H)2	N(CCO)(H)2	114.2894	0.961	5	114.2894	0.924	5	114.6881	0.808	12	116.4553	1.922	142	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:2:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:N-2:H-1:	C(CCHH)(NHN)(O)	C(CCHH)(CNO)(H)2	N(CCO)(NC)(H)	C(CCHH)(NHN)(O)	C(CCHH)(CNO)(H)2	N(CCO)(NC)(H)	116.2034	1.929	16	116.2034	3.722	16	116.7326	3.295	26	116.1678	3.845	34	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:2:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:N-2:H-1:	C(CCHH)(NHN)(O)	C(CC[6a]HH)(CNO)(H)2	N(CCO)(NC)(H)	C(CCHH)(NHN)(O)	C(CC[6a]HH)(CNO)(H)2	N(CCO)(NC)(H)	114.2530	0.000	1	114.2530	0.000	1	116.7326	3.295	26	116.1678	3.845	34	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:2:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:N-2:H-1:	C(CCHH)(NHN)(O)	C(CH3)(CNO)(H)2	N(CCO)(NC)(H)	C(CCHH)(NHN)(O)	C(CH3)(CNO)(H)2	N(CCO)(NC)(H)	117.8059	0.533	7	117.8059	0.284	7	116.7326	3.295	26	116.1678	3.845	34	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:2:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:N-2:H-1:	C(CCHH)(NHN)(O)	C(CHHS)(CNO)(H)2	N(CCO)(NC)(H)	C(CCHH)(NHN)(O)	C(CHHS)(CNO)(H)2	N(CCO)(NC)(H)	118.8140	0.000	1	118.8140	0.000	1	116.7326	3.295	26	116.1678	3.845	34	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:2:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:N-2:H-1:	C(CCHH)(NHN)(O)	C(CN[5a]HH)(CNO)(H)2	N(CCO)(NC)(H)	C(CCHH)(NHN)(O)	C(CN[5a]HH)(CNO)(H)2	N(CCO)(NC)(H)	118.0850	0.000	1	118.0850	0.000	1	116.7326	3.295	26	116.1678	3.845	34	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:2:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:O-2:H-1:	C(CCHH)(NHO)(O)	C(CCHH)(CNO)(H)2	N(CCO)(OC)(H)	C(CCHH)(NHO)(O)	C(CCHH)(CNO)(H)2	N(CCO)(OC)(H)	114.2490	0.000	1	114.2490	0.000	1	114.7020	0.267	7	116.1678	3.845	34	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:2:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:O-2:H-1:	C(CCHH)(NHO)(O)	C(CCHH)(CNO)(H)2	N(CCO)(OH)(H)	C(CCHH)(NHO)(O)	C(CCHH)(CNO)(H)2	N(CCO)(OH)(H)	114.2730	0.509	2	114.2730	0.259	2	114.7020	0.267	7	116.1678	3.845	34	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:2:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:O-2:H-1:	C(CCHH)(NHO)(O)	C(CCHO)(CNO)(H)2	N(CCO)(OC)(H)	C(CCHH)(NHO)(O)	C(CCHO)(CNO)(H)2	N(CCO)(OC)(H)	114.6590	0.000	1	114.6590	0.000	1	114.7020	0.267	7	116.1678	3.845	34	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:2:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:O-2:H-1:	C(CCHH)(NHO)(O)	C(CH3)(CNO)(H)2	N(CCO)(OH)(H)	C(CCHH)(NHO)(O)	C(CH3)(CNO)(H)2	N(CCO)(OH)(H)	115.1533	0.280	3	115.1533	0.078	3	114.7020	0.267	7	116.1678	3.845	34	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:2:1:	C-4:N-3:O-1:	N-4:C-3:H-1:H-1:	C-3:O-2:H-1:	C(CHHN)(NHO)(O)	C(NC3)(CNO)(H)2	N(CCO)(OH)(H)	C(CHHN)(NHO)(O)	C(NC3)(CNO)(H)2	N(CCO)(OH)(H)	111.7440	0.000	1	111.7440	0.000	1	111.7440	0.000	1	116.1678	3.845	34	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:C-3:H-1:	C(CCHH)(NCH)(O)	C(CCCH)(CNO)(H)2	N(CCO)(CNS)(H)	C(CCHH)(NCH)(O)	C(CCCH)(CNO)(H)2	N(CCO)(CNS)(H)	114.9980	0.000	1	114.9980	0.000	1	114.7175	1.666	61	114.6963	1.604	95	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:C-3:H-1:	C(CCHH)(NCH)(O)	C(CCCH)(CNO)(H)2	N(CC[6a]C)(CCO)(H)	C(CCHH)(NCH)(O)	C(CCCH)(CNO)(H)2	N(CC[6a]C)(CCO)(H)	116.0650	0.605	2	116.0650	0.366	2	114.7175	1.666	61	114.6963	1.604	95	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:C-3:H-1:	C(CCHH)(NCH)(O)	C(CCHH)(CNO)(H)2	N(CCH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CCHH)(CNO)(H)2	N(CCH)(CCO)(H)	115.7752	0.778	4	115.7752	0.605	4	114.7175	1.666	61	114.6963	1.604	95	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:C-3:H-1:	C(CCHH)(NCH)(O)	C(CCHH)(CNO)(H)2	N(CCO)(CNO)(H)	C(CCHH)(NCH)(O)	C(CCHH)(CNO)(H)2	N(CCO)(CNO)(H)	115.3712	0.364	13	115.3712	0.132	13	114.7175	1.666	61	114.6963	1.604	95	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:C-3:H-1:	C(CCHH)(NCH)(O)	C(CCHH)(CNO)(H)2	N(CCO)(CNS)(H)	C(CCHH)(NCH)(O)	C(CCHH)(CNO)(H)2	N(CCO)(CNS)(H)	114.0835	0.743	30	114.0835	0.552	30	114.7175	1.666	61	114.6963	1.604	95	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:C-3:H-1:	C(CCHH)(NCH)(O)	C(CCHN)(CNO)(H)2	N(CCC)(CCO)(H)	C(CCHH)(NCH)(O)	C(CCHN)(CNO)(H)2	N(CCC)(CCO)(H)	117.0220	0.000	1	117.0220	0.000	1	114.7175	1.666	61	114.6963	1.604	95	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:C-3:H-1:	C(CCHH)(NCH)(O)	C(CC[6a]HH)(CNO)(H)2	N(CCO)(CNO)(H)	C(CCHH)(NCH)(O)	C(CC[6a]HH)(CNO)(H)2	N(CCO)(CNO)(H)	113.3790	0.000	1	113.3790	0.000	1	114.7175	1.666	61	114.6963	1.604	95	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:C-3:H-1:	C(CCHH)(NCH)(O)	C(CC[6a]HH)(CNO)(H)2	N(CCO)2(H)	C(CCHH)(NCH)(O)	C(CC[6a]HH)(CNO)(H)2	N(CCO)2(H)	121.1010	0.000	1	121.1010	0.000	1	114.7175	1.666	61	114.6963	1.604	95	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:C-3:H-1:	C(CCHH)(NCH)(O)	C(CClHH)(CNO)(H)2	N(CCO)(CNS)(H)	C(CCHH)(NCH)(O)	C(CClHH)(CNO)(H)2	N(CCO)(CNS)(H)	114.4764	0.853	5	114.4764	0.728	5	114.7175	1.666	61	114.6963	1.604	95	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:C-3:H-1:	C(CCHH)(NCH)(O)	C(CH3)(CNO)(H)2	N(CCO)(CNS)(H)	C(CCHH)(NCH)(O)	C(CH3)(CNO)(H)2	N(CCO)(CNS)(H)	114.1035	0.179	2	114.1035	0.032	2	114.7175	1.666	61	114.6963	1.604	95	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:C-3:H-1:	C(CCHH)(NCH)(O)	C(CH3)(CNO)(H)2	N(CCO)(COO)(H)	C(CCHH)(NCH)(O)	C(CH3)(CNO)(H)2	N(CCO)(COO)(H)	113.1180	0.000	1	113.1180	0.000	1	114.7175	1.666	61	114.6963	1.604	95	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:N-3:H-1:	C(CCHH)(NHN)(O)	C(CCCH)(CNO)(H)2	N(CCO)(NCH)(H)	C(CCHH)(NHN)(O)	C(CCCH)(CNO)(H)2	N(CCO)(NCH)(H)	114.7040	0.000	1	114.7040	0.000	1	115.0217	1.042	14	114.6963	1.604	95	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:N-3:H-1:	C(CCHH)(NHN)(O)	C(CCHH)(CNO)(H)2	N(CCO)(NCH)(H)	C(CCHH)(NHN)(O)	C(CCHH)(CNO)(H)2	N(CCO)(NCH)(H)	114.0932	0.607	5	114.0932	0.368	5	115.0217	1.042	14	114.6963	1.604	95	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:N-3:H-1:	C(CCHH)(NHN)(O)	C(CCHN)(CNO)(H)2	N(CCO)(NCC)(H)	C(CCHH)(NHN)(O)	C(CCHN)(CNO)(H)2	N(CCO)(NCC)(H)	115.7030	0.000	1	115.7030	0.000	1	115.0217	1.042	14	114.6963	1.604	95	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:N-3:H-1:	C(CCHH)(NHN)(O)	C(CC[6a]HH)(CNO)(H)2	N(CCO)(NHH)(H)	C(CCHH)(NHN)(O)	C(CC[6a]HH)(CNO)(H)2	N(CCO)(NHH)(H)	115.8683	0.587	3	115.8683	0.344	3	115.0217	1.042	14	114.6963	1.604	95	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:N-3:H-1:	C(CCHH)(NHN)(O)	C(CH3)(CNO)(H)2	N(CCO)(NCH)(H)	C(CCHH)(NHN)(O)	C(CH3)(CNO)(H)2	N(CCO)(NCH)(H)	115.0770	0.968	3	115.0770	0.937	3	115.0217	1.042	14	114.6963	1.604	95	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:N-3:H-1:	C(CCHH)(NHN)(O)	C(CN[5a]HH)(CNO)(H)2	N(CCO)(NHH)(H)	C(CCHH)(NHN)(O)	C(CN[5a]HH)(CNO)(H)2	N(CCO)(NHH)(H)	116.5950	0.000	1	116.5950	0.000	1	115.0217	1.042	14	114.6963	1.604	95	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	N-3:C-3:H-1:	C(CCHH)(NHN)(O)	C(CCHH)(CNO)(H)2	N(NC[6a]H)(CCO)(H)	C(CCHH)(NHN)(O)	C(CCHH)(CNO)(H)2	N(NC[6a]H)(CCO)(H)	115.6300	0.000	1	115.6300	0.000	1	115.3370	0.172	2	114.6963	1.604	95	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	N-3:C-3:H-1:	C(CCHH)(NHN)(O)	C(CH3)(CNO)(H)2	N(NC[6a]H)(CCO)(H)	C(CCHH)(NHN)(O)	C(CH3)(CNO)(H)2	N(NC[6a]H)(CCO)(H)	115.0440	0.000	1	115.0440	0.000	1	115.3370	0.172	2	114.6963	1.604	95	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[3x6]-4:C-3:H-1:H-1:	C[5a]-3:C-3:H-1:	C(CC[3x6]HH)(NC[5a]H)(O)	C(C[3x6]C[6,6]3)(CNO)(H)2	N(C[5a]N[5a]S[5a])(CCO)(H)	C(CC[3x6]HH)(NC[5a]H)(O)	C(C[3x6]C[6,6]3)(CNO)(H)2	N(C[5a]N[5a]S[5a])(CCO)(H)	115.5090	0.047	2	115.5090	0.002	2	115.5090	0.002	2	114.6963	1.604	95	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[3x6]-4:C-3:H-1:H-1:	N-3:C-3:H-1:	C(CC[3x6]HH)(NHN)(O)	C(C[3x6]C[6,6]3)(CNO)(H)2	N(NSnC)(CCO)(H)	C(CC[3x6]HH)(NHN)(O)	C(C[3x6]C[6,6]3)(CNO)(H)2	N(NSnC)(CCO)(H)	113.2490	1.513	2	113.2490	2.290	2	113.2490	2.290	2	114.6963	1.604	95	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[4]-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(CC[4]HH)(NC[6a]H)(O)	C(C[4]C[4]2H)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(CC[4]HH)(NC[6a]H)(O)	C(C[4]C[4]2H)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	115.6740	0.000	1	115.6740	0.000	1	115.7353	0.387	4	114.6963	1.604	95	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[4]-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(CC[4]HH)(NC[6a]H)(O)	C(C[4]C[6a]C[4]2)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CC[4]HH)(NC[6a]H)(O)	C(C[4]C[6a]C[4]2)(CNO)(H)2	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	115.7557	0.760	3	115.7557	0.578	3	115.7353	0.387	4	114.6963	1.604	95	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(CC[5]HH)(NC[6a]H)(O)	C(C[5]C[5,6a]C[5,5]H)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5]HH)(NC[6a]H)(O)	C(C[5]C[5,6a]C[5,5]H)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	113.9080	0.000	1	113.9080	0.000	1	113.6947	0.045	3	114.6963	1.604	95	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[5]-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(CC[5]HH)(NC[6a]H)(O)	C(C[5]C[5]S[5]H)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5]HH)(NC[6a]H)(O)	C(C[5]C[5]S[5]H)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	113.5880	0.144	2	113.5880	0.021	2	113.6947	0.045	3	114.6963	1.604	95	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[6]-4:C-3:H-1:H-1:	C-3:N-3:H-1:	C(CC[6]HH)(NHN)(O)	C(C[6]C[6]2C)(CNO)(H)2	N(CCO)(NCH)(H)	C(CC[6]HH)(NHN)(O)	C(C[6]C[6]2C)(CNO)(H)2	N(CCO)(NCH)(H)	113.1450	0.000	1	113.1450	0.000	1	113.1450	0.000	1	114.6963	1.604	95	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(CC[6]HH)(NC[6a]H)(O)	C(C[6]C[6,6]C[6]H)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6]HH)(NC[6a]H)(O)	C(C[6]C[6,6]C[6]H)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	114.4950	0.000	1	114.4950	0.000	1	114.5563	0.277	3	114.6963	1.604	95	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(CC[6]HH)(NC[6a]H)(O)	C(C[6]C[6,6a]C[6]H)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6]HH)(NC[6a]H)(O)	C(C[6]C[6,6a]C[6]H)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	115.1110	0.000	1	115.1110	0.000	1	114.5563	0.277	3	114.6963	1.604	95	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(CC[6]HH)(NC[6a]H)(O)	C(C[6]C[6]2H)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6]HH)(NC[6a]H)(O)	C(C[6]C[6]2H)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	114.0630	0.000	1	114.0630	0.000	1	114.5563	0.277	3	114.6963	1.604	95	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:3:1:	C-4:N-3:O-1:	N-4:C-3:H-1:H-1:	C-3:C-3:H-1:	C(CHHN)(NCH)(O)	C(NH3)(CNO)(H)2	N(CCC)(CCO)(H)	C(CHHN)(NCH)(O)	C(NH3)(CNO)(H)2	N(CCC)(CCO)(H)	115.1510	0.000	1	115.1510	0.000	1	115.1510	0.000	1	114.6963	1.604	95	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:3:1:	C-4:N-3:O-1:	N-4:C-3:H-1:H-1:	C-3:N-3:H-1:	C(CHHN)(NHN)(O)	C(NC3)(CNO)(H)2	N(CCO)(NCH)(H)	C(CHHN)(NHN)(O)	C(NC3)(CNO)(H)2	N(CCO)(NCH)(H)	111.9505	0.276	2	111.9505	0.076	2	111.9505	0.076	2	114.6963	1.604	95	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:4:3:	C-4:N-3:O-1:	C-4:C-3:Cl-1:H-1:	C-3:C-4:C-3:	C(CClCH)(NCC)(O)	C(CCHH)(CNO)(Cl)(H)	N(CC[6a]O)(CCHH)(CCO)	C(CClCH)(NCC)(O)	C(CCHH)(CNO)(Cl)(H)	N(CC[6a]O)(CCHH)(CCO)	115.2290	0.000	1	115.2290	0.000	1	115.2290	0.000	1	117.6696	2.509	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:4:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:C-4:C-3:	C(CCHH)(NCC)(O)	C(CC[6a]CH)(CNO)(H)2	N(CC[6a]O)(CCHH)(CCO)	C(CCHH)(NCC)(O)	C(CC[6a]CH)(CNO)(H)2	N(CC[6a]O)(CCHH)(CCO)	116.9930	0.000	1	116.9930	0.000	1	116.6175	0.282	2	117.6696	2.509	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:4:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:C-4:C-3:	C(CCHH)(NCC)(O)	C(CC[6a]HN)(CNO)(H)2	N(CC[5a]O)(CCHH)(CCO)	C(CCHH)(NCC)(O)	C(CC[6a]HN)(CNO)(H)2	N(CC[5a]O)(CCHH)(CCO)	116.2420	0.000	1	116.2420	0.000	1	116.6175	0.282	2	117.6696	2.509	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:4:3:	C-4:N-3:O-1:	C[3]-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(CC[3]HH)(NC[6a]C)(O)	C(C[3]C[3]2C)(CNO)(H)2	N(C[6a]C[6a]2)(CC[6a]HS)(CCO)	C(CC[3]HH)(NC[6a]C)(O)	C(C[3]C[3]2C)(CNO)(H)2	N(C[6a]C[6a]2)(CC[6a]HS)(CCO)	119.1247	0.329	3	119.1247	0.109	3	119.1247	0.109	3	117.6696	2.509	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	3:4:3:	C-4:N-3:O-1:	C[6]-4:C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(CC[6]HH)(NC[6a]C)(O)	C(C[6]C[6,6a]C[6]C)(CNO)(H)2	N(C[6a]C[6a]2)(CH3)(CCO)	C(CC[6]HH)(NC[6a]C)(O)	C(C[6]C[6,6a]C[6]C)(CNO)(H)2	N(C[6a]C[6a]2)(CH3)(CCO)	117.8490	0.000	1	117.8490	0.000	1	117.8490	0.000	1	117.6696	2.509	7	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-3:O-1:	C(CCHH)(NCO)(H)	C(CCCH)(CHN)(H)2	N(CC[6a]CH)(CCH)(O)	C(CCHH)(NCO)(H)	C(CCCH)(CHN)(H)2	N(CC[6a]CH)(CCH)(O)	122.2890	0.000	1	122.2890	0.000	1	122.2890	0.000	1	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:Cl-1:H-1:	C-4:C-3:H-1:	C(CClCH)(NCH)(O)	C(CCHH)(CNO)(Cl)(H)	N(CCHH)(CCO)(H)	C(CClCH)(NCH)(O)	C(CCHH)(CNO)(Cl)(H)	N(CCHH)(CCO)(H)	120.6960	0.000	1	120.6960	0.000	1	117.7360	17.523	2	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:Cl-1:H-1:	C-4:C-3:H-1:	C(CClCH)(NCH)(O)	C(CH3)(CNO)(Cl)(H)	N(CCHH)(CCO)(H)	C(CClCH)(NCH)(O)	C(CH3)(CNO)(Cl)(H)	N(CCHH)(CCO)(H)	114.7760	0.000	1	114.7760	0.000	1	117.7360	17.523	2	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:F-1:F-1:	C-4:C-3:H-1:	C(CCFF)(NCH)(O)	C(CC[6a]CO)(CNO)(F)2	N(CC[6a]CH)(CCO)(H)	C(CCFF)(NCH)(O)	C(CC[6a]CO)(CNO)(F)2	N(CC[6a]CH)(CCO)(H)	116.8590	0.272	2	116.8590	0.074	2	116.8590	0.074	2	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:F-1:F-1:	P-4:C-3:H-1:	C(CCFF)(NHP)(O)	C(CCFF)(CNO)(F)2	N(PO3)(CCO)(H)	C(CCFF)(NHP)(O)	C(CCFF)(CNO)(F)2	N(PO3)(CCO)(H)	114.4450	0.000	1	114.4450	0.000	1	114.4450	0.000	1	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:F-1:H-1:	C-4:C-3:H-1:	C(CCFH)(NCH)(O)	C(CCHH)(CNO)(F)(H)	N(CC[6a]HH)(CCO)(H)	C(CCFH)(NCH)(O)	C(CCHH)(CNO)(F)(H)	N(CC[6a]HH)(CCO)(H)	117.0222	0.486	4	117.0222	0.237	4	117.3085	0.258	8	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:F-1:H-1:	C-4:C-3:H-1:	C(CCFH)(NCH)(O)	C(CC[6a]CO)(CNO)(F)(H)	N(CC[6a]CH)(CCO)(H)	C(CCFH)(NCH)(O)	C(CC[6a]CO)(CNO)(F)(H)	N(CC[6a]CH)(CCO)(H)	117.7385	0.585	2	117.7385	0.342	2	117.3085	0.258	8	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:F-1:H-1:	C-4:C-3:H-1:	C(CCFH)(NCH)(O)	C(CH3)(CNO)(F)(H)	N(CC[6a]HH)(CCO)(H)	C(CCFH)(NCH)(O)	C(CH3)(CNO)(F)(H)	N(CC[6a]HH)(CCO)(H)	117.4510	0.122	2	117.4510	0.015	2	117.3085	0.258	8	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CCCH)(CNO)(H)2	N(CC3)(CCO)(H)	C(CCHH)(NCH)(O)	C(CCCH)(CNO)(H)2	N(CC3)(CCO)(H)	115.3300	0.000	1	115.3300	0.000	1	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CCCH)(CNO)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CCCH)(CNO)(H)2	N(CCCH)(CCO)(H)	115.1685	1.919	11	115.1685	3.684	11	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CCHH)(CNO)(H)2	N(CC3)(CCO)(H)	C(CCHH)(NCH)(O)	C(CCHH)(CNO)(H)2	N(CC3)(CCO)(H)	116.2086	0.225	11	116.2086	0.051	11	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CCHH)(CNO)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CCHH)(CNO)(H)2	N(CCCH)(CCO)(H)	116.3535	1.515	54	116.3535	2.297	54	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CCHH)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CCHH)(CNO)(H)2	N(CCHH)(CCO)(H)	116.9997	1.413	37	116.9997	1.995	37	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CCHH)(CNO)(H)2	N(CC[5]CH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CCHH)(CNO)(H)2	N(CC[5]CH)(CCO)(H)	114.7980	0.000	1	114.7980	0.000	1	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CCHH)(CNO)(H)2	N(CC[5a]CH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CCHH)(CNO)(H)2	N(CC[5a]CH)(CCO)(H)	114.8910	1.225	2	114.8910	1.500	2	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CCHH)(CNO)(H)2	N(CC[6a]CH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CCHH)(CNO)(H)2	N(CC[6a]CH)(CCO)(H)	116.4690	0.000	1	116.4690	0.000	1	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CCHH)(CNO)(H)2	N(CC[6a]HH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CCHH)(CNO)(H)2	N(CC[6a]HH)(CCO)(H)	115.9448	1.778	5	115.9448	3.163	5	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CCHH)(CNO)(H)2	N(CH3)(CCO)(H)	C(CCHH)(NCH)(O)	C(CCHH)(CNO)(H)2	N(CH3)(CCO)(H)	116.3920	1.028	7	116.3920	1.057	7	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CCHH)(CNO)(H)2	N(CHHO)(CCO)(H)	C(CCHH)(NCH)(O)	C(CCHH)(CNO)(H)2	N(CHHO)(CCO)(H)	117.3040	0.000	1	117.3040	0.000	1	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CCHN)(CNO)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CCHN)(CNO)(H)2	N(CCCH)(CCO)(H)	115.3515	0.257	2	115.3515	0.066	2	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CCHN)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CCHN)(CNO)(H)2	N(CCHH)(CCO)(H)	117.6190	0.000	1	117.6190	0.000	1	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CCHN)(CNO)(H)2	N(CC[6]HH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CCHN)(CNO)(H)2	N(CC[6]HH)(CCO)(H)	116.3860	0.000	1	116.3860	0.000	1	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CCHN)(CNO)(H)2	N(CC[6a]CC)(CCO)(H)	C(CCHH)(NCH)(O)	C(CCHN)(CNO)(H)2	N(CC[6a]CC)(CCO)(H)	116.7680	0.000	1	116.7680	0.000	1	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CCHN)(CNO)(H)2	N(CC[6a]HH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CCHN)(CNO)(H)2	N(CC[6a]HH)(CCO)(H)	115.5340	0.000	1	115.5340	0.000	1	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CCHN)(CNO)(H)2	N(CH3)(CCO)(H)	C(CCHH)(NCH)(O)	C(CCHN)(CNO)(H)2	N(CH3)(CCO)(H)	115.2935	2.677	4	115.2935	7.165	4	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CCHO)(CNO)(H)2	N(CC3)(CCO)(H)	C(CCHH)(NCH)(O)	C(CCHO)(CNO)(H)2	N(CC3)(CCO)(H)	116.1290	0.000	1	116.1290	0.000	1	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CCHO)(CNO)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CCHO)(CNO)(H)2	N(CCCH)(CCO)(H)	117.0053	0.238	3	117.0053	0.057	3	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CCHO)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CCHO)(CNO)(H)2	N(CCHH)(CCO)(H)	116.6710	0.272	2	116.6710	0.074	2	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CCHO)(CNO)(H)2	N(CH3)(CCO)(H)	C(CCHH)(NCH)(O)	C(CCHO)(CNO)(H)2	N(CH3)(CCO)(H)	115.5870	0.000	1	115.5870	0.000	1	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CCHS)(CNO)(H)2	N(CC3)(CCO)(H)	C(CCHH)(NCH)(O)	C(CCHS)(CNO)(H)2	N(CC3)(CCO)(H)	114.8150	0.000	1	114.8150	0.000	1	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CC[3]HH)(CNO)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CC[3]HH)(CNO)(H)2	N(CCCH)(CCO)(H)	115.0930	0.000	1	115.0930	0.000	1	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CC[5]CH)(CNO)(H)2	N(CC[6a]HH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CC[5]CH)(CNO)(H)2	N(CC[6a]HH)(CCO)(H)	115.5846	0.452	5	115.5846	0.204	5	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CC[5]HH)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CC[5]HH)(CNO)(H)2	N(CCHH)(CCO)(H)	116.6480	0.471	2	116.6480	0.222	2	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CC[5]HN)(CNO)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CC[5]HN)(CNO)(H)2	N(CCCH)(CCO)(H)	116.0780	0.000	1	116.0780	0.000	1	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CC[5a]CH)(CNO)(H)2	N(CC[6a]CH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CC[5a]CH)(CNO)(H)2	N(CC[6a]CH)(CCO)(H)	116.3960	0.000	1	116.3960	0.000	1	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CC[5a]C[6a]H)(CNO)(H)2	N(CC[6a]CH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CC[5a]C[6a]H)(CNO)(H)2	N(CC[6a]CH)(CCO)(H)	116.7100	0.000	1	116.7100	0.000	1	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CC[5a]HO)(CNO)(H)2	N(CH3)(CCO)(H)	C(CCHH)(NCH)(O)	C(CC[5a]HO)(CNO)(H)2	N(CH3)(CCO)(H)	115.8590	0.000	1	115.8590	0.000	1	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CC[6a]CH)(CNO)(H)2	N(CC[6a]HH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CC[6a]CH)(CNO)(H)2	N(CC[6a]HH)(CCO)(H)	116.0355	0.316	4	116.0355	0.100	4	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CC[6a]CS)(CNO)(H)2	N(CC[6a]HH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CC[6a]CS)(CNO)(H)2	N(CC[6a]HH)(CCO)(H)	114.8840	0.000	1	114.8840	0.000	1	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CC[6a]HH)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CC[6a]HH)(CNO)(H)2	N(CCHH)(CCO)(H)	116.9590	0.000	1	116.9590	0.000	1	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CC[6a]HH)(CNO)(H)2	N(CC[6a]HH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CC[6a]HH)(CNO)(H)2	N(CC[6a]HH)(CCO)(H)	115.9140	0.000	1	115.9140	0.000	1	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CC[6a]HH)(CNO)(H)2	N(CH3)(CCO)(H)	C(CCHH)(NCH)(O)	C(CC[6a]HH)(CNO)(H)2	N(CH3)(CCO)(H)	116.4260	0.000	1	116.4260	0.000	1	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CC[6a]HN)(CNO)(H)2	N(CC3)(CCO)(H)	C(CCHH)(NCH)(O)	C(CC[6a]HN)(CNO)(H)2	N(CC3)(CCO)(H)	119.9590	0.000	1	119.9590	0.000	1	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CC[6a]HN)(CNO)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CC[6a]HN)(CNO)(H)2	N(CCCH)(CCO)(H)	118.1172	0.299	4	118.1172	0.090	4	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CC[6a]HN)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CC[6a]HN)(CNO)(H)2	N(CCHH)(CCO)(H)	116.5510	4.029	2	116.5510	16.234	2	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CC[6a]HN)(CNO)(H)2	N(CH3)(CCO)(H)	C(CCHH)(NCH)(O)	C(CC[6a]HN)(CNO)(H)2	N(CH3)(CCO)(H)	116.0100	0.000	1	116.0100	0.000	1	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CC[6a]HO)(CNO)(H)2	N(CC[5]HH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CC[6a]HO)(CNO)(H)2	N(CC[5]HH)(CCO)(H)	115.2707	0.758	3	115.2707	0.574	3	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CH3)(CNO)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CH3)(CNO)(H)2	N(CCCH)(CCO)(H)	117.2260	1.140	2	117.2260	1.299	2	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CH3)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CH3)(CNO)(H)2	N(CCHH)(CCO)(H)	116.7133	1.126	3	116.7133	1.267	3	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CH3)(CNO)(H)2	N(CC[5a]CH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CH3)(CNO)(H)2	N(CC[5a]CH)(CCO)(H)	115.2010	0.476	4	115.2010	0.227	4	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CH3)(CNO)(H)2	N(CC[5a]HH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CH3)(CNO)(H)2	N(CC[5a]HH)(CCO)(H)	115.0480	0.000	1	115.0480	0.000	1	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CHHN)(CNO)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CHHN)(CNO)(H)2	N(CCCH)(CCO)(H)	116.1293	1.374	11	116.1293	1.888	11	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CHHN)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CHHN)(CNO)(H)2	N(CCHH)(CCO)(H)	116.7536	1.678	18	116.7536	2.817	18	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CHHN)(CNO)(H)2	N(CC[6a]HH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CHHN)(CNO)(H)2	N(CC[6a]HH)(CCO)(H)	116.8910	0.000	1	116.8910	0.000	1	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CHHN)(CNO)(H)2	N(CH3)(CCO)(H)	C(CCHH)(NCH)(O)	C(CHHN)(CNO)(H)2	N(CH3)(CCO)(H)	115.6000	0.000	1	115.6000	0.000	1	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CHHS)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CHHS)(CNO)(H)2	N(CCHH)(CCO)(H)	115.5133	0.669	3	115.5133	0.448	3	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CN[5]HH)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CN[5]HH)(CNO)(H)2	N(CCHH)(CCO)(H)	120.9450	0.000	1	120.9450	0.000	1	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CN[5a]HH)(CNO)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CN[5a]HH)(CNO)(H)2	N(CCCH)(CCO)(H)	116.1650	0.000	1	116.1650	0.000	1	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CN[5a]HO)(CNO)(H)2	N(CH3)(CCO)(H)	C(CCHH)(NCH)(O)	C(CN[5a]HO)(CNO)(H)2	N(CH3)(CCO)(H)	116.1660	1.054	2	116.1660	1.110	2	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CN[6]HH)(CNO)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CN[6]HH)(CNO)(H)2	N(CCCH)(CCO)(H)	115.5232	0.203	6	115.5232	0.041	6	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CN[6]HH)(CNO)(H)2	N(CH3)(CCO)(H)	C(CCHH)(NCH)(O)	C(CN[6]HH)(CNO)(H)2	N(CH3)(CCO)(H)	116.0460	0.391	4	116.0460	0.153	4	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CN[6a]HH)(CNO)(H)2	N(CCCH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CN[6a]HH)(CNO)(H)2	N(CCCH)(CCO)(H)	116.2530	0.918	4	116.2530	0.843	4	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CSiHH)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CSiHH)(CNO)(H)2	N(CCHH)(CCO)(H)	119.9345	0.343	2	119.9345	0.118	2	116.3590	2.169	244	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	S-4:C-3:H-1:	C(CCHH)(NHS)(O)	C(CCHH)(CNO)(H)2	N(SC[6a]OO)(CCO)(H)	C(CCHH)(NHS)(O)	C(CCHH)(CNO)(H)2	N(SC[6a]OO)(CCO)(H)	114.0479	0.746	7	114.0479	0.556	7	114.0980	0.497	8	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	S-4:C-3:H-1:	C(CCHH)(NHS)(O)	C(CH3)(CNO)(H)2	N(SC[6a]OO)(CCO)(H)	C(CCHH)(NHS)(O)	C(CH3)(CNO)(H)2	N(SC[6a]OO)(CCO)(H)	114.4490	0.000	1	114.4490	0.000	1	114.0980	0.497	8	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[5,6]-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[5,6]HH)(NCH)(O)	C(C[5,6]C[5,5,6,6]C[4,5,6]O)(CNO)(H)2	N(CCCH)(CCO)(H)	C(CC[5,6]HH)(NCH)(O)	C(C[5,6]C[5,5,6,6]C[4,5,6]O)(CNO)(H)2	N(CCCH)(CCO)(H)	117.1485	0.450	2	117.1485	0.203	2	117.1485	0.203	2	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[5]-4:C-3:F-1:H-1:	C-4:C-3:H-1:	C(CC[5]FH)(NCH)(O)	C(C[5]C[5]N[5]H)(CNO)(F)(H)	N(CH3)(CCO)(H)	C(CC[5]FH)(NCH)(O)	C(C[5]C[5]N[5]H)(CNO)(F)(H)	N(CH3)(CCO)(H)	117.0832	1.097	4	117.0832	1.204	4	117.0832	1.204	4	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[5]-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[5]HH)(NCH)(O)	C(C[5]C[5,6a]C[5]C)(CNO)(H)2	N(CH3)(CCO)(H)	C(CC[5]HH)(NCH)(O)	C(C[5]C[5,6a]C[5]C)(CNO)(H)2	N(CH3)(CCO)(H)	116.0260	0.000	1	116.0260	0.000	1	116.2329	1.466	15	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[5]-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[5]HH)(NCH)(O)	C(C[5]C[5]2C)(CNO)(H)2	N(CC3)(CCO)(H)	C(CC[5]HH)(NCH)(O)	C(C[5]C[5]2C)(CNO)(H)2	N(CC3)(CCO)(H)	116.3720	0.000	1	116.3720	0.000	1	116.2329	1.466	15	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[5]-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[5]HH)(NCH)(O)	C(C[5]C[5]2C)(CNO)(H)2	N(CCCH)(CCO)(H)	C(CC[5]HH)(NCH)(O)	C(C[5]C[5]2C)(CNO)(H)2	N(CCCH)(CCO)(H)	118.2240	0.000	1	118.2240	0.000	1	116.2329	1.466	15	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[5]-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[5]HH)(NCH)(O)	C(C[5]C[5]2H)(CNO)(H)2	N(CCCH)(CCO)(H)	C(CC[5]HH)(NCH)(O)	C(C[5]C[5]2H)(CNO)(H)2	N(CCCH)(CCO)(H)	116.5345	0.507	2	116.5345	0.257	2	116.2329	1.466	15	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[5]-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[5]HH)(NCH)(O)	C(C[5]C[5]N[5]H)(CNO)(H)2	N(CC3)(CCO)(H)	C(CC[5]HH)(NCH)(O)	C(C[5]C[5]N[5]H)(CNO)(H)2	N(CC3)(CCO)(H)	115.2490	0.000	1	115.2490	0.000	1	116.2329	1.466	15	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[5]-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[5]HH)(NCH)(O)	C(C[5]C[5]N[5]H)(CNO)(H)2	N(CCCH)(CCO)(H)	C(CC[5]HH)(NCH)(O)	C(C[5]C[5]N[5]H)(CNO)(H)2	N(CCCH)(CCO)(H)	119.1280	0.000	1	119.1280	0.000	1	116.2329	1.466	15	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[5]-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[5]HH)(NCH)(O)	C(C[5]C[5]N[5]H)(CNO)(H)2	N(CC[6a]CH)(CCO)(H)	C(CC[5]HH)(NCH)(O)	C(C[5]C[5]N[5]H)(CNO)(H)2	N(CC[6a]CH)(CCO)(H)	116.4510	0.112	2	116.4510	0.012	2	116.2329	1.466	15	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[5]-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[5]HH)(NCH)(O)	C(C[5]C[5]N[5]H)(CNO)(H)2	N(CC[6a]HH)(CCO)(H)	C(CC[5]HH)(NCH)(O)	C(C[5]C[5]N[5]H)(CNO)(H)2	N(CC[6a]HH)(CCO)(H)	116.0760	0.129	2	116.0760	0.017	2	116.2329	1.466	15	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[5]-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[5]HH)(NCH)(O)	C(C[5]C[5]N[5]H)(CNO)(H)2	N(CH3)(CCO)(H)	C(CC[5]HH)(NCH)(O)	C(C[5]C[5]N[5]H)(CNO)(H)2	N(CH3)(CCO)(H)	115.0930	0.669	4	115.0930	0.447	4	116.2329	1.466	15	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[5]-4:C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C(CC[5]HH)(NC[6]H)(O)	C(C[5]C[5]N[5]C)(CNO)(H)2	N(C[6]C[6]2H)(CCO)(H)	C(CC[5]HH)(NC[6]H)(O)	C(C[5]C[5]N[5]C)(CNO)(H)2	N(C[6]C[6]2H)(CCO)(H)	115.3500	0.280	2	115.3500	0.078	2	115.3500	0.078	2	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[6]-4:C-3:F-1:F-1:	C-4:C-3:H-1:	C(CC[6]FF)(NCH)(O)	C(C[6]C[6,6a]C[6]O)(CNO)(F)2	N(CC[6a]CH)(CCO)(H)	C(CC[6]FF)(NCH)(O)	C(C[6]C[6,6a]C[6]O)(CNO)(F)2	N(CC[6a]CH)(CCO)(H)	115.6790	0.000	1	115.6790	0.000	1	115.6790	0.000	1	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[6]-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[6]HH)(NCH)(O)	C(C[6]C[6]2C)(CNO)(H)2	N(CC3)(CCO)(H)	C(CC[6]HH)(NCH)(O)	C(C[6]C[6]2C)(CNO)(H)2	N(CC3)(CCO)(H)	114.7198	1.411	8	114.7198	1.992	8	115.2291	1.760	19	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[6]-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[6]HH)(NCH)(O)	C(C[6]C[6]2C)(CNO)(H)2	N(CCCH)(CCO)(H)	C(CC[6]HH)(NCH)(O)	C(C[6]C[6]2C)(CNO)(H)2	N(CCCH)(CCO)(H)	115.2555	1.350	2	115.2555	1.822	2	115.2291	1.760	19	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[6]-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[6]HH)(NCH)(O)	C(C[6]C[6]2C)(CNO)(H)2	N(CC[6a]CH)(CCO)(H)	C(CC[6]HH)(NCH)(O)	C(C[6]C[6]2C)(CNO)(H)2	N(CC[6a]CH)(CCO)(H)	115.9630	0.000	1	115.9630	0.000	1	115.2291	1.760	19	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[6]-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[6]HH)(NCH)(O)	C(C[6]C[6]2H)(CNO)(H)2	N(CC3)(CCO)(H)	C(CC[6]HH)(NCH)(O)	C(C[6]C[6]2H)(CNO)(H)2	N(CC3)(CCO)(H)	114.9485	1.224	2	114.9485	1.498	2	115.2291	1.760	19	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[6]-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[6]HH)(NCH)(O)	C(C[6]C[6]N[6]H)(CNO)(H)2	N(CCCH)(CCO)(H)	C(CC[6]HH)(NCH)(O)	C(C[6]C[6]N[6]H)(CNO)(H)2	N(CCCH)(CCO)(H)	116.2840	0.000	1	116.2840	0.000	1	115.2291	1.760	19	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[6]-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[6]HH)(NCH)(O)	C(C[6]C[6]N[6]H)(CNO)(H)2	N(CC[6a]HH)(CCO)(H)	C(CC[6]HH)(NCH)(O)	C(C[6]C[6]N[6]H)(CNO)(H)2	N(CC[6a]HH)(CCO)(H)	114.5590	0.000	1	114.5590	0.000	1	115.2291	1.760	19	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[6]-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[6]HH)(NCH)(O)	C(C[6]C[6]O[6]H)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CC[6]HH)(NCH)(O)	C(C[6]C[6]O[6]H)(CNO)(H)2	N(CCHH)(CCO)(H)	116.0952	1.536	4	116.0952	2.359	4	115.2291	1.760	19	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[6]-4:C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C(CC[6]HH)(NC[6]H)(O)	C(C[6]C[6]2H)(CNO)(H)2	N(C[6]C[6,6]C[6]H)(CCO)(H)	C(CC[6]HH)(NC[6]H)(O)	C(C[6]C[6]2H)(CNO)(H)2	N(C[6]C[6,6]C[6]H)(CCO)(H)	116.9530	0.000	1	116.9530	0.000	1	116.9530	0.000	1	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	N-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(NCHH)(CNO)(H)2	N(CCCH)(CCO)(H)	C(CHHN)(NCH)(O)	C(NCHH)(CNO)(H)2	N(CCCH)(CCO)(H)	115.8740	0.000	1	115.8740	0.000	1	115.1091	0.755	72	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	N-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(NH3)(CNO)(H)2	N(CCCH)(CCO)(H)	C(CHHN)(NCH)(O)	C(NH3)(CNO)(H)2	N(CCCH)(CCO)(H)	114.7638	0.549	46	114.7638	0.301	46	115.1091	0.755	72	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	N-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(NH3)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(O)	C(NH3)(CNO)(H)2	N(CCHH)(CCO)(H)	115.8735	1.007	20	115.8735	1.014	20	115.1091	0.755	72	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	N-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(NH3)(CNO)(H)2	N(CC[6a]CC)(CCO)(H)	C(CHHN)(NCH)(O)	C(NH3)(CNO)(H)2	N(CC[6a]CC)(CCO)(H)	115.6027	0.453	3	115.6027	0.205	3	115.1091	0.755	72	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	N-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(NH3)(CNO)(H)2	N(CC[6a]CH)(CCO)(H)	C(CHHN)(NCH)(O)	C(NH3)(CNO)(H)2	N(CC[6a]CH)(CCO)(H)	114.8080	0.000	1	114.8080	0.000	1	115.1091	0.755	72	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	N-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(NMoCH)(CNO)(H)2	N(CC3)(CCO)(H)	C(CHHN)(NCH)(O)	C(NMoCH)(CNO)(H)2	N(CC3)(CCO)(H)	113.7620	0.000	1	113.7620	0.000	1	115.1091	0.755	72	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	P-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHP)(NCH)(O)	C(PC[6a]2O)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CHHP)(NCH)(O)	C(PC[6a]2O)(CNO)(H)2	N(CCHH)(CCO)(H)	114.6104	0.468	5	114.6104	0.219	5	114.6732	0.199	6	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	P-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHP)(NCH)(O)	C(PC[6a]2O)(CNO)(H)2	N(CC[6a]HH)(CCO)(H)	C(CHHP)(NCH)(O)	C(PC[6a]2O)(CNO)(H)2	N(CC[6a]HH)(CCO)(H)	114.9870	0.000	1	114.9870	0.000	1	114.6732	0.199	6	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	S-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHS)(NCH)(O)	C(SO3)(CNO)(H)2	N(CCCH)(CCO)(H)	C(CHHS)(NCH)(O)	C(SO3)(CNO)(H)2	N(CCCH)(CCO)(H)	115.9990	0.000	1	115.9990	0.000	1	115.9990	0.000	1	116.0398	2.249	389	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:2:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:O-2:	C(CCHH)(NCO)(O)	C(CCHH)(CNO)(H)2	N(CH3)(CCO)(OC)	C(CCHH)(NCO)(O)	C(CCHH)(CNO)(H)2	N(CH3)(CCO)(OC)	116.8660	0.000	1	116.8660	0.000	1	117.4882	0.518	5	117.0865	1.382	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:2:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:O-2:	C(CCHH)(NCO)(O)	C(CC[6a]2H)(CNO)(H)2	N(CH3)(CCO)(OC)	C(CCHH)(NCO)(O)	C(CC[6a]2H)(CNO)(H)2	N(CH3)(CCO)(OC)	116.8100	0.000	1	116.8100	0.000	1	117.4882	0.518	5	117.0865	1.382	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:2:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:O-2:	C(CCHH)(NCO)(O)	C(CC[6a]HP)(CNO)(H)2	N(CH3)(CCO)(OC)	C(CCHH)(NCO)(O)	C(CC[6a]HP)(CNO)(H)2	N(CH3)(CCO)(OC)	117.9217	0.574	3	117.9217	0.330	3	117.4882	0.518	5	117.0865	1.382	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:2:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	S-4:C-3:N-2:	C(CCHH)(NNS)(O)	C(CC[6a]CH)(CNO)(H)2	N(SC[6a]OO)(CCO)(NC)	C(CCHH)(NNS)(O)	C(CC[6a]CH)(CNO)(H)2	N(SC[6a]OO)(CCO)(NC)	115.0780	0.000	1	115.0780	0.000	1	115.0780	0.000	1	117.0865	1.382	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:C-3:	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CCCH)(CCO)(COO)	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CCCH)(CCO)(COO)	116.9680	0.366	2	116.9680	0.134	2	118.1671	1.486	16	117.7090	2.202	21	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:C-3:	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CCHH)(CCH)(CCO)	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CCHH)(CCH)(CCO)	117.1855	0.084	2	117.1855	0.007	2	118.1671	1.486	16	117.7090	2.202	21	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:C-3:	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CCHH)(CCO)(COO)	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CCHH)(CCO)(COO)	119.5557	1.431	3	119.5557	2.046	3	118.1671	1.486	16	117.7090	2.202	21	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:C-3:	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CCHH)(CCO)2	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CCHH)(CCO)2	118.2007	0.085	3	118.2007	0.007	3	118.1671	1.486	16	117.7090	2.202	21	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:C-3:	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CC[6a]HH)(CCO)(COO)	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CC[6a]HH)(CCO)(COO)	120.3990	0.000	1	120.3990	0.000	1	118.1671	1.486	16	117.7090	2.202	21	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:C-3:	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CH3)(CCH)(CCO)	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CH3)(CCH)(CCO)	118.1770	0.000	3	118.1770	0.000	3	118.1671	1.486	16	117.7090	2.202	21	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:C-3:	C(CCHH)(NCC)(O)	C(CC[6]HH)(CNO)(H)2	N(CC[6a]HH)(CN[6]O)(CCO)	C(CCHH)(NCC)(O)	C(CC[6]HH)(CNO)(H)2	N(CC[6a]HH)(CN[6]O)(CCO)	117.0835	0.356	2	117.0835	0.127	2	118.1671	1.486	16	117.7090	2.202	21	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:N-3:	C(CCHH)(NCN)(O)	C(CH3)(CNO)(H)2	N(CH3)(CCO)(NCH)	C(CCHH)(NCN)(O)	C(CH3)(CNO)(H)2	N(CH3)(CCO)(NCH)	118.1400	0.000	1	118.1400	0.000	1	118.1400	0.000	1	117.7090	2.202	21	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	S-4:C-3:C-3:	C(CCHH)(NCS)(O)	C(CCHH)(CNO)(H)2	N(SC[6a]OO)(CCC)(CCO)	C(CCHH)(NCS)(O)	C(CCHH)(CNO)(H)2	N(SC[6a]OO)(CCC)(CCO)	115.8355	0.375	2	115.8355	0.141	2	115.8355	0.141	2	117.7090	2.202	21	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	S-4:C-3:N-3:	C(CCHH)(NNS)(O)	C(CCHH)(CNO)(H)2	N(SC[6a]OO)(CCO)(NHH)	C(CCHH)(NNS)(O)	C(CCHH)(CNO)(H)2	N(SC[6a]OO)(CCO)(NHH)	115.7030	1.730	2	115.7030	2.991	2	115.7030	2.991	2	117.7090	2.202	21	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:H-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(H)	C(CHHN)(CHN)(H)2	N(CCHH)2(CCH)	C(CCHH)(NCC)(H)	C(CHHN)(CHN)(H)2	N(CCHH)2(CCH)	128.1790	0.000	1	128.1790	0.000	1	128.1790	0.000	1	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:Cl-1:H-1:	C-4:C-4:C-3:	C(CClCH)(NCC)(O)	C(CC[6a]BrH)(CNO)(Cl)(H)	N(CCCH)2(CCO)	C(CClCH)(NCC)(O)	C(CC[6a]BrH)(CNO)(Cl)(H)	N(CCCH)2(CCO)	119.7760	0.000	1	119.7760	0.000	1	119.7760	0.000	1	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:F-1:F-1:	C-4:C-4:C-3:	C(CCFF)(NCC)(O)	C(CCHH)(CNO)(F)2	N(CCHH)2(CCO)	C(CCFF)(NCC)(O)	C(CCHH)(CNO)(F)2	N(CCHH)2(CCO)	118.8170	0.000	1	118.8170	0.000	1	118.8170	0.000	1	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:F-1:H-1:	C-4:C-4:C-3:	C(CCFH)(NCC)(O)	C(CF3)(CNO)(F)(H)	N(CC[6a]CH)(CH3)(CCO)	C(CCFH)(NCC)(O)	C(CF3)(CNO)(F)(H)	N(CC[6a]CH)(CH3)(CCO)	118.0190	0.000	2	118.0190	0.000	2	120.7000	21.563	3	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:F-1:H-1:	C-4:C-4:C-3:	C(CCFH)(NCC)(O)	C(CF3)(CNO)(F)(H)	N(CC[6a]HH)(CC[5]HH)(CCO)	C(CCFH)(NCC)(O)	C(CF3)(CNO)(F)(H)	N(CC[6a]HH)(CC[5]HH)(CCO)	126.0620	0.000	1	126.0620	0.000	1	120.7000	21.563	3	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	C(CB[5]CH)(CNO)(H)2	N(CH3)2(CCO)	C(CCHH)(NCC)(O)	C(CB[5]CH)(CNO)(H)2	N(CH3)2(CCO)	118.3955	1.292	2	118.3955	1.669	2	118.6393	3.108	63	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	C(CCCH)(CNO)(H)2	N(CH3)2(CCO)	C(CCHH)(NCC)(O)	C(CCCH)(CNO)(H)2	N(CH3)2(CCO)	123.0455	0.320	2	123.0455	0.103	2	118.6393	3.108	63	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CCCH)(CCHH)(CCO)	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CCCH)(CCHH)(CCO)	117.9637	0.404	3	117.9637	0.163	3	118.6393	3.108	63	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CCCH)(CH3)(CCO)	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CCCH)(CH3)(CCO)	118.4370	1.106	2	118.4370	1.223	2	118.6393	3.108	63	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CCCH)2(CCO)	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CCCH)2(CCO)	117.5570	0.000	1	117.5570	0.000	1	118.6393	3.108	63	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CCHH)(CC3)(CCO)	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CCHH)(CC3)(CCO)	117.6240	0.000	1	117.6240	0.000	1	118.6393	3.108	63	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CCHH)(CH3)(CCO)	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CCHH)(CH3)(CCO)	116.7230	0.000	1	116.7230	0.000	1	118.6393	3.108	63	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CCHH)2(CCO)	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CCHH)2(CCO)	117.8372	0.671	10	117.8372	0.450	10	118.6393	3.108	63	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CC[5]HH)(CCHH)(CCO)	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CC[5]HH)(CCHH)(CCO)	117.6390	0.000	1	117.6390	0.000	1	118.6393	3.108	63	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CC[6]CH)(CCHH)(CCO)	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CC[6]CH)(CCHH)(CCO)	117.5440	0.188	2	117.5440	0.035	2	118.6393	3.108	63	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CC[6]HH)(CCHH)(CCO)	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CC[6]HH)(CCHH)(CCO)	116.6680	0.000	1	116.6680	0.000	1	118.6393	3.108	63	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CC[6a]CH)(CCHH)(CCO)	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CC[6a]CH)(CCHH)(CCO)	117.0987	0.517	3	117.0987	0.268	3	118.6393	3.108	63	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CC[6a]HH)(CCCH)(CCO)	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CC[6a]HH)(CCCH)(CCO)	121.7630	0.000	1	121.7630	0.000	1	118.6393	3.108	63	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CC[6a]HH)(CH3)(CCO)	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CC[6a]HH)(CH3)(CCO)	119.3580	0.000	1	119.3580	0.000	1	118.6393	3.108	63	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CH3)2(CCO)	C(CCHH)(NCC)(O)	C(CCHH)(CNO)(H)2	N(CH3)2(CCO)	118.0381	0.508	7	118.0381	0.258	7	118.6393	3.108	63	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	C(CCHO)(CNO)(H)2	N(CCHH)2(CCO)	C(CCHH)(NCC)(O)	C(CCHO)(CNO)(H)2	N(CCHH)2(CCO)	119.9110	0.000	1	119.9110	0.000	1	118.6393	3.108	63	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	C(CCHP)(CNO)(H)2	N(CCHH)2(CCO)	C(CCHH)(NCC)(O)	C(CCHP)(CNO)(H)2	N(CCHH)2(CCO)	116.4080	0.000	1	116.4080	0.000	1	118.6393	3.108	63	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	C(CCHP)(CNO)(H)2	N(CH3)2(CCO)	C(CCHH)(NCC)(O)	C(CCHP)(CNO)(H)2	N(CH3)2(CCO)	117.9820	0.000	1	117.9820	0.000	1	118.6393	3.108	63	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	C(CC[6]HP)(CNO)(H)2	N(CH3)2(CCO)	C(CCHH)(NCC)(O)	C(CC[6]HP)(CNO)(H)2	N(CH3)2(CCO)	116.7790	0.000	1	116.7790	0.000	1	118.6393	3.108	63	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	C(CC[6a]CH)(CNO)(H)2	N(CH3)2(CCO)	C(CCHH)(NCC)(O)	C(CC[6a]CH)(CNO)(H)2	N(CH3)2(CCO)	117.3110	0.000	1	117.3110	0.000	1	118.6393	3.108	63	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	C(CC[6a]CO)(CNO)(H)2	N(CCHH)2(CCO)	C(CCHH)(NCC)(O)	C(CC[6a]CO)(CNO)(H)2	N(CCHH)2(CCO)	118.1840	0.000	1	118.1840	0.000	1	118.6393	3.108	63	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	C(CC[6a]HN)(CNO)(H)2	N(CCHH)(CHHO)(CCO)	C(CCHH)(NCC)(O)	C(CC[6a]HN)(CNO)(H)2	N(CCHH)(CHHO)(CCO)	120.0800	0.000	1	120.0800	0.000	1	118.6393	3.108	63	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	C(CC[6a]HN)(CNO)(H)2	N(CCHH)2(CCO)	C(CCHH)(NCC)(O)	C(CC[6a]HN)(CNO)(H)2	N(CCHH)2(CCO)	120.1040	0.000	1	120.1040	0.000	1	118.6393	3.108	63	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	C(CCoHH)(CNO)(H)2	N(CH3)2(CCO)	C(CCHH)(NCC)(O)	C(CCoHH)(CNO)(H)2	N(CH3)2(CCO)	119.5470	0.000	1	119.5470	0.000	1	118.6393	3.108	63	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	C(CH3)(CNO)(H)2	N(CC[6]CH)(CCCH)(CCO)	C(CCHH)(NCC)(O)	C(CH3)(CNO)(H)2	N(CC[6]CH)(CCCH)(CCO)	118.9210	0.000	1	118.9210	0.000	1	118.6393	3.108	63	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	C(CH3)(CNO)(H)2	N(CH3)2(CCO)	C(CCHH)(NCC)(O)	C(CH3)(CNO)(H)2	N(CH3)2(CCO)	120.7785	1.794	10	120.7785	3.217	10	118.6393	3.108	63	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	C(CH3)(CNO)(H)2	N(CSeHH)2(CCO)	C(CCHH)(NCC)(O)	C(CH3)(CNO)(H)2	N(CSeHH)2(CCO)	117.3780	0.000	1	117.3780	0.000	1	118.6393	3.108	63	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	C(CHHN)(CNO)(H)2	N(CCHH)2(CCO)	C(CCHH)(NCC)(O)	C(CHHN)(CNO)(H)2	N(CCHH)2(CCO)	118.6010	1.197	3	118.6010	1.432	3	118.6393	3.108	63	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(O)	C(CHHP)(CNO)(H)2	N(CH3)2(CCO)	C(CCHH)(NCC)(O)	C(CHHP)(CNO)(H)2	N(CH3)2(CCO)	116.0790	0.000	1	116.0790	0.000	1	118.6393	3.108	63	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:Si-4:C-3:	C(CCHH)(NSiC)(O)	C(CCHH)(CNO)(H)2	N(CCHH)(SiN3)(CCO)	C(CCHH)(NSiC)(O)	C(CCHH)(CNO)(H)2	N(CCHH)(SiN3)(CCO)	119.3740	0.130	4	119.3740	0.017	4	119.3740	0.017	4	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	S-4:C-4:C-3:	C(CCHH)(NCS)(O)	C(CC[6a]2H)(CNO)(H)2	N(SC[6a]OO)(CH3)(CCO)	C(CCHH)(NCS)(O)	C(CC[6a]2H)(CNO)(H)2	N(SC[6a]OO)(CH3)(CCO)	117.8550	0.000	1	117.8550	0.000	1	117.8550	0.000	1	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C[4]-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CC[4]HH)(NCC)(O)	C(C[4]C[4]2H)(CNO)(H)2	N(CC[6a]HH)(CC3)(CCO)	C(CC[4]HH)(NCC)(O)	C(C[4]C[4]2H)(CNO)(H)2	N(CC[6a]HH)(CC3)(CCO)	117.8500	0.000	2	117.8500	0.000	2	117.8500	0.000	2	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C[5,6]-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CC[5,6]HH)(NCC)(O)	C(C[5,6]C[5,6]C[5]C[6])(CNO)(H)2	N(CH3)2(CCO)	C(CC[5,6]HH)(NCC)(O)	C(C[5,6]C[5,6]C[5]C[6])(CNO)(H)2	N(CH3)2(CCO)	117.9460	0.000	1	117.9460	0.000	1	117.3070	0.817	2	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C[5,6]-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CC[5,6]HH)(NCC)(O)	C(C[5,6]C[5,6a]C[5,6]C[6])(CNO)(H)2	N(CH3)2(CCO)	C(CC[5,6]HH)(NCC)(O)	C(C[5,6]C[5,6a]C[5,6]C[6])(CNO)(H)2	N(CH3)2(CCO)	116.6680	0.000	1	116.6680	0.000	1	117.3070	0.817	2	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C[5]-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CC[5]HH)(NCC)(O)	C(C[5]C[5,5]C[5]H)(CNO)(H)2	N(CH3)2(CCO)	C(CC[5]HH)(NCC)(O)	C(C[5]C[5,5]C[5]H)(CNO)(H)2	N(CH3)2(CCO)	117.7540	0.243	2	117.7540	0.059	2	117.7540	0.059	2	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C[6,6]-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CC[6,6]HH)(NCC)(O)	C(C[6,6]C[6,6]C[6]2)(CNO)(H)2	N(CH3)2(CCO)	C(CC[6,6]HH)(NCC)(O)	C(C[6,6]C[6,6]C[6]2)(CNO)(H)2	N(CH3)2(CCO)	119.5810	0.000	1	119.5810	0.000	1	119.5810	0.000	1	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C[6]-4:C-3:F-1:F-1:	C-4:C-4:C-3:	C(CC[6]FF)(NCC)(O)	C(C[6]C[6,6a]N[6]H)(CNO)(F)2	N(CCHH)2(CCO)	C(CC[6]FF)(NCC)(O)	C(C[6]C[6,6a]N[6]H)(CNO)(F)2	N(CCHH)2(CCO)	120.1950	0.000	1	120.1950	0.000	1	120.1950	0.000	1	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C[6]-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CC[6]HH)(NCC)(O)	C(C[6]C[6,6a]C[6]C)(CNO)(H)2	N(CH3)2(CCO)	C(CC[6]HH)(NCC)(O)	C(C[6]C[6,6a]C[6]C)(CNO)(H)2	N(CH3)2(CCO)	116.7620	0.000	1	116.7620	0.000	1	119.0560	6.803	3	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C[6]-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CC[6]HH)(NCC)(O)	C(C[6]C[6,6a]N[6]H)(CNO)(H)2	N(CH3)2(CCO)	C(CC[6]HH)(NCC)(O)	C(C[6]C[6,6a]N[6]H)(CNO)(H)2	N(CH3)2(CCO)	121.8930	0.000	1	121.8930	0.000	1	119.0560	6.803	3	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	C[6]-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CC[6]HH)(NCC)(O)	C(C[6]C[6]2H)(CNO)(H)2	N(CC[6a]HH)(CCHH)(CCO)	C(CC[6]HH)(NCC)(O)	C(C[6]C[6]2H)(CNO)(H)2	N(CC[6a]HH)(CCHH)(CCO)	118.5130	0.000	1	118.5130	0.000	1	119.0560	6.803	3	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	N[3x6]-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CN[3x6]HH)(NCC)(O)	C(N[3x6]C[6,6]3)(CNO)(H)2	N(CCHH)2(CCO)	C(CN[3x6]HH)(NCC)(O)	C(N[3x6]C[6,6]3)(CNO)(H)2	N(CCHH)2(CCO)	116.1100	0.000	1	116.1100	0.000	1	116.1100	0.000	1	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:O-1:	S-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHS)(NCC)(O)	C(SC[6a]OO)(CNO)(H)2	N(CCHH)2(CCO)	C(CHHS)(NCC)(O)	C(SC[6a]OO)(CNO)(H)2	N(CCHH)2(CCO)	119.4650	0.000	1	119.4650	0.000	1	119.4650	0.000	1	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:S-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(S)	C(CC[6a]CH)(CNS)(H)2	N(CH3)2(CCS)	C(CCHH)(NCC)(S)	C(CC[6a]CH)(CNS)(H)2	N(CH3)2(CCS)	118.3560	1.154	2	118.3560	1.332	2	118.7900	1.231	3	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:S-1:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(S)	C(CC[6a]C[6]H)(CNS)(H)2	N(CH3)2(CCS)	C(CCHH)(NCC)(S)	C(CC[6a]C[6]H)(CNS)(H)2	N(CH3)2(CCS)	119.6580	0.000	1	119.6580	0.000	1	118.7900	1.231	3	118.8134	4.217	90	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	2:3:1:	C-4:N-3:O-1:	C-4:C-3:O-2:H-1:	O-2:C-3:H-1:	C(CCHO)(NHO)(O)	C(CCCH)(CNO)(ON)(H)	N(OC[3])(CCO)(H)	C(CCHO)(NHO)(O)	C(CCCH)(CNO)(ON)(H)	N(OC[3])(CCO)(H)	116.1970	0.000	1	116.1970	0.000	1	116.1970	0.000	1	116.1970	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:O-2:H-1:	C-3:H-1:H-1:	C(CCHO)(NHH)(O)	C(CCHH)(CNO)(OC)(H)	N(CCO)(H)2	C(CCHO)(NHH)(O)	C(CCHH)(CNO)(OC)(H)	N(CCO)(H)2	117.2540	0.000	1	117.2540	0.000	1	117.4099	0.779	10	117.4099	0.779	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:O-2:H-1:	C-3:H-1:H-1:	C(CCHO)(NHH)(O)	C(CCHH)(CNO)(OH)(H)	N(CCO)(H)2	C(CCHO)(NHH)(O)	C(CCHH)(CNO)(OH)(H)	N(CCO)(H)2	117.6260	0.068	2	117.6260	0.005	2	117.4099	0.779	10	117.4099	0.779	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:O-2:H-1:	C-3:H-1:H-1:	C(CCHO)(NHH)(O)	C(CCHO)(CNO)(OC)(H)	N(CCO)(H)2	C(CCHO)(NHH)(O)	C(CCHO)(CNO)(OC)(H)	N(CCO)(H)2	118.3490	0.294	2	118.3490	0.087	2	117.4099	0.779	10	117.4099	0.779	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:O-2:H-1:	C-3:H-1:H-1:	C(CCHO)(NHH)(O)	C(CCHO)(CNO)(OH)(H)	N(CCO)(H)2	C(CCHO)(NHH)(O)	C(CCHO)(CNO)(OH)(H)	N(CCO)(H)2	116.9790	1.013	5	116.9790	1.027	5	117.4099	0.779	10	117.4099	0.779	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	3:2:1:	C-4:N-3:O-1:	C-4:C-3:N-2:H-1:	C-3:N-2:H-1:	C(CCHN)(NHN)(O)	C(CCCH)(CNO)(NS)(H)	N(CCO)(NH)(H)	C(CCHN)(NHN)(O)	C(CCCH)(CNO)(NS)(H)	N(CCO)(NH)(H)	116.3680	0.000	1	116.3680	0.000	1	116.3680	0.000	1	116.0375	0.218	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	3:2:1:	C-4:N-3:O-1:	C-4:C-3:O-2:H-1:	C-3:N-2:H-1:	C(CCHO)(NHN)(O)	C(CCHO)(CNO)(OH)(H)	N(CCO)(NC)(H)	C(CCHO)(NHN)(O)	C(CCHO)(CNO)(OH)(H)	N(CCO)(NC)(H)	115.7070	0.000	1	115.7070	0.000	1	115.7070	0.000	1	116.0375	0.218	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:N-2:H-1:	C-3:C-3:H-1:	C(CCHN)(NCH)(O)	C(CHHS)(CNO)(NC)(H)	N(CCC)(CCO)(H)	C(CCHN)(NCH)(O)	C(CHHS)(CNO)(NC)(H)	N(CCC)(CCO)(H)	114.3320	0.000	1	114.3320	0.000	1	114.3320	0.000	1	115.9330	2.202	5	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:O-2:H-1:	C-3:N-3:H-1:	C(CCHO)(NHN)(O)	C(CCHO)(CNO)(OH)(H)	N(CCO)(NHH)(H)	C(CCHO)(NHN)(O)	C(CCHO)(CNO)(OH)(H)	N(CCO)(NHH)(H)	117.4890	0.492	2	117.4890	0.242	2	116.3332	1.868	4	115.9330	2.202	5	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:O-2:H-1:	C-3:N-3:H-1:	C(CCHO)(NHN)(O)	C(CH3)(CNO)(OH)(H)	N(CCO)(NCH)(H)	C(CCHO)(NHN)(O)	C(CH3)(CNO)(OH)(H)	N(CCO)(NCH)(H)	115.1775	0.139	2	115.1775	0.019	2	116.3332	1.868	4	115.9330	2.202	5	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	3:3:3:	C-4:N-3:O-1:	C-4:C-3:O-2:H-1:	C-3:C-3:N-3:	C(CCHO)(NCN)(O)	C(CH3)(CNO)(OC)(H)	N(CC[6a]O)(CCO)(NCC)	C(CCHO)(NCN)(O)	C(CH3)(CNO)(OC)(H)	N(CC[6a]O)(CCO)(NCC)	117.8090	0.582	4	117.8090	0.339	4	117.8090	0.339	4	117.8090	0.339	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-2:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCCH)(CNO)(NC)(H)	N(CC3)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCCH)(CNO)(NC)(H)	N(CC3)(CCO)(H)	115.6080	0.000	1	115.6080	0.000	1	115.9539	2.274	13	116.2907	1.542	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-2:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCHH)(CNO)(NC)(H)	N(CC3)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCHH)(CNO)(NC)(H)	N(CC3)(CCO)(H)	115.2510	0.000	1	115.2510	0.000	1	115.9539	2.274	13	116.2907	1.542	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-2:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCHH)(CNO)(NN)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCHH)(CNO)(NN)(H)	N(CCCH)(CCO)(H)	117.3690	0.000	1	117.3690	0.000	1	115.9539	2.274	13	116.2907	1.542	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-2:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NC)(H)	N(CC3)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NC)(H)	N(CC3)(CCO)(H)	115.0820	0.000	1	115.0820	0.000	1	115.9539	2.274	13	116.2907	1.542	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-2:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NC)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NC)(H)	N(CCCH)(CCO)(H)	117.6453	1.590	3	117.6453	2.528	3	115.9539	2.274	13	116.2907	1.542	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-2:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NC)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NC)(H)	N(CCCH)(CCO)(H)	114.8940	0.601	2	114.8940	0.361	2	115.9539	2.274	13	116.2907	1.542	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-2:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NC)(H)	N(CCHH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NC)(H)	N(CCHH)(CCO)(H)	113.4080	0.000	1	113.4080	0.000	1	115.9539	2.274	13	116.2907	1.542	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-2:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NN)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NN)(H)	N(CCCH)(CCO)(H)	115.2250	0.000	1	115.2250	0.000	1	115.9539	2.274	13	116.2907	1.542	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-2:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CHHO)(CNO)(NC)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CHHO)(CNO)(NC)(H)	N(CCCH)(CCO)(H)	116.3670	0.560	2	116.3670	0.314	2	115.9539	2.274	13	116.2907	1.542	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(NCH)(O)	C(CCCH)(CNO)(OC)(H)	N(CCCH)(CCO)(H)	C(CCHO)(NCH)(O)	C(CCCH)(CNO)(OC)(H)	N(CCCH)(CCO)(H)	117.3375	0.925	4	117.3375	0.856	4	116.3362	1.314	43	116.2907	1.542	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(NCH)(O)	C(CCHH)(CNO)(OC)(H)	N(CCHH)(CCO)(H)	C(CCHO)(NCH)(O)	C(CCHH)(CNO)(OC)(H)	N(CCHH)(CCO)(H)	118.7110	0.000	1	118.7110	0.000	1	116.3362	1.314	43	116.2907	1.542	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(NCH)(O)	C(CCHH)(CNO)(OH)(H)	N(CCHH)(CCO)(H)	C(CCHO)(NCH)(O)	C(CCHH)(CNO)(OH)(H)	N(CCHH)(CCO)(H)	116.6930	0.000	1	116.6930	0.000	1	116.3362	1.314	43	116.2907	1.542	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(NCH)(O)	C(CCHH)(CNO)(OH)(H)	N(CH3)(CCO)(H)	C(CCHO)(NCH)(O)	C(CCHH)(CNO)(OH)(H)	N(CH3)(CCO)(H)	115.6070	0.000	1	115.6070	0.000	1	116.3362	1.314	43	116.2907	1.542	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(NCH)(O)	C(CCHO)(CNO)(OC)(H)	N(CCCH)(CCO)(H)	C(CCHO)(NCH)(O)	C(CCHO)(CNO)(OC)(H)	N(CCCH)(CCO)(H)	115.6923	0.952	4	115.6923	0.907	4	116.3362	1.314	43	116.2907	1.542	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(NCH)(O)	C(CCHO)(CNO)(OC)(H)	N(CH3)(CCO)(H)	C(CCHO)(NCH)(O)	C(CCHO)(CNO)(OC)(H)	N(CH3)(CCO)(H)	117.7137	0.324	3	117.7137	0.105	3	116.3362	1.314	43	116.2907	1.542	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(NCH)(O)	C(CCHO)(CNO)(OH)(H)	N(CCHH)(CCO)(H)	C(CCHO)(NCH)(O)	C(CCHO)(CNO)(OH)(H)	N(CCHH)(CCO)(H)	116.2945	0.936	8	116.2945	0.875	8	116.3362	1.314	43	116.2907	1.542	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(NCH)(O)	C(CCHO)(CNO)(OH)(H)	N(CC[6a]HH)(CCO)(H)	C(CCHO)(NCH)(O)	C(CCHO)(CNO)(OH)(H)	N(CC[6a]HH)(CCO)(H)	115.3410	0.000	1	115.3410	0.000	1	116.3362	1.314	43	116.2907	1.542	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(NCH)(O)	C(CCHO)(CNO)(OH)(H)	N(CH3)(CCO)(H)	C(CCHO)(NCH)(O)	C(CCHO)(CNO)(OH)(H)	N(CH3)(CCO)(H)	116.1447	0.683	7	116.1447	0.467	7	116.3362	1.314	43	116.2907	1.542	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(NCH)(O)	C(CC[6a]HH)(CNO)(OC)(H)	N(CC3)(CCO)(H)	C(CCHO)(NCH)(O)	C(CC[6a]HH)(CNO)(OC)(H)	N(CC3)(CCO)(H)	117.6500	0.998	2	117.6500	0.997	2	116.3362	1.314	43	116.2907	1.542	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(NCH)(O)	C(CC[6a]HH)(CNO)(OC)(H)	N(CCCH)(CCO)(H)	C(CCHO)(NCH)(O)	C(CC[6a]HH)(CNO)(OC)(H)	N(CCCH)(CCO)(H)	116.4840	0.000	1	116.4840	0.000	1	116.3362	1.314	43	116.2907	1.542	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(NCH)(O)	C(CC[6a]HH)(CNO)(OH)(H)	N(CC3)(CCO)(H)	C(CCHO)(NCH)(O)	C(CC[6a]HH)(CNO)(OH)(H)	N(CC3)(CCO)(H)	116.5440	0.219	2	116.5440	0.048	2	116.3362	1.314	43	116.2907	1.542	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(NCH)(O)	C(CC[6a]HH)(CNO)(OH)(H)	N(CCCH)(CCO)(H)	C(CCHO)(NCH)(O)	C(CC[6a]HH)(CNO)(OH)(H)	N(CCCH)(CCO)(H)	115.2520	0.000	1	115.2520	0.000	1	116.3362	1.314	43	116.2907	1.542	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(NCH)(O)	C(CH3)(CNO)(OC)(H)	N(CCCH)(CCO)(H)	C(CCHO)(NCH)(O)	C(CH3)(CNO)(OC)(H)	N(CCCH)(CCO)(H)	114.4840	1.409	2	114.4840	1.984	2	116.3362	1.314	43	116.2907	1.542	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(NCH)(O)	C(CH3)(CNO)(OH)(H)	N(CCCH)(CCO)(H)	C(CCHO)(NCH)(O)	C(CH3)(CNO)(OH)(H)	N(CCCH)(CCO)(H)	116.6080	0.000	1	116.6080	0.000	1	116.3362	1.314	43	116.2907	1.542	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(NCH)(O)	C(CH3)(CNO)(OH)(H)	N(CC[6]CH)(CCO)(H)	C(CCHO)(NCH)(O)	C(CH3)(CNO)(OH)(H)	N(CC[6]CH)(CCO)(H)	115.7267	1.221	3	115.7267	1.491	3	116.3362	1.314	43	116.2907	1.542	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:O-2:H-1:	C-4:C-3:H-1:	C(CCHO)(NCH)(O)	C(CH3)(CNO)(OSi)(H)	N(CC[6]CH)(CCO)(H)	C(CCHO)(NCH)(O)	C(CH3)(CNO)(OSi)(H)	N(CC[6]CH)(CCO)(H)	114.5940	0.000	1	114.5940	0.000	1	116.3362	1.314	43	116.2907	1.542	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:S-2:H-1:	C-4:C-3:H-1:	C(CCHS)(NCH)(O)	C(CCHH)(CNO)(SC)(H)	N(CCCH)(CCO)(H)	C(CCHS)(NCH)(O)	C(CCHH)(CNO)(SC)(H)	N(CCCH)(CCO)(H)	117.6190	0.403	3	117.6190	0.163	3	117.6190	0.163	3	116.2907	1.542	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:3:1:	C-4:N-3:O-1:	C[5,6]-4:C-3:O-2:H-1:	C[6]-4:C-3:H-1:	C(CC[5,6]HO)(NC[6]H)(O)	C(C[5,6]C[5,6]O[5]O[6])(CNO)(OC)(H)	N(C[6]C[6]2H)(CCO)(H)	C(CC[5,6]HO)(NC[6]H)(O)	C(C[5,6]C[5,6]O[5]O[6])(CNO)(OC)(H)	N(C[6]C[6]2H)(CCO)(H)	115.7930	0.000	1	115.7930	0.000	1	115.7930	0.000	1	116.2907	1.542	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:3:1:	C-4:N-3:O-1:	C[5]-4:C-3:O-2:H-1:	C-4:C-3:H-1:	C(CC[5]HO)(NCH)(O)	C(C[5]C[5]O[5]C)(CNO)(OH)(H)	N(CCHH)(CCO)(H)	C(CC[5]HO)(NCH)(O)	C(C[5]C[5]O[5]C)(CNO)(OH)(H)	N(CCHH)(CCO)(H)	117.1010	0.000	1	117.1010	0.000	1	117.1010	0.000	1	116.2907	1.542	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:3:1:	C-4:N-3:O-1:	C[6]-4:C-3:O-2:H-1:	C-4:C-3:H-1:	C(CC[6]HO)(NCH)(O)	C(C[6]C[6]2C)(CNO)(OC)(H)	N(CC3)(CCO)(H)	C(CC[6]HO)(NCH)(O)	C(C[6]C[6]2C)(CNO)(OC)(H)	N(CC3)(CCO)(H)	114.4190	0.000	1	114.4190	0.000	1	114.4190	0.000	1	116.2907	1.542	62	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:3:2:	C-4:N-3:O-1:	C[6]-4:C-3:O-2:H-1:	C-4:C-3:O-2:	C(CC[6]HO)(NCO)(O)	C(C[6]C[6]O[6]H)(CNO)(OC)(H)	N(CH3)(CCO)(OC)	C(CC[6]HO)(NCO)(O)	C(C[6]C[6]O[6]H)(CNO)(OC)(H)	N(CH3)(CCO)(OC)	115.8670	0.000	1	115.8670	0.000	1	115.8670	0.000	1	115.8670	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:3:3:	C-4:N-3:O-1:	C-4:C-3:O-2:H-1:	C-4:C-3:C-3:	C(CCHO)(NCC)(O)	C(CC[6a]2H)(CNO)(OH)(H)	N(CH3)(CCH)(CCO)	C(CCHO)(NCC)(O)	C(CC[6a]2H)(CNO)(OH)(H)	N(CH3)(CCH)(CCO)	117.2940	0.000	1	117.2940	0.000	1	117.2940	0.000	1	117.2940	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:N-2:H-1:	C-4:C-4:C-3:	C(CCHN)(NCC)(O)	C(CC3)(CNO)(NC)(H)	N(CCCH)(CH3)(CCO)	C(CCHN)(NCC)(O)	C(CC3)(CNO)(NC)(H)	N(CCCH)(CH3)(CCO)	119.8900	0.000	1	119.8900	0.000	1	119.5265	1.078	4	118.5290	2.190	14	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:N-2:H-1:	C-4:C-4:C-3:	C(CCHN)(NCC)(O)	C(CCHH)(CNO)(NC)(H)	N(CCHH)2(CCO)	C(CCHN)(NCC)(O)	C(CCHH)(CNO)(NC)(H)	N(CCHH)2(CCO)	118.1690	0.000	1	118.1690	0.000	1	119.5265	1.078	4	118.5290	2.190	14	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:N-2:H-1:	C-4:C-4:C-3:	C(CCHN)(NCC)(O)	C(CC[5]HO)(CNO)(NN)(H)	N(CCHH)2(CCO)	C(CCHN)(NCC)(O)	C(CC[5]HO)(CNO)(NN)(H)	N(CCHH)2(CCO)	120.0235	0.875	2	120.0235	0.765	2	119.5265	1.078	4	118.5290	2.190	14	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:	C(CCHO)(NCC)(O)	C(CCCH)(CNO)(OC)(H)	N(CCCH)(CH3)(CCO)	C(CCHO)(NCC)(O)	C(CCCH)(CNO)(OC)(H)	N(CCCH)(CH3)(CCO)	117.0150	0.000	1	117.0150	0.000	1	117.3227	0.262	7	118.5290	2.190	14	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:	C(CCHO)(NCC)(O)	C(CCCH)(CNO)(OH)(H)	N(CCCH)(CH3)(CCO)	C(CCHO)(NCC)(O)	C(CCCH)(CNO)(OH)(H)	N(CCCH)(CH3)(CCO)	118.1570	0.000	1	118.1570	0.000	1	117.3227	0.262	7	118.5290	2.190	14	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:	C(CCHO)(NCC)(O)	C(CCHH)(CNO)(OC)(H)	N(CH3)2(CCO)	C(CCHO)(NCC)(O)	C(CCHH)(CNO)(OC)(H)	N(CH3)2(CCO)	117.4910	0.000	1	117.4910	0.000	1	117.3227	0.262	7	118.5290	2.190	14	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:	C(CCHO)(NCC)(O)	C(CCHO)(CNO)(OC)(H)	N(CH3)2(CCO)	C(CCHO)(NCC)(O)	C(CCHO)(CNO)(OC)(H)	N(CH3)2(CCO)	117.1490	0.460	4	117.1490	0.212	4	117.3227	0.262	7	118.5290	2.190	14	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:4:3:	C-4:N-3:O-1:	C[5,6]-4:C-3:O-2:H-1:	C-4:C-4:C-3:	C(CC[5,6]HO)(NCC)(O)	C(C[5,6]C[5,6]C[5]C[6])(CNO)(OH)(H)	N(CH3)2(CCO)	C(CC[5,6]HO)(NCC)(O)	C(C[5,6]C[5,6]C[5]C[6])(CNO)(OH)(H)	N(CH3)2(CCO)	121.3630	0.000	1	121.3630	0.000	1	121.3630	0.000	1	118.5290	2.190	14	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:4:3:	C-4:N-3:O-1:	C[5]-4:C-3:O-2:H-1:	C-4:C-4:C-3:	C(CC[5]HO)(NCC)(O)	C(C[5]C[5,5]O[5]H)(CNO)(OH)(H)	N(CCHH)2(CCO)	C(CC[5]HO)(NCC)(O)	C(C[5]C[5,5]O[5]H)(CNO)(OH)(H)	N(CCHH)2(CCO)	119.0680	0.000	1	119.0680	0.000	1	119.0680	0.000	1	118.5290	2.190	14	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:1:	4:4:3:	C-4:N-3:S-1:	C-4:C-3:O-2:H-1:	C-4:C-4:C-3:	C(CCHO)(NCC)(S)	C(CC[6a]CH)(CNS)(OH)(H)	N(CC[6a]HH)2(CCS)	C(CCHO)(NCC)(S)	C(CC[6a]CH)(CNS)(OH)(H)	N(CC[6a]HH)2(CCS)	119.6100	0.000	1	119.6100	0.000	1	119.6100	0.000	1	118.5290	2.190	14	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:2:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:C-2:O-2:	C-3:H-1:H-1:	C(CCCO)(NHH)(O)	C(CC[6a]BrH)(CNO)(CN)(OH)	N(CCO)(H)2	C(CCCO)(NHH)(O)	C(CC[6a]BrH)(CNO)(CN)(OH)	N(CCO)(H)2	115.2170	0.000	1	115.2170	0.000	1	115.2170	0.000	1	116.0135	1.269	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:2:2:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:O-2:O-2:	C-3:H-1:H-1:	C(CCOO)(NHH)(O)	C(CC[6a]ClH)(CNO)(OH)2	N(CCO)(H)2	C(CCOO)(NHH)(O)	C(CC[6a]ClH)(CNO)(OH)2	N(CCO)(H)2	116.8100	0.000	1	116.8100	0.000	1	116.8100	0.000	1	116.0135	1.269	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:C-3:H-1:	C-3:H-1:H-1:	C(CCCH)(NHH)(O)	C(CCHH)(CNO)2(H)	N(CCO)(H)2	C(CCCH)(NHH)(O)	C(CCHH)(CNO)2(H)	N(CCO)(H)2	116.5190	0.105	2	116.5190	0.011	2	116.9102	0.211	4	116.6299	1.567	37	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:C-3:H-1:	C-3:H-1:H-1:	C(CCCH)(NHH)(O)	C(CC[6]CH)(CNO)(COO)(H)	N(CCO)(H)2	C(CCCH)(NHH)(O)	C(CC[6]CH)(CNO)(COO)(H)	N(CCO)(H)2	117.3720	0.000	1	117.3720	0.000	1	116.9102	0.211	4	116.6299	1.567	37	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:C-3:H-1:	C-3:H-1:H-1:	C(CCCH)(NHH)(O)	C(CH3)(CNO)2(H)	N(CCO)(H)2	C(CCCH)(NHH)(O)	C(CH3)(CNO)2(H)	N(CCO)(H)2	117.2310	0.000	1	117.2310	0.000	1	116.9102	0.211	4	116.6299	1.567	37	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-3:H-1:H-1:	C(CCHN)(NHH)(O)	C(CCCH)(CNO)(NCH)(H)	N(CCO)(H)2	C(CCHN)(NHH)(O)	C(CCCH)(CNO)(NCH)(H)	N(CCO)(H)2	116.9415	1.510	4	116.9415	2.281	4	116.4294	1.627	29	116.6299	1.567	37	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-3:H-1:H-1:	C(CCHN)(NHH)(O)	C(CCHH)(CNO)(NCH)(H)	N(CCO)(H)2	C(CCHN)(NHH)(O)	C(CCHH)(CNO)(NCH)(H)	N(CCO)(H)2	116.4708	1.633	6	116.4708	2.666	6	116.4294	1.627	29	116.6299	1.567	37	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-3:H-1:H-1:	C(CCHN)(NHH)(O)	C(CCHO)(CNO)(NCH)(H)	N(CCO)(H)2	C(CCHN)(NHH)(O)	C(CCHO)(CNO)(NCH)(H)	N(CCO)(H)2	116.4910	0.000	1	116.4910	0.000	1	116.4294	1.627	29	116.6299	1.567	37	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-3:H-1:H-1:	C(CCHN)(NHH)(O)	C(CC[6a]HH)(CNO)(NCC)(H)	N(CCO)(H)2	C(CCHN)(NHH)(O)	C(CC[6a]HH)(CNO)(NCC)(H)	N(CCO)(H)2	117.1910	0.000	1	117.1910	0.000	1	116.4294	1.627	29	116.6299	1.567	37	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-3:H-1:H-1:	C(CCHN)(NHH)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(CCO)(H)2	C(CCHN)(NHH)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(CCO)(H)2	115.6820	0.642	3	115.6820	0.412	3	116.4294	1.627	29	116.6299	1.567	37	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-3:H-1:H-1:	C(CCHN)(NHH)(O)	C(CH3)(CNO)(NCH)(H)	N(CCO)(H)2	C(CCHN)(NHH)(O)	C(CH3)(CNO)(NCH)(H)	N(CCO)(H)2	116.1896	1.526	9	116.1896	2.327	9	116.4294	1.627	29	116.6299	1.567	37	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-3:H-1:H-1:	C(CCHN)(NHH)(O)	C(CH3)(CNO)(NCN)(H)	N(CCO)(H)2	C(CCHN)(NHH)(O)	C(CH3)(CNO)(NCN)(H)	N(CCO)(H)2	116.8263	0.902	3	116.8263	0.814	3	116.4294	1.627	29	116.6299	1.567	37	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-3:H-1:H-1:	C(CCHN)(NHH)(O)	C(CHHS)(CNO)(NCH)(H)	N(CCO)(H)2	C(CCHN)(NHH)(O)	C(CHHS)(CNO)(NCH)(H)	N(CCO)(H)2	116.4750	0.000	2	116.4750	0.000	2	116.4294	1.627	29	116.6299	1.567	37	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	3:1:1:	C-4:N-3:O-1:	C-4:N-3:C-3:H-1:	C-3:H-1:H-1:	C(CCHN)(NHH)(O)	C(CC[5]HH)(NCuC)(CNO)(H)	N(CCO)(H)2	C(CCHN)(NHH)(O)	C(CC[5]HH)(NCuC)(CNO)(H)	N(CCO)(H)2	118.0840	0.000	1	118.0840	0.000	1	118.3157	0.040	3	116.6299	1.567	37	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	3:1:1:	C-4:N-3:O-1:	C-4:N-3:C-3:H-1:	C-3:H-1:H-1:	C(CCHN)(NHH)(O)	C(CC[5]HH)(NNiC)(CNO)(H)	N(CCO)(H)2	C(CCHN)(NHH)(O)	C(CC[5]HH)(NNiC)(CNO)(H)	N(CCO)(H)2	118.4210	0.000	1	118.4210	0.000	1	118.3157	0.040	3	116.6299	1.567	37	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	3:1:1:	C-4:N-3:O-1:	C-4:N-3:C-3:H-1:	C-3:H-1:H-1:	C(CCHN)(NHH)(O)	C(CHHS)(NTcC)(CNO)(H)	N(CCO)(H)2	C(CCHN)(NHH)(O)	C(CHHS)(NTcC)(CNO)(H)	N(CCO)(H)2	118.4420	0.000	1	118.4420	0.000	1	118.3157	0.040	3	116.6299	1.567	37	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	3:1:1:	C-4:N-3:O-1:	C[6]-4:C[6a]-3:C-3:H-1:	C-3:H-1:H-1:	C(CC[6a]C[6]H)(NHH)(O)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CNO)(H)	N(CCO)(H)2	C(CC[6a]C[6]H)(NHH)(O)	C(C[6]C[6]N[6]H)(C[6a]C[6a]2)(CNO)(H)	N(CCO)(H)2	116.2630	0.000	1	116.2630	0.000	1	116.2630	0.000	1	116.6299	1.567	37	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	3:2:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-3:C-2:H-1:	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NCH)(H)	N(CCO)(CC)(H)	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NCH)(H)	N(CCO)(CC)(H)	115.1770	0.000	1	115.1770	0.000	1	115.1770	0.000	1	114.7530	0.612	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	3:2:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-3:N-2:H-1:	C(CCHN)(NHN)(O)	C(CHHO)(CNO)(NCH)(H)	N(CCO)(NC)(H)	C(CCHN)(NHN)(O)	C(CHHO)(CNO)(NCH)(H)	N(CCO)(NC)(H)	114.6591	0.876	7	114.6591	0.767	7	114.6591	0.767	7	114.7530	0.612	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	3:2:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-3:O-2:H-1:	C(CCHN)(NHO)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(CCO)(OC)(H)	C(CCHN)(NHO)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(CCO)(OC)(H)	114.9860	0.000	1	114.9860	0.000	1	114.9860	0.000	1	114.7530	0.612	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-3:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NCC)(H)	N(CCO)(CNN)(H)	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NCC)(H)	N(CCO)(CNN)(H)	113.4860	0.000	1	113.4860	0.000	1	115.8985	3.396	11	115.6475	2.179	20	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-3:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(CCC)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(CCC)(CCO)(H)	115.9140	1.035	2	115.9140	1.072	2	115.8985	3.396	11	115.6475	2.179	20	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-3:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(CCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(CCH)(CCO)(H)	114.9110	0.248	3	114.9110	0.061	3	115.8985	3.396	11	115.6475	2.179	20	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-3:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NCS)(H)	N(CC[6a]C)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NCS)(H)	N(CC[6a]C)(CCO)(H)	118.9900	0.000	1	118.9900	0.000	1	115.8985	3.396	11	115.6475	2.179	20	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-3:C-3:H-1:	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NCH)(H)	N(CCC)(CCO)(H)	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NCH)(H)	N(CCC)(CCO)(H)	117.7905	0.846	2	117.7905	0.716	2	115.8985	3.396	11	115.6475	2.179	20	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-3:C-3:H-1:	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NCN)(H)	N(CCO)(COO)(H)	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NCN)(H)	N(CCO)(COO)(H)	115.1325	2.327	2	115.1325	5.415	2	115.8985	3.396	11	115.6475	2.179	20	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-3:N-3:H-1:	C(CCHN)(NHN)(O)	C(CCCH)(CNO)(NHS)(H)	N(CCO)(NHH)(H)	C(CCHN)(NHN)(O)	C(CCCH)(CNO)(NHS)(H)	N(CCO)(NHH)(H)	116.0650	0.000	1	116.0650	0.000	1	115.3520	0.958	7	115.6475	2.179	20	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-3:N-3:H-1:	C(CCHN)(NHN)(O)	C(CCHH)(CNO)(NCH)(H)	N(CCO)(NCH)(H)	C(CCHN)(NHN)(O)	C(CCHH)(CNO)(NCH)(H)	N(CCO)(NCH)(H)	114.1340	0.000	1	114.1340	0.000	1	115.3520	0.958	7	115.6475	2.179	20	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-3:N-3:H-1:	C(CCHN)(NHN)(O)	C(CCHH)(CNO)(NHS)(H)	N(CCO)(NHH)(H)	C(CCHN)(NHN)(O)	C(CCHH)(CNO)(NHS)(H)	N(CCO)(NHH)(H)	115.8440	0.000	1	115.8440	0.000	1	115.3520	0.958	7	115.6475	2.179	20	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-3:N-3:H-1:	C(CCHN)(NHN)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(CCO)(NCH)(H)	C(CCHN)(NHN)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(CCO)(NCH)(H)	116.2455	0.046	2	116.2455	0.002	2	115.3520	0.958	7	115.6475	2.179	20	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-3:N-3:H-1:	C(CCHN)(NHN)(O)	C(CH3)(CNO)(NHS)(H)	N(CCO)(NHH)(H)	C(CCHN)(NHN)(O)	C(CH3)(CNO)(NHS)(H)	N(CCO)(NHH)(H)	114.8780	0.000	1	114.8780	0.000	1	115.3520	0.958	7	115.6475	2.179	20	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-3:N-3:H-1:	C(CCHN)(NHN)(O)	C(CHHO)(CNO)(NCH)(H)	N(CCO)(NHH)(H)	C(CCHN)(NHN)(O)	C(CHHO)(CNO)(NCH)(H)	N(CCO)(NHH)(H)	114.0520	0.000	1	114.0520	0.000	1	115.3520	0.958	7	115.6475	2.179	20	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	N-3:C-3:H-1:	C(CCHN)(NHN)(O)	C(CCCH)(CNO)(NCH)(H)	N(NC[6a]H)(CCO)(H)	C(CCHN)(NHN)(O)	C(CCCH)(CNO)(NCH)(H)	N(NC[6a]H)(CCO)(H)	115.0250	0.000	1	115.0250	0.000	1	115.0250	0.000	1	115.6475	2.179	20	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	3:3:1:	C-4:N-3:O-1:	C-4:N[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CN[5]CH)(NC[6a]H)(O)	C(CC[5a]C[6a]H)(N[5]C[5]2)(CNO)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CN[5]CH)(NC[6a]H)(O)	C(CC[5a]C[6a]H)(N[5]C[5]2)(CNO)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	115.5790	0.000	1	115.5790	0.000	1	115.5790	0.000	1	115.6475	2.179	20	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:H-1:	C-4:C-3:N-3:H-1:	C-4:C-3:O-1:	C(CCHN)(NCO)(H)	C(CH3)(CHN)(NCH)(H)	N(CC[6a]HH)(CCH)(O)	C(CCHN)(NCO)(H)	C(CH3)(CHN)(NCH)(H)	N(CC[6a]HH)(CCH)(O)	122.3360	0.000	1	122.3360	0.000	1	122.3360	0.000	1	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	C(CCCH)(CCH)(CNO)(H)	N(CC[6a]HH)(CCO)(H)	C(CCCH)(NCH)(O)	C(CCCH)(CCH)(CNO)(H)	N(CC[6a]HH)(CCO)(H)	114.2600	0.000	1	114.2600	0.000	1	116.2030	3.664	5	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	C(CCCO)(CCH)(CNO)(H)	N(CCCH)(CCO)(H)	C(CCCH)(NCH)(O)	C(CCCO)(CCH)(CNO)(H)	N(CCCH)(CCO)(H)	116.9250	0.000	1	116.9250	0.000	1	116.2030	3.664	5	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	C(CC[6a]HH)(CCO)(CNO)(H)	N(CC3)(CCO)(H)	C(CCCH)(NCH)(O)	C(CC[6a]HH)(CCO)(CNO)(H)	N(CC3)(CCO)(H)	118.9430	0.000	1	118.9430	0.000	1	116.2030	3.664	5	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	C(CC[6a]HH)(CNO)(COO)(H)	N(CCHH)(CCO)(H)	C(CCCH)(NCH)(O)	C(CC[6a]HH)(CNO)(COO)(H)	N(CCHH)(CCO)(H)	116.3650	0.000	1	116.3650	0.000	1	116.2030	3.664	5	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	C(CH3)(CCO)(CNO)(H)	N(CCCH)(CCO)(H)	C(CCCH)(NCH)(O)	C(CH3)(CCO)(CNO)(H)	N(CCCH)(CCO)(H)	114.5220	0.000	1	114.5220	0.000	1	116.2030	3.664	5	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC3)(CNO)(NCC)(H)	N(CCHH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC3)(CNO)(NCC)(H)	N(CCHH)(CCO)(H)	115.1030	0.000	1	115.1030	0.000	1	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC3)(CNO)(NCH)(H)	N(CH3)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC3)(CNO)(NCH)(H)	N(CH3)(CCO)(H)	116.3830	0.000	1	116.3830	0.000	1	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCCH)(CNO)(NCC)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCCH)(CNO)(NCC)(H)	N(CCCH)(CCO)(H)	115.8957	1.841	3	115.8957	3.389	3	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCCH)(CNO)(NCH)(H)	N(CC3)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCCH)(CNO)(NCH)(H)	N(CC3)(CCO)(H)	116.8815	1.077	8	116.8815	1.160	8	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCCH)(CNO)(NCH)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCCH)(CNO)(NCH)(H)	N(CCCH)(CCO)(H)	116.7835	1.093	49	116.7835	1.195	49	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCCH)(CNO)(NCH)(H)	N(CCHH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCCH)(CNO)(NCH)(H)	N(CCHH)(CCO)(H)	116.4388	0.927	11	116.4388	0.860	11	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCCH)(CNO)(NCH)(H)	N(CC[5]CH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCCH)(CNO)(NCH)(H)	N(CC[5]CH)(CCO)(H)	111.9810	0.000	1	111.9810	0.000	1	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCCH)(CNO)(NCH)(H)	N(CC[5a]CH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCCH)(CNO)(NCH)(H)	N(CC[5a]CH)(CCO)(H)	115.5640	0.513	2	115.5640	0.264	2	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCCH)(CNO)(NCH)(H)	N(CC[5a]HH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCCH)(CNO)(NCH)(H)	N(CC[5a]HH)(CCO)(H)	116.3210	0.000	1	116.3210	0.000	1	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCCH)(CNO)(NCH)(H)	N(CH3)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCCH)(CNO)(NCH)(H)	N(CH3)(CCO)(H)	116.2095	1.258	2	116.2095	1.582	2	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCCH)(CNO)(NHH)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCCH)(CNO)(NHH)(H)	N(CCCH)(CCO)(H)	116.0340	0.000	1	116.0340	0.000	1	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCCH)(CNO)(NHH)(H)	N(CCHH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCCH)(CNO)(NHH)(H)	N(CCHH)(CCO)(H)	116.7507	0.535	4	116.7507	0.287	4	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCCH)(CNO)(NHH)(H)	N(CC[6a]HP)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCCH)(CNO)(NHH)(H)	N(CC[6a]HP)(CCO)(H)	116.1160	1.616	2	116.1160	2.613	2	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCCH)(CNO)(NHS)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCCH)(CNO)(NHS)(H)	N(CCCH)(CCO)(H)	117.6003	1.615	4	117.6003	2.608	4	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCCH)(CNO)(NHS)(H)	N(CH3)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCCH)(CNO)(NHS)(H)	N(CH3)(CCO)(H)	116.3430	0.000	1	116.3430	0.000	1	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCCO)(CNO)(NHS)(H)	N(CCHH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCCO)(CNO)(NHS)(H)	N(CCHH)(CCO)(H)	114.0620	0.000	1	114.0620	0.000	1	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCHH)(CNO)(NCC)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCHH)(CNO)(NCC)(H)	N(CCCH)(CCO)(H)	115.4972	1.504	5	115.4972	2.263	5	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCHH)(CNO)(NCC)(H)	N(CCHH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCHH)(CNO)(NCC)(H)	N(CCHH)(CCO)(H)	115.1970	0.000	1	115.1970	0.000	1	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCHH)(CNO)(NCH)(H)	N(CC3)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCHH)(CNO)(NCH)(H)	N(CC3)(CCO)(H)	116.1827	1.392	41	116.1827	1.937	41	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCHH)(CNO)(NCH)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCHH)(CNO)(NCH)(H)	N(CCCH)(CCO)(H)	116.7181	1.425	109	116.7181	2.031	109	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCHH)(CNO)(NCH)(H)	N(CCHH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCHH)(CNO)(NCH)(H)	N(CCHH)(CCO)(H)	117.2467	1.096	11	117.2467	1.201	11	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCHH)(CNO)(NCH)(H)	N(CC[6a]HH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCHH)(CNO)(NCH)(H)	N(CC[6a]HH)(CCO)(H)	116.2410	0.778	2	116.2410	0.605	2	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCHH)(CNO)(NCH)(H)	N(CH3)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCHH)(CNO)(NCH)(H)	N(CH3)(CCO)(H)	116.0400	0.000	1	116.0400	0.000	1	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCHI)(CNO)(NCH)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCHI)(CNO)(NCH)(H)	N(CCCH)(CCO)(H)	116.9340	0.000	1	116.9340	0.000	1	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCHO)(CNO)(NCH)(H)	N(CC3)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCHO)(CNO)(NCH)(H)	N(CC3)(CCO)(H)	116.8400	0.000	1	116.8400	0.000	1	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCHO)(CNO)(NCH)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCHO)(CNO)(NCH)(H)	N(CCCH)(CCO)(H)	116.4060	0.000	1	116.4060	0.000	1	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCHO)(CNO)(NCH)(H)	N(CC[5a]CH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCHO)(CNO)(NCH)(H)	N(CC[5a]CH)(CCO)(H)	117.2833	0.708	3	117.2833	0.502	3	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[5a]HH)(CNO)(NCH)(H)	N(CC3)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[5a]HH)(CNO)(NCH)(H)	N(CC3)(CCO)(H)	114.8040	3.594	2	114.8040	12.913	2	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[5a]HH)(CNO)(NCH)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[5a]HH)(CNO)(NCH)(H)	N(CCCH)(CCO)(H)	115.1555	1.882	6	115.1555	3.542	6	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[5a]HH)(CNO)(NHH)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[5a]HH)(CNO)(NHH)(H)	N(CCCH)(CCO)(H)	114.9240	0.000	1	114.9240	0.000	1	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[6a]2H)(CNO)(NCH)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[6a]2H)(CNO)(NCH)(H)	N(CCCH)(CCO)(H)	115.7070	0.000	1	115.7070	0.000	1	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[6a]CC)(CNO)(NCC)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[6a]CC)(CNO)(NCC)(H)	N(CCCH)(CCO)(H)	114.8360	0.000	1	114.8360	0.000	1	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[6a]CH)(CNO)(NCC)(H)	N(CC[6a]HH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[6a]CH)(CNO)(NCC)(H)	N(CC[6a]HH)(CCO)(H)	116.1723	0.629	3	116.1723	0.396	3	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NCC)(H)	N(CC3)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NCC)(H)	N(CC3)(CCO)(H)	114.8910	0.000	1	114.8910	0.000	1	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NCC)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NCC)(H)	N(CCCH)(CCO)(H)	118.0820	0.000	1	118.0820	0.000	1	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NCC)(H)	N(CCHH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NCC)(H)	N(CCHH)(CCO)(H)	117.0330	0.000	1	117.0330	0.000	1	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(CC3)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(CC3)(CCO)(H)	115.9513	1.764	32	115.9513	3.111	32	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(CCCH)(CCO)(H)	115.8705	1.745	67	115.8705	3.045	67	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(CCHH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(CCHH)(CCO)(H)	116.5050	0.940	3	116.5050	0.884	3	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(CC[5a]CH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(CC[5a]CH)(CCO)(H)	119.2740	0.000	1	119.2740	0.000	1	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(CC[5a]HH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(CC[5a]HH)(CCO)(H)	116.2540	0.000	1	116.2540	0.000	1	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(CC[6]HH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(CC[6]HH)(CCO)(H)	114.4700	0.000	1	114.4700	0.000	1	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(CC[6a]HH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(CC[6a]HH)(CCO)(H)	117.4540	1.535	3	117.4540	2.356	3	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(CH3)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(CH3)(CCO)(H)	117.3923	1.142	9	117.3923	1.304	9	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NHH)(H)	N(CCHH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NHH)(H)	N(CCHH)(CCO)(H)	116.6115	0.732	6	116.6115	0.536	6	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NHS)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NHS)(H)	N(CCCH)(CCO)(H)	116.2535	0.275	2	116.2535	0.076	2	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NHS)(H)	N(CCHH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[6a]HH)(CNO)(NHS)(H)	N(CCHH)(CCO)(H)	115.1820	0.000	1	115.1820	0.000	1	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[6a]HO)(CNO)(NCH)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[6a]HO)(CNO)(NCH)(H)	N(CCCH)(CCO)(H)	114.8810	0.074	2	114.8810	0.005	2	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CClCC)(CNO)(NHS)(H)	N(CCHH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CClCC)(CNO)(NHS)(H)	N(CCHH)(CCO)(H)	116.7300	0.000	1	116.7300	0.000	1	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NCC)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NCC)(H)	N(CCCH)(CCO)(H)	117.0710	0.000	1	117.0710	0.000	1	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NCH)(H)	N(CC3)(CCO)(H)	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NCH)(H)	N(CC3)(CCO)(H)	117.4506	0.990	7	117.4506	0.981	7	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NCH)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NCH)(H)	N(CCCH)(CCO)(H)	116.6045	1.351	40	116.6045	1.825	40	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NCH)(H)	N(CCHH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NCH)(H)	N(CCHH)(CCO)(H)	116.0767	1.457	17	116.0767	2.124	17	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NCH)(H)	N(CC[5]CC)(CCO)(H)	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NCH)(H)	N(CC[5]CC)(CCO)(H)	114.0770	0.000	1	114.0770	0.000	1	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NCH)(H)	N(CC[6]CH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NCH)(H)	N(CC[6]CH)(CCO)(H)	114.6463	0.088	3	114.6463	0.008	3	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NCH)(H)	N(CC[6]HH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NCH)(H)	N(CC[6]HH)(CCO)(H)	116.6622	1.825	5	116.6622	3.329	5	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NCH)(H)	N(CC[6a]CH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NCH)(H)	N(CC[6a]CH)(CCO)(H)	115.6425	0.691	2	115.6425	0.477	2	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NCH)(H)	N(CH3)(CCO)(H)	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NCH)(H)	N(CH3)(CCO)(H)	116.5703	1.246	3	116.5703	1.553	3	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NCN)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NCN)(H)	N(CCCH)(CCO)(H)	116.5380	0.000	1	116.5380	0.000	1	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NHH)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NHH)(H)	N(CCCH)(CCO)(H)	117.2870	0.336	4	117.2870	0.113	4	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NHS)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NHS)(H)	N(CCCH)(CCO)(H)	115.9910	0.272	3	115.9910	0.074	3	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CHHO)(CNO)(NCH)(H)	N(CC3)(CCO)(H)	C(CCHN)(NCH)(O)	C(CHHO)(CNO)(NCH)(H)	N(CC3)(CCO)(H)	115.8427	1.430	4	115.8427	2.045	4	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CHHO)(CNO)(NCH)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CHHO)(CNO)(NCH)(H)	N(CCCH)(CCO)(H)	116.8126	0.831	5	116.8126	0.691	5	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CHHS)(CNO)(NCH)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CHHS)(CNO)(NCH)(H)	N(CCCH)(CCO)(H)	115.9220	0.917	3	115.9220	0.840	3	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CHHS)(CNO)(NCH)(H)	N(CCHH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CHHS)(CNO)(NCH)(H)	N(CCHH)(CCO)(H)	117.5678	0.353	4	117.5678	0.124	4	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CHHS)(CNO)(NHH)(H)	N(CCHH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CHHS)(CNO)(NHH)(H)	N(CCHH)(CCO)(H)	118.1450	0.000	1	118.1450	0.000	1	116.4111	2.126	518	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:N-3:C-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[6a]HN)(NMoC)(CNO)(H)	N(CC3)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[6a]HN)(NMoC)(CNO)(H)	N(CC3)(CCO)(H)	116.4240	0.000	1	116.4240	0.000	1	116.4240	0.000	1	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C[5]-4:C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C(CC[5]CH)(NC[6]H)(O)	C(C[5]C[5]2C)(CCH)(CNO)(H)	N(C[6]C[6]2H)(CCO)(H)	C(CC[5]CH)(NC[6]H)(O)	C(C[5]C[5]2C)(CCH)(CNO)(H)	N(C[6]C[6]2H)(CCO)(H)	116.1560	0.000	1	116.1560	0.000	1	116.1560	0.000	1	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C[5]-4:C[6a]-3:C-3:H-1:	S-4:C-3:H-1:	C(CC[6a]C[5]H)(NHS)(O)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CNO)(H)	N(SC[6a]OO)(CCO)(H)	C(CC[6a]C[5]H)(NHS)(O)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(CNO)(H)	N(SC[6a]OO)(CCO)(H)	113.1250	0.000	1	113.1250	0.000	1	113.1250	0.000	1	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C[6]-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CC[6]HN)(NCH)(O)	C(C[6]C[6]2C)(CNO)(NCC)(H)	N(CC[6a]HH)(CCO)(H)	C(CC[6]HN)(NCH)(O)	C(C[6]C[6]2C)(CNO)(NCC)(H)	N(CC[6a]HH)(CCO)(H)	113.7836	1.174	5	113.7836	1.378	5	113.7836	1.378	5	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C[6]-4:C-3:N-3:H-1:	C[6]-4:C-3:H-1:	C(CC[6]HN)(NC[6]H)(O)	C(C[6]C[6]2H)(CNO)(NCC)(H)	N(C[6]C[6]2H)(CCO)(H)	C(CC[6]HN)(NC[6]H)(O)	C(C[6]C[6]2H)(CNO)(NCC)(H)	N(C[6]C[6]2H)(CCO)(H)	114.3780	0.000	1	114.3780	0.000	1	114.3780	0.000	1	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C[6]-4:C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(CC[6a]C[6]H)(NCH)(O)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CNO)(H)	N(CC[6a]HH)(CCO)(H)	C(CC[6a]C[6]H)(NCH)(O)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CNO)(H)	N(CC[6a]HH)(CCO)(H)	114.8110	0.000	1	114.8110	0.000	1	114.8110	0.000	1	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C[6]-4:N-3:C-3:H-1:	C-4:C-3:H-1:	C(CC[6]HN)(NCH)(O)	C(C[6]C[6]2C)(NC[6a]C)(CNO)(H)	N(CC[6a]HH)(CCO)(H)	C(CC[6]HN)(NCH)(O)	C(C[6]C[6]2C)(NC[6a]C)(CNO)(H)	N(CC[6a]HH)(CCO)(H)	114.1580	0.000	1	114.1580	0.000	1	114.1580	0.000	1	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	S-4:C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCHS)(NCH)(O)	C(SC[6a]OO)(CNO)(COO)(H)	N(CC[6a]HH)(CCO)(H)	C(CCHS)(NCH)(O)	C(SC[6a]OO)(CNO)(COO)(H)	N(CC[6a]HH)(CCO)(H)	115.9050	0.000	1	115.9050	0.000	1	115.9050	0.000	1	116.3772	2.264	536	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:2:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:N-2:	C(CCHN)(NCN)(O)	C(CHHO)(CNO)(NCH)(H)	N(CH3)(CCO)(NC)	C(CCHN)(NCN)(O)	C(CHHO)(CNO)(NCH)(H)	N(CH3)(CCO)(NC)	117.2360	0.569	2	117.2360	0.323	2	117.2360	0.323	2	117.8222	0.811	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:2:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:O-2:	C(CCHN)(NCO)(O)	C(CCCH)(CNO)(NCH)(H)	N(CCHH)(CCO)(OH)	C(CCHN)(NCO)(O)	C(CCCH)(CNO)(NCH)(H)	N(CCHH)(CCO)(OH)	118.4085	0.858	2	118.4085	0.736	2	118.4085	0.736	2	117.8222	0.811	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:3:	C-4:N-3:O-1:	C-4:C-3:C-3:H-1:	C-4:C-3:C-3:	C(CCCH)(NCC)(O)	C(CC[6a]HH)(CCH)(CNO)(H)	N(CC3)(CCC)(CCO)	C(CCCH)(NCC)(O)	C(CC[6a]HH)(CCH)(CNO)(H)	N(CC3)(CCC)(CCO)	116.2950	0.000	1	116.2950	0.000	1	116.2950	0.000	1	116.5835	0.166	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:3:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:C-3:	C(CCHN)(NCC)(O)	C(CC[5,6]HH)(CNO)(NCH)(H)	N(CC[6a]HH)(CC[5,6]H)(CCO)	C(CCHN)(NCC)(O)	C(CC[5,6]HH)(CNO)(NCH)(H)	N(CC[6a]HH)(CC[5,6]H)(CCO)	116.8720	0.000	1	116.8720	0.000	1	116.8720	0.000	1	116.5835	0.166	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCCH)(NCC)(O)	C(CC[5a]HH)(CCO)(CNO)(H)	N(CH3)2(CCO)	C(CCCH)(NCC)(O)	C(CC[5a]HH)(CCO)(CNO)(H)	N(CH3)2(CCO)	118.9560	0.000	1	118.9560	0.000	1	119.6095	0.854	2	118.9985	3.122	66	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCCH)(NCC)(O)	C(CC[6a]HN)(CCO)(CNO)(H)	N(CC[6a]HH)2(CCO)	C(CCCH)(NCC)(O)	C(CC[6a]HN)(CCO)(CNO)(H)	N(CC[6a]HH)2(CCO)	120.2630	0.000	1	120.2630	0.000	1	119.6095	0.854	2	118.9985	3.122	66	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:	C(CCHN)(NCC)(O)	C(CC3)(CNO)(NCC)(H)	N(CCCH)2(CCO)	C(CCHN)(NCC)(O)	C(CC3)(CNO)(NCC)(H)	N(CCCH)2(CCO)	118.9700	0.000	1	118.9700	0.000	1	118.9421	3.156	63	118.9985	3.122	66	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:	C(CCHN)(NCC)(O)	C(CC3)(CNO)(NCH)(H)	N(CH3)2(CCO)	C(CCHN)(NCC)(O)	C(CC3)(CNO)(NCH)(H)	N(CH3)2(CCO)	119.9150	0.605	2	119.9150	0.366	2	118.9421	3.156	63	118.9985	3.122	66	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:	C(CCHN)(NCC)(O)	C(CCCH)(CNO)(NCC)(H)	N(CCCH)(CH3)(CCO)	C(CCHN)(NCC)(O)	C(CCCH)(CNO)(NCC)(H)	N(CCCH)(CH3)(CCO)	119.3880	0.000	1	119.3880	0.000	1	118.9421	3.156	63	118.9985	3.122	66	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:	C(CCHN)(NCC)(O)	C(CCCH)(CNO)(NCC)(H)	N(CHHN)(CH3)(CCO)	C(CCHN)(NCC)(O)	C(CCCH)(CNO)(NCC)(H)	N(CHHN)(CH3)(CCO)	120.0720	1.297	3	120.0720	1.683	3	118.9421	3.156	63	118.9985	3.122	66	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:	C(CCHN)(NCC)(O)	C(CCCH)(CNO)(NCH)(H)	N(CCCH)(CH3)(CCO)	C(CCHN)(NCC)(O)	C(CCCH)(CNO)(NCH)(H)	N(CCCH)(CH3)(CCO)	119.1090	1.297	5	119.1090	1.681	5	118.9421	3.156	63	118.9985	3.122	66	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:	C(CCHN)(NCC)(O)	C(CCCH)(CNO)(NCH)(H)	N(CC[6a]HH)(CHHN)(CCO)	C(CCHN)(NCC)(O)	C(CCCH)(CNO)(NCH)(H)	N(CC[6a]HH)(CHHN)(CCO)	113.6580	0.000	1	113.6580	0.000	1	118.9421	3.156	63	118.9985	3.122	66	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:	C(CCHN)(NCC)(O)	C(CCCH)(CNO)(NCH)(H)	N(CH3)2(CCO)	C(CCHN)(NCC)(O)	C(CCCH)(CNO)(NCH)(H)	N(CH3)2(CCO)	120.0560	0.000	1	120.0560	0.000	1	118.9421	3.156	63	118.9985	3.122	66	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:	C(CCHN)(NCC)(O)	C(CCHH)(CNO)(NCC)(H)	N(CCCH)(CH3)(CCO)	C(CCHN)(NCC)(O)	C(CCHH)(CNO)(NCC)(H)	N(CCCH)(CH3)(CCO)	119.1070	0.000	1	119.1070	0.000	1	118.9421	3.156	63	118.9985	3.122	66	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:	C(CCHN)(NCC)(O)	C(CCHH)(CNO)(NCH)(H)	N(CCCH)(CH3)(CCO)	C(CCHN)(NCC)(O)	C(CCHH)(CNO)(NCH)(H)	N(CCCH)(CH3)(CCO)	118.9417	1.437	4	118.9417	2.065	4	118.9421	3.156	63	118.9985	3.122	66	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:	C(CCHN)(NCC)(O)	C(CCHH)(CNO)(NCH)(H)	N(CCHH)2(CCO)	C(CCHN)(NCC)(O)	C(CCHH)(CNO)(NCH)(H)	N(CCHH)2(CCO)	118.5268	0.628	10	118.5268	0.394	10	118.9421	3.156	63	118.9985	3.122	66	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:	C(CCHN)(NCC)(O)	C(CCHH)(CNO)(NCH)(H)	N(CH3)2(CCO)	C(CCHN)(NCC)(O)	C(CCHH)(CNO)(NCH)(H)	N(CH3)2(CCO)	119.0239	0.671	8	119.0239	0.450	8	118.9421	3.156	63	118.9985	3.122	66	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:	C(CCHN)(NCC)(O)	C(CC[5a]HH)(CNO)(NCH)(H)	N(CCCH)(CH3)(CCO)	C(CCHN)(NCC)(O)	C(CC[5a]HH)(CNO)(NCH)(H)	N(CCCH)(CH3)(CCO)	122.9780	0.000	1	122.9780	0.000	1	118.9421	3.156	63	118.9985	3.122	66	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:	C(CCHN)(NCC)(O)	C(CC[6a]CH)(CNO)(NCH)(H)	N(CCCH)2(CCO)	C(CCHN)(NCC)(O)	C(CC[6a]CH)(CNO)(NCH)(H)	N(CCCH)2(CCO)	121.2550	0.000	1	121.2550	0.000	1	118.9421	3.156	63	118.9985	3.122	66	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:	C(CCHN)(NCC)(O)	C(CC[6a]HH)(CNO)(NCC)(H)	N(CCCH)(CH3)(CCO)	C(CCHN)(NCC)(O)	C(CC[6a]HH)(CNO)(NCC)(H)	N(CCCH)(CH3)(CCO)	118.5620	0.000	1	118.5620	0.000	1	118.9421	3.156	63	118.9985	3.122	66	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:	C(CCHN)(NCC)(O)	C(CC[6a]HH)(CNO)(NCC)(H)	N(CHHN)(CH3)(CCO)	C(CCHN)(NCC)(O)	C(CC[6a]HH)(CNO)(NCC)(H)	N(CHHN)(CH3)(CCO)	118.4806	2.302	5	118.4806	5.299	5	118.9421	3.156	63	118.9985	3.122	66	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:	C(CCHN)(NCC)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(CCCH)(CH3)(CCO)	C(CCHN)(NCC)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(CCCH)(CH3)(CCO)	122.8980	1.205	2	122.8980	1.452	2	118.9421	3.156	63	118.9985	3.122	66	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:	C(CCHN)(NCC)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(CH3)2(CCO)	C(CCHN)(NCC)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(CH3)2(CCO)	117.7692	0.766	4	117.7692	0.587	4	118.9421	3.156	63	118.9985	3.122	66	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:	C(CCHN)(NCC)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(CHHN)(CH3)(CCO)	C(CCHN)(NCC)(O)	C(CC[6a]HH)(CNO)(NCH)(H)	N(CHHN)(CH3)(CCO)	114.7425	0.076	2	114.7425	0.006	2	118.9421	3.156	63	118.9985	3.122	66	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:	C(CCHN)(NCC)(O)	C(CH3)(CNO)(NCC)(H)	N(CC[6a]HH)(CCCH)(CCO)	C(CCHN)(NCC)(O)	C(CH3)(CNO)(NCC)(H)	N(CC[6a]HH)(CCCH)(CCO)	120.5620	0.000	1	120.5620	0.000	1	118.9421	3.156	63	118.9985	3.122	66	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:	C(CCHN)(NCC)(O)	C(CH3)(CNO)(NCC)(H)	N(CC[6a]HH)(CC[5]HH)(CCO)	C(CCHN)(NCC)(O)	C(CH3)(CNO)(NCC)(H)	N(CC[6a]HH)(CC[5]HH)(CCO)	118.4535	1.774	2	118.4535	3.148	2	118.9421	3.156	63	118.9985	3.122	66	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:	C(CCHN)(NCC)(O)	C(CH3)(CNO)(NCC)(H)	N(CHHN)(CH3)(CCO)	C(CCHN)(NCC)(O)	C(CH3)(CNO)(NCC)(H)	N(CHHN)(CH3)(CCO)	118.7190	0.249	2	118.7190	0.062	2	118.9421	3.156	63	118.9985	3.122	66	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-4:C-3:	C(CCHN)(NCC)(O)	C(CH3)(CNO)(NCH)(H)	N(CCCH)(CH3)(CCO)	C(CCHN)(NCC)(O)	C(CH3)(CNO)(NCH)(H)	N(CCCH)(CH3)(CCO)	119.3784	1.464	5	119.3784	2.144	5	118.9421	3.156	63	118.9985	3.122	66	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:1:	4:4:3:	C-4:N-3:O-1:	C[6]-4:C[6a]-3:C-3:H-1:	C[6]-4:S-4:C-3:	C(CC[6a]C[6]H)(NC[6]S)(O)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CNO)(H)	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(CCO)	C(CC[6a]C[6]H)(NC[6]S)(O)	C(C[6]C[6,6a]N[6]H)(C[6a]C[6a]2)(CNO)(H)	N(C[6]C[6,6a]C[6]H)(SC[6a]OO)(CCO)	121.3330	0.000	1	121.3330	0.000	1	121.3330	0.000	1	118.9985	3.122	66	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:2:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:C-3:N-2:	C-4:C-3:H-1:	C(CCCN)(NCH)(O)	C(CC[6a]HH)(CCH)(CNO)(NC)	N(CC[6a]CH)(CCO)(H)	C(CCCN)(NCH)(O)	C(CC[6a]HH)(CCH)(CNO)(NC)	N(CC[6a]CH)(CCO)(H)	115.8530	0.735	2	115.8530	0.541	2	115.8530	0.541	2	115.8530	0.541	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:2:	4:3:2:	C-4:N-3:O-1:	C-4:C-3:C-3:O-2:	C-4:C-3:O-2:	C(CCCO)(NCO)(O)	C(CCCH)(CCO)(CNO)(OH)	N(CH3)(CCO)(OC)	C(CCCO)(NCO)(O)	C(CCCH)(CCO)(CNO)(OH)	N(CH3)(CCO)(OC)	116.4960	0.000	1	116.4960	0.000	1	116.4960	0.000	1	116.4960	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:3:3:3:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:C-3:N-3:	C-4:C-3:H-1:	C(CCCN)(NCH)(O)	C(CC[6a]HH)(CNO)(COO)(NCH)	N(CC[6a]CH)(CCO)(H)	C(CCCN)(NCH)(O)	C(CC[6a]HH)(CNO)(COO)(NCH)	N(CC[6a]CH)(CCO)(H)	115.6050	0.000	1	115.6050	0.000	1	115.6050	0.000	1	115.6050	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-3:H-1:H-1:	C(CCCH)(NHH)(O)	C(CCHH)(CCHO)(CNO)(H)	N(CCO)(H)2	C(CCCH)(NHH)(O)	C(CCHH)(CCHO)(CNO)(H)	N(CCO)(H)2	117.7525	0.175	2	117.7525	0.031	2	117.0216	0.626	5	116.4329	0.901	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-3:H-1:H-1:	C(CCCH)(NHH)(O)	C(CCHH)2(CNO)(H)	N(CCO)(H)2	C(CCCH)(NHH)(O)	C(CCHH)2(CNO)(H)	N(CCO)(H)2	117.1830	0.000	1	117.1830	0.000	1	117.0216	0.626	5	116.4329	0.901	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-3:H-1:H-1:	C(CCCH)(NHH)(O)	C(CN[5a]HH)(CH3)(CNO)(H)	N(CCO)(H)2	C(CCCH)(NHH)(O)	C(CN[5a]HH)(CH3)(CNO)(H)	N(CCO)(H)2	116.2100	0.249	2	116.2100	0.062	2	117.0216	0.626	5	116.4329	0.901	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	3:1:1:	C-4:N-3:O-1:	C-4:N-4:C-3:H-1:	C-3:H-1:H-1:	C(CCHN)(NHH)(O)	C(CCHH)(NH3)(CNO)(H)	N(CCO)(H)2	C(CCHN)(NHH)(O)	C(CCHH)(NH3)(CNO)(H)	N(CCO)(H)2	115.0505	0.104	2	115.0505	0.011	2	115.8442	0.536	5	116.4329	0.901	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	3:1:1:	C-4:N-3:O-1:	C-4:N-4:C-3:H-1:	C-3:H-1:H-1:	C(CCHN)(NHH)(O)	C(CC[6a]HH)(NH3)(CNO)(H)	N(CCO)(H)2	C(CCHN)(NHH)(O)	C(CC[6a]HH)(NH3)(CNO)(H)	N(CCO)(H)2	116.3675	0.180	2	116.3675	0.033	2	115.8442	0.536	5	116.4329	0.901	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	3:1:1:	C-4:N-3:O-1:	C-4:N-4:C-3:H-1:	C-3:H-1:H-1:	C(CCHN)(NHH)(O)	C(CH3)(NH3)(CNO)(H)	N(CCO)(H)2	C(CCHN)(NHH)(O)	C(CH3)(NH3)(CNO)(H)	N(CCO)(H)2	116.3850	0.000	1	116.3850	0.000	1	115.8442	0.536	5	116.4329	0.901	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	3:2:1:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-3:N-2:H-1:	C(CCCH)(NHN)(O)	C(CH3)2(CNO)(H)	N(CCO)(NC)(H)	C(CCCH)(NHN)(O)	C(CH3)2(CNO)(H)	N(CCO)(NC)(H)	115.4170	0.000	1	115.4170	0.000	1	115.4170	0.000	1	114.3895	0.548	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	3:2:1:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-3:O-2:H-1:	C(CCCH)(NHO)(O)	C(CH3)2(CNO)(H)	N(CCO)(OC)(H)	C(CCCH)(NHO)(O)	C(CH3)2(CNO)(H)	N(CCO)(OC)(H)	114.0470	0.343	3	114.0470	0.118	3	114.0470	0.118	3	114.3895	0.548	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCCH)(NCH)(O)	C(CH3)2(CNO)(H)	N(CCO)(CNS)(H)	C(CCCH)(NCH)(O)	C(CH3)2(CNO)(H)	N(CCO)(CNS)(H)	115.5890	0.000	1	115.5890	0.000	1	115.5890	0.000	1	115.7578	1.063	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-3:N-3:H-1:	C(CCCH)(NHN)(O)	C(CH3)2(CNO)(H)	N(CCO)(NCH)(H)	C(CCCH)(NHN)(O)	C(CH3)2(CNO)(H)	N(CCO)(NCH)(H)	115.2600	1.201	3	115.2600	1.443	3	115.4110	1.053	4	115.7578	1.063	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-3:N-3:H-1:	C(CCCH)(NHN)(O)	C(CH3)2(CNO)(H)	N(CCO)(NHH)(H)	C(CCCH)(NHN)(O)	C(CH3)2(CNO)(H)	N(CCO)(NHH)(H)	115.8640	0.000	1	115.8640	0.000	1	115.4110	1.053	4	115.7578	1.063	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	3:3:1:	C-4:N-3:O-1:	C[3]-4:C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CC[3]CH)(NC[6a]H)(O)	C(C[3]C[3]2H)(CC[6a]HH)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[3]CH)(NC[6a]H)(O)	C(C[3]C[3]2H)(CC[6a]HH)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	115.1280	0.000	2	115.1280	0.000	2	115.1280	0.000	2	115.7578	1.063	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	3:3:1:	C-4:N-3:O-1:	C[5]-4:C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CC[5]CH)(NC[6a]H)(O)	C(C[5]C[5,6a]C[5a]C[5])(CH3)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5]CH)(NC[6a]H)(O)	C(C[5]C[5,6a]C[5a]C[5])(CH3)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	117.1655	0.272	2	117.1655	0.074	2	117.1655	0.074	2	115.7578	1.063	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	3:3:3:	C-4:N-3:O-1:	C[3]-4:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(CC[3]CH)(NC[6a]2)(O)	C(C[3]C[3]2H)(CCCH)(CNO)(H)	N(C[6a]C[6a]2)2(CCO)	C(CC[3]CH)(NC[6a]2)(O)	C(C[3]C[3]2H)(CCCH)(CNO)(H)	N(C[6a]C[6a]2)2(CCO)	119.5480	0.000	1	119.5480	0.000	1	118.9570	0.699	2	118.9570	0.699	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	3:3:3:	C-4:N-3:O-1:	C[3]-4:C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(CC[3]CH)(NC[6a]2)(O)	C(C[3]C[3]2H)(CH3)(CNO)(H)	N(C[6a]C[6a]2)2(CCO)	C(CC[3]CH)(NC[6a]2)(O)	C(C[3]C[3]2H)(CH3)(CNO)(H)	N(C[6a]C[6a]2)2(CCO)	118.3660	0.000	1	118.3660	0.000	1	118.9570	0.699	2	118.9570	0.699	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:O-1:	C(CCCH)(NCO)(H)	C(CC[6a]CO)(CH3)(CHN)(H)	N(CC3)(CCH)(O)	C(CCCH)(NCO)(H)	C(CC[6a]CO)(CH3)(CHN)(H)	N(CC3)(CCH)(O)	120.3740	0.000	2	120.3740	0.000	2	120.7880	0.229	4	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:H-1:	C-4:C-4:C-3:H-1:	C-4:C-3:O-1:	C(CCCH)(NCO)(H)	C(CC[6a]HO)(CH3)(CHN)(H)	N(CC3)(CCH)(O)	C(CCCH)(NCO)(H)	C(CC[6a]HO)(CH3)(CHN)(H)	N(CC3)(CCH)(O)	121.2020	0.000	2	121.2020	0.000	2	120.7880	0.229	4	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:Br-1:	C-4:C-3:H-1:	C(CBrCC)(NCH)(O)	C(CBrCH)(CH3)(CNO)(Br)	N(CC[6a]CH)(CCO)(H)	C(CBrCC)(NCH)(O)	C(CBrCH)(CH3)(CNO)(Br)	N(CC[6a]CH)(CCO)(H)	117.5370	0.000	1	117.5370	0.000	1	117.1640	0.253	3	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:Br-1:	C-4:C-3:H-1:	C(CBrCC)(NCH)(O)	C(CH3)2(CNO)(Br)	N(CC3)(CCO)(H)	C(CBrCC)(NCH)(O)	C(CH3)2(CNO)(Br)	N(CC3)(CCO)(H)	116.9775	0.545	2	116.9775	0.297	2	117.1640	0.253	3	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	C(CCCH)(CH3)(CNO)(H)	N(CC[6a]CH)(CCO)(H)	C(CCCH)(NCH)(O)	C(CCCH)(CH3)(CNO)(H)	N(CC[6a]CH)(CCO)(H)	116.2560	0.000	1	116.2560	0.000	1	116.5833	2.023	40	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	C(CCCN)(CH3)(CNO)(H)	N(CCHH)(CCO)(H)	C(CCCH)(NCH)(O)	C(CCCN)(CH3)(CNO)(H)	N(CCHH)(CCO)(H)	116.4300	0.000	1	116.4300	0.000	1	116.5833	2.023	40	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	C(CCHH)(CCHN)(CNO)(H)	N(CCCH)(CCO)(H)	C(CCCH)(NCH)(O)	C(CCHH)(CCHN)(CNO)(H)	N(CCCH)(CCO)(H)	116.8120	0.000	1	116.8120	0.000	1	116.5833	2.023	40	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	C(CCHH)(CCHO)(CNO)(H)	N(CCCH)(CCO)(H)	C(CCCH)(NCH)(O)	C(CCHH)(CCHO)(CNO)(H)	N(CCCH)(CCO)(H)	115.6440	0.000	1	115.6440	0.000	1	116.5833	2.023	40	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	C(CCHH)(CCHO)(CNO)(H)	N(CC[6a]HH)(CCO)(H)	C(CCCH)(NCH)(O)	C(CCHH)(CCHO)(CNO)(H)	N(CC[6a]HH)(CCO)(H)	116.6690	0.000	1	116.6690	0.000	1	116.5833	2.023	40	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	C(CCHH)(CH3)(CNO)(H)	N(CCCH)(CCO)(H)	C(CCCH)(NCH)(O)	C(CCHH)(CH3)(CNO)(H)	N(CCCH)(CCO)(H)	118.4750	3.353	4	118.4750	11.240	4	116.5833	2.023	40	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	C(CCHH)(CH3)(CNO)(H)	N(CC[6a]CH)(CCO)(H)	C(CCCH)(NCH)(O)	C(CCHH)(CH3)(CNO)(H)	N(CC[6a]CH)(CCO)(H)	115.0900	0.000	1	115.0900	0.000	1	116.5833	2.023	40	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	C(CCHH)(CHHN)(CNO)(H)	N(CCHH)(CCO)(H)	C(CCCH)(NCH)(O)	C(CCHH)(CHHN)(CNO)(H)	N(CCHH)(CCO)(H)	115.8760	0.000	1	115.8760	0.000	1	116.5833	2.023	40	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	C(CCHH)2(CNO)(H)	N(CH3)(CCO)(H)	C(CCCH)(NCH)(O)	C(CCHH)2(CNO)(H)	N(CH3)(CCO)(H)	117.0393	0.337	4	117.0393	0.114	4	116.5833	2.023	40	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	C(CCHO)(CH3)(CNO)(H)	N(CCHH)(CCO)(H)	C(CCCH)(NCH)(O)	C(CCHO)(CH3)(CNO)(H)	N(CCHH)(CCO)(H)	118.5690	0.000	1	118.5690	0.000	1	116.5833	2.023	40	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	C(CC[5]HO)(CH3)(CNO)(H)	N(CCHH)(CCO)(H)	C(CCCH)(NCH)(O)	C(CC[5]HO)(CH3)(CNO)(H)	N(CCHH)(CCO)(H)	115.5820	0.000	1	115.5820	0.000	1	116.5833	2.023	40	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	C(CC[6a]CH)(CH3)(CNO)(H)	N(CC[6a]HH)(CCO)(H)	C(CCCH)(NCH)(O)	C(CC[6a]CH)(CH3)(CNO)(H)	N(CC[6a]HH)(CCO)(H)	115.5445	0.428	2	115.5445	0.183	2	116.5833	2.023	40	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	C(CC[6a]CO)(CH3)(CNO)(H)	N(CCHH)(CCO)(H)	C(CCCH)(NCH)(O)	C(CC[6a]CO)(CH3)(CNO)(H)	N(CCHH)(CCO)(H)	116.8095	1.042	2	116.8095	1.085	2	116.5833	2.023	40	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	C(CC[6a]HH)(CCCH)(CNO)(H)	N(CC[6a]CH)(CCO)(H)	C(CCCH)(NCH)(O)	C(CC[6a]HH)(CCCH)(CNO)(H)	N(CC[6a]CH)(CCO)(H)	117.1370	0.000	1	117.1370	0.000	1	116.5833	2.023	40	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	C(CC[6a]HH)(CHHN)(CNO)(H)	N(CCCH)(CCO)(H)	C(CCCH)(NCH)(O)	C(CC[6a]HH)(CHHN)(CNO)(H)	N(CCCH)(CCO)(H)	116.3470	0.132	2	116.3470	0.017	2	116.5833	2.023	40	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	C(CC[6a]HN)(CCHO)(CNO)(H)	N(CC[6a]CH)(CCO)(H)	C(CCCH)(NCH)(O)	C(CC[6a]HN)(CCHO)(CNO)(H)	N(CC[6a]CH)(CCO)(H)	116.9815	0.397	2	116.9815	0.157	2	116.5833	2.023	40	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	C(CC[6a]HN)(CH3)(CNO)(H)	N(CCCH)(CCO)(H)	C(CCCH)(NCH)(O)	C(CC[6a]HN)(CH3)(CNO)(H)	N(CCCH)(CCO)(H)	118.1280	0.219	2	118.1280	0.048	2	116.5833	2.023	40	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	C(CC[6a]HO)(CH3)(CNO)(H)	N(CH3)(CCO)(H)	C(CCCH)(NCH)(O)	C(CC[6a]HO)(CH3)(CNO)(H)	N(CH3)(CCO)(H)	115.5610	0.000	1	115.5610	0.000	1	116.5833	2.023	40	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	C(CH3)2(CNO)(H)	N(CC3)(CCO)(H)	C(CCCH)(NCH)(O)	C(CH3)2(CNO)(H)	N(CC3)(CCO)(H)	116.1625	0.861	4	116.1625	0.741	4	116.5833	2.023	40	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	C(CH3)2(CNO)(H)	N(CCCH)(CCO)(H)	C(CCCH)(NCH)(O)	C(CH3)2(CNO)(H)	N(CCCH)(CCO)(H)	115.2050	0.235	2	115.2050	0.055	2	116.5833	2.023	40	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	C(CH3)2(CNO)(H)	N(CC[3]HH)(CCO)(H)	C(CCCH)(NCH)(O)	C(CH3)2(CNO)(H)	N(CC[3]HH)(CCO)(H)	115.9270	0.000	1	115.9270	0.000	1	116.5833	2.023	40	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	C(CH3)2(CNO)(H)	N(CC[6a]HH)(CCO)(H)	C(CCCH)(NCH)(O)	C(CH3)2(CNO)(H)	N(CC[6a]HH)(CCO)(H)	116.3200	0.000	1	116.3200	0.000	1	116.5833	2.023	40	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(NCH)(O)	C(CHHN)(CF3)(CNO)(H)	N(CCCH)(CCO)(H)	C(CCCH)(NCH)(O)	C(CHHN)(CF3)(CNO)(H)	N(CCCH)(CCO)(H)	115.5737	0.392	3	115.5737	0.154	3	116.5833	2.023	40	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	S-4:C-3:H-1:	C(CCCH)(NHS)(O)	C(CH3)2(CNO)(H)	N(SC[6a]OO)(CCO)(H)	C(CCCH)(NHS)(O)	C(CH3)2(CNO)(H)	N(SC[6a]OO)(CCO)(H)	113.4493	0.193	3	113.4493	0.037	3	113.4493	0.037	3	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCCH)(NCHH)(CNO)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCCH)(NCHH)(CNO)(H)	N(CCCH)(CCO)(H)	115.0300	0.000	1	115.0300	0.000	1	115.6865	1.210	96	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCCH)(NH3)(CNO)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCCH)(NH3)(CNO)(H)	N(CCCH)(CCO)(H)	115.7740	0.807	8	115.7740	0.651	8	115.6865	1.210	96	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCCH)(NH3)(CNO)(H)	N(CCHH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCCH)(NH3)(CNO)(H)	N(CCHH)(CCO)(H)	113.7610	0.240	2	113.7610	0.058	2	115.6865	1.210	96	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCCH)(NH3)(CNO)(H)	N(CC[6a]CH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCCH)(NH3)(CNO)(H)	N(CC[6a]CH)(CCO)(H)	116.0880	0.000	1	116.0880	0.000	1	115.6865	1.210	96	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCHH)(NCHH)(CNO)(H)	N(CC3)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCHH)(NCHH)(CNO)(H)	N(CC3)(CCO)(H)	116.2210	0.000	1	116.2210	0.000	1	115.6865	1.210	96	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCHH)(NCHH)(CNO)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCHH)(NCHH)(CNO)(H)	N(CCCH)(CCO)(H)	115.2055	1.453	2	115.2055	2.112	2	115.6865	1.210	96	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCHH)(NCHH)(CNO)(H)	N(CCHH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCHH)(NCHH)(CNO)(H)	N(CCHH)(CCO)(H)	114.6600	0.000	1	114.6600	0.000	1	115.6865	1.210	96	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCHH)(NH3)(CNO)(H)	N(CC3)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCHH)(NH3)(CNO)(H)	N(CC3)(CCO)(H)	115.9840	0.000	1	115.9840	0.000	1	115.6865	1.210	96	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCHH)(NH3)(CNO)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCHH)(NH3)(CNO)(H)	N(CCCH)(CCO)(H)	115.4078	0.982	16	115.4078	0.965	16	115.6865	1.210	96	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCHH)(NH3)(CNO)(H)	N(CCHH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCHH)(NH3)(CNO)(H)	N(CCHH)(CCO)(H)	116.2670	0.744	7	116.2670	0.554	7	115.6865	1.210	96	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCHH)(NH3)(CNO)(H)	N(CC[4]HH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCHH)(NH3)(CNO)(H)	N(CC[4]HH)(CCO)(H)	116.0517	0.536	4	116.0517	0.287	4	115.6865	1.210	96	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCHO)(NH3)(CNO)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCHO)(NH3)(CNO)(H)	N(CCCH)(CCO)(H)	116.6560	0.000	1	116.6560	0.000	1	115.6865	1.210	96	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[5a]HH)(NH3)(CNO)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[5a]HH)(NH3)(CNO)(H)	N(CCCH)(CCO)(H)	114.7557	0.407	3	114.7557	0.166	3	115.6865	1.210	96	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[5a]HH)(NH3)(CNO)(H)	N(CCHH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[5a]HH)(NH3)(CNO)(H)	N(CCHH)(CCO)(H)	118.2300	0.000	1	118.2300	0.000	1	115.6865	1.210	96	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[6a]2H)(NH3)(CNO)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[6a]2H)(NH3)(CNO)(H)	N(CCCH)(CCO)(H)	115.6340	0.000	1	115.6340	0.000	1	115.6865	1.210	96	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[6a]HH)(NH3)(CNO)(H)	N(CC3)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[6a]HH)(NH3)(CNO)(H)	N(CC3)(CCO)(H)	116.4480	0.000	1	116.4480	0.000	1	115.6865	1.210	96	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[6a]HH)(NH3)(CNO)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[6a]HH)(NH3)(CNO)(H)	N(CCCH)(CCO)(H)	115.2137	0.927	7	115.2137	0.859	7	115.6865	1.210	96	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[6a]HH)(NH3)(CNO)(H)	N(CCHH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[6a]HH)(NH3)(CNO)(H)	N(CCHH)(CCO)(H)	116.9896	0.988	5	116.9896	0.976	5	115.6865	1.210	96	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[6a]HH)(NH3)(CNO)(H)	N(CH3)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[6a]HH)(NH3)(CNO)(H)	N(CH3)(CCO)(H)	114.9470	0.000	1	114.9470	0.000	1	115.6865	1.210	96	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CC[6a]HO)(NH3)(CNO)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CC[6a]HO)(NH3)(CNO)(H)	N(CCCH)(CCO)(H)	115.9660	0.000	1	115.9660	0.000	1	115.6865	1.210	96	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CH3)(NH3)(CNO)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CH3)(NH3)(CNO)(H)	N(CCCH)(CCO)(H)	115.6069	1.133	20	115.6069	1.285	20	115.6865	1.210	96	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CH3)(NH3)(CNO)(H)	N(CCHH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CH3)(NH3)(CNO)(H)	N(CCHH)(CCO)(H)	115.9744	1.791	7	115.9744	3.208	7	115.6865	1.210	96	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CHHO)(NH3)(CNO)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CHHO)(NH3)(CNO)(H)	N(CCCH)(CCO)(H)	115.4105	0.229	4	115.4105	0.053	4	115.6865	1.210	96	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C[5]-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CC[5]CH)(NCH)(O)	C(C[5]C[5]N[5]H)(CH3)(CNO)(H)	N(CC[6a]CH)(CCO)(H)	C(CC[5]CH)(NCH)(O)	C(C[5]C[5]N[5]H)(CH3)(CNO)(H)	N(CC[6a]CH)(CCO)(H)	114.9710	0.232	2	114.9710	0.054	2	114.9710	0.054	2	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C[6]-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CC[6]CH)(NCH)(O)	C(C[6]C[6]2H)(CCHH)(CNO)(H)	N(CCCH)(CCO)(H)	C(CC[6]CH)(NCH)(O)	C(C[6]C[6]2H)(CCHH)(CNO)(H)	N(CCCH)(CCO)(H)	116.1218	1.265	5	116.1218	1.601	5	116.1218	1.601	5	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	N-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(NPdCC)(CH3)(CNO)(H)	N(CH3)(CCO)(H)	C(CCHN)(NCH)(O)	C(NPdCC)(CH3)(CNO)(H)	N(CH3)(CCO)(H)	114.6083	2.082	3	114.6083	4.333	3	114.6083	4.333	3	116.0167	2.300	156	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:2:	C-4:N-3:O-1:	C[6]-4:C-4:C-3:H-1:	C-4:C-3:O-2:	C(CC[6]CH)(NCO)(O)	C(C[6]C[6]O[6]H)(CCHH)(CNO)(H)	N(CH3)(CCO)(OH)	C(CC[6]CH)(NCO)(O)	C(C[6]C[6]O[6]H)(CCHH)(CNO)(H)	N(CH3)(CCO)(OH)	119.4450	0.000	1	119.4450	0.000	1	119.4450	0.000	1	119.4450	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:3:	C-4:N-3:O-1:	C-4:C-4:C-3:Br-1:	C-4:C-3:C-3:	C(CBrCC)(NCC)(O)	C(CH3)2(CNO)(Br)	N(CC[6a]HH)(CC[6a]C)(CCO)	C(CBrCC)(NCC)(O)	C(CH3)2(CNO)(Br)	N(CC[6a]HH)(CC[6a]C)(CCO)	120.7740	0.000	1	120.7740	0.000	1	120.7740	0.000	1	120.2925	0.464	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:3:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-4:C-3:C-3:	C(CCCH)(NCC)(O)	C(CH3)2(CNO)(H)	N(CCHH)(CCO)2	C(CCCH)(NCC)(O)	C(CH3)2(CNO)(H)	N(CCHH)(CCO)2	119.8110	0.000	1	119.8110	0.000	1	119.8110	0.000	1	120.2925	0.464	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:4:3:	C-4:N-3:H-1:	B-4:C-4:C-3:H-1:	C-4:C-4:C-3:	C(CBCH)(NCC)(H)	C(BC[6a]2C)(CH3)(CHN)(H)	N(CCHH)(CC3)(CCH)	C(CBCH)(NCC)(H)	C(BC[6a]2C)(CH3)(CHN)(H)	N(CCHH)(CC3)(CCH)	123.8780	0.000	1	123.8780	0.000	1	123.8780	0.000	1	119.6486	4.257	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:	C(CCCH)(NCC)(O)	C(CCCN)(CH3)(CNO)(H)	N(CCHH)2(CCO)	C(CCCH)(NCC)(O)	C(CCCN)(CH3)(CNO)(H)	N(CCHH)2(CCO)	121.0350	0.000	1	121.0350	0.000	1	119.9137	2.569	3	119.6486	4.257	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:	C(CCCH)(NCC)(O)	C(CCHH)(CH3)(CNO)(H)	N(CCCH)(CH3)(CCO)	C(CCCH)(NCC)(O)	C(CCHH)(CH3)(CNO)(H)	N(CCCH)(CH3)(CCO)	120.6280	0.000	1	120.6280	0.000	1	119.9137	2.569	3	119.6486	4.257	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:4:3:	C-4:N-3:O-1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:	C(CCCH)(NCC)(O)	C(CC[6a]HH)(CH3)(CNO)(H)	N(CC[6a]HH)(CCCH)(CCO)	C(CCCH)(NCC)(O)	C(CC[6a]HH)(CH3)(CNO)(H)	N(CC[6a]HH)(CCCH)(CCO)	118.0780	0.000	1	118.0780	0.000	1	119.9137	2.569	3	119.6486	4.257	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:4:3:	C-4:N-3:O-1:	P-4:C-4:C-3:H-1:	C-4:C-4:C-3:	C(CCHP)(NCC)(O)	C(PC[6a]2O)(CCHH)(CNO)(H)	N(CCHH)2(CCO)	C(CCHP)(NCC)(O)	C(PC[6a]2O)(CCHH)(CNO)(H)	N(CCHH)2(CCO)	120.3760	0.000	1	120.3760	0.000	1	118.9240	1.400	4	119.6486	4.257	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:4:3:	C-4:N-3:O-1:	P-4:C-4:C-3:H-1:	C-4:C-4:C-3:	C(CCHP)(NCC)(O)	C(PC[6a]2O)(CC[6]HH)(CNO)(H)	N(CCHH)2(CCO)	C(CCHP)(NCC)(O)	C(PC[6a]2O)(CC[6]HH)(CNO)(H)	N(CCHH)2(CCO)	118.8585	0.582	2	118.8585	0.339	2	118.9240	1.400	4	119.6486	4.257	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:4:3:	C-4:N-3:O-1:	P-4:C-4:C-3:H-1:	C-4:C-4:C-3:	C(CCHP)(NCC)(O)	C(PC[6a]2Pd)(CC[6]HH)(CNO)(H)	N(CH3)2(CCO)	C(CCHP)(NCC)(O)	C(PC[6a]2Pd)(CC[6]HH)(CNO)(H)	N(CH3)2(CCO)	117.6030	0.000	1	117.6030	0.000	1	118.9240	1.400	4	119.6486	4.257	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:1:	4:4:3:	C-4:N-3:Se-1:	C-4:C-4:C-3:H-1:	C-4:C-4:C-3:	C(CCCH)(NCC)(Se)	C(CCHH)(CCHO)(CSeN)(H)	N(CC[6a]HH)2(CSeC)	C(CCCH)(NCC)(Se)	C(CCHH)(CCHO)(CSeN)(H)	N(CC[6a]HH)2(CSeC)	117.5220	0.000	1	117.5220	0.000	1	117.5220	0.000	1	119.6486	4.257	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:2:	3:1:1:	C-4:N-3:O-1:	C-4:C-4:C-3:C-2:	C-3:H-1:H-1:	C(CC3)(NHH)(O)	C(CH3)2(CNO)(CN)	N(CCO)(H)2	C(CC3)(NHH)(O)	C(CH3)2(CNO)(CN)	N(CCO)(H)2	118.5100	0.000	1	118.5100	0.000	1	118.5100	0.000	1	117.7525	1.148	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:2:	3:1:1:	C-4:N-3:O-1:	C-4:C-4:C-3:O-2:	C-3:H-1:H-1:	C(CCCO)(NHH)(O)	C(CH3)2(CNO)(ON)	N(CCO)(H)2	C(CCCO)(NHH)(O)	C(CH3)2(CNO)(ON)	N(CCO)(H)2	116.9950	0.000	1	116.9950	0.000	1	116.9950	0.000	1	117.7525	1.148	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:2:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:N-2:	C-4:C-3:H-1:	C(CCCN)(NCH)(O)	C(CH3)2(CNO)(NC)	N(CC3)(CCO)(H)	C(CCCN)(NCH)(O)	C(CH3)2(CNO)(NC)	N(CC3)(CCO)(H)	115.0390	0.000	1	115.0390	0.000	1	117.4700	1.771	11	117.0748	1.779	15	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:2:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:N-2:	C-4:C-3:H-1:	C(CCCN)(NCH)(O)	C(CH3)2(CNO)(NC)	N(CCHH)(CCO)(H)	C(CCCN)(NCH)(O)	C(CH3)2(CNO)(NC)	N(CCHH)(CCO)(H)	118.2070	0.000	1	118.2070	0.000	1	117.4700	1.771	11	117.0748	1.779	15	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:2:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:N-2:	C-4:C-3:H-1:	C(CCCN)(NCH)(O)	C(CH3)2(CNO)(NN)	N(CC3)(CCO)(H)	C(CCCN)(NCH)(O)	C(CH3)2(CNO)(NN)	N(CC3)(CCO)(H)	117.9711	0.746	8	117.9711	0.556	8	117.4700	1.771	11	117.0748	1.779	15	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:2:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:N-2:	C-4:C-3:H-1:	C(CCCN)(NCH)(O)	C(CH3)2(CNO)(NS)	N(CC3)(CCO)(H)	C(CCCN)(NCH)(O)	C(CH3)2(CNO)(NS)	N(CC3)(CCO)(H)	115.1550	0.000	1	115.1550	0.000	1	117.4700	1.771	11	117.0748	1.779	15	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:2:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:O-2:	C-4:C-3:H-1:	C(CCCO)(NCH)(O)	C(CCHH)(CF3)(CNO)(OC)	N(CC[6a]HH)(CCO)(H)	C(CCCO)(NCH)(O)	C(CCHH)(CF3)(CNO)(OC)	N(CC[6a]HH)(CCO)(H)	115.6750	0.000	1	115.6750	0.000	1	115.9273	0.353	3	117.0748	1.779	15	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:2:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:O-2:	C-4:C-3:H-1:	C(CCCO)(NCH)(O)	C(CCHO)(CH3)(CNO)(OH)	N(CC[6a]HH)(CCO)(H)	C(CCCO)(NCH)(O)	C(CCHO)(CH3)(CNO)(OH)	N(CC[6a]HH)(CCO)(H)	115.5010	0.000	1	115.5010	0.000	1	115.9273	0.353	3	117.0748	1.779	15	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:2:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:O-2:	C-4:C-3:H-1:	C(CCCO)(NCH)(O)	C(CClHH)(CH3)(CNO)(OH)	N(CC3)(CCO)(H)	C(CCCO)(NCH)(O)	C(CClHH)(CH3)(CNO)(OH)	N(CC3)(CCO)(H)	116.6060	0.000	1	116.6060	0.000	1	115.9273	0.353	3	117.0748	1.779	15	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:2:	4:3:1:	C-4:N-3:O-1:	P-4:C-4:C-3:O-2:	C-4:C-3:H-1:	C(CCOP)(NCH)(O)	C(PCOO)(CH3)(CNO)(OH)	N(CC[6a]HH)(CCO)(H)	C(CCOP)(NCH)(O)	C(PCOO)(CH3)(CNO)(OH)	N(CC[6a]HH)(CCO)(H)	116.1700	0.000	1	116.1700	0.000	1	116.1700	0.000	1	117.0748	1.779	15	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:2:	4:3:2:	C-4:N-3:O-1:	C-4:C-4:C-3:C-2:	C-4:C-3:O-2:	C(CC3)(NCO)(O)	C(CH3)2(CNO)(CH)	N(CCHH)(CCO)(OH)	C(CC3)(NCO)(O)	C(CH3)2(CNO)(CH)	N(CCHH)(CCO)(OH)	113.8160	0.000	1	113.8160	0.000	1	113.8160	0.000	1	113.8160	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:2:	4:3:3:	C-4:N-3:O-1:	C[5]-4:C-4:C-3:C-2:	C-4:C-3:C-3:	C(CC[5]CC)(NCC)(O)	C(C[5]C[5]2H)(CH3)(CNO)(CC)	N(CH3)(CCH)(CCO)	C(CC[5]CC)(NCC)(O)	C(C[5]C[5]2H)(CH3)(CNO)(CC)	N(CH3)(CCH)(CCO)	121.8480	0.000	1	121.8480	0.000	1	121.8480	0.000	1	121.8480	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:2:	4:4:3:	C-4:N-3:O-1:	C-4:C-4:C-3:S-2:	C-4:C-4:C-3:	C(CCCS)(NCC)(O)	C(CCHH)(CH3)(CNO)(SC)	N(CH3)2(CCO)	C(CCCS)(NCC)(O)	C(CCHH)(CH3)(CNO)(SC)	N(CH3)2(CCO)	121.9580	0.000	1	121.9580	0.000	1	121.9580	0.000	1	121.9580	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:3:	3:1:1:	C-4:N-3:O-1:	C-4:C-4:C-3:C-3:	C-3:H-1:H-1:	C(CC3)(NHH)(O)	C(CH3)2(CCH)(CNO)	N(CCO)(H)2	C(CC3)(NHH)(O)	C(CH3)2(CCH)(CNO)	N(CCO)(H)2	118.0960	0.000	1	118.0960	0.000	1	118.0960	0.000	1	118.1617	0.184	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:3:	3:1:1:	C-4:N-3:O-1:	C-4:C-4:C-3:N-3:	C-3:H-1:H-1:	C(CCCN)(NHH)(O)	C(CCCH)(CCHH)(CNO)(NCH)	N(CCO)(H)2	C(CCCN)(NHH)(O)	C(CCCH)(CCHH)(CNO)(NCH)	N(CCO)(H)2	118.5650	0.000	1	118.5650	0.000	1	118.1837	0.273	3	118.1617	0.184	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:3:	3:1:1:	C-4:N-3:O-1:	C-4:C-4:C-3:N-3:	C-3:H-1:H-1:	C(CCCN)(NHH)(O)	C(CCCH)(CH3)(CNO)(NHH)	N(CCO)(H)2	C(CCCN)(NHH)(O)	C(CCCH)(CH3)(CNO)(NHH)	N(CCO)(H)2	117.5880	0.000	1	117.5880	0.000	1	118.1837	0.273	3	118.1617	0.184	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:3:	3:1:1:	C-4:N-3:O-1:	C-4:C-4:C-3:N-3:	C-3:H-1:H-1:	C(CCCN)(NHH)(O)	C(CH3)2(CNO)(NCH)	N(CCO)(H)2	C(CCCN)(NHH)(O)	C(CH3)2(CNO)(NCH)	N(CCO)(H)2	118.3980	0.000	1	118.3980	0.000	1	118.1837	0.273	3	118.1617	0.184	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:3:	3:2:1:	C-4:N-3:O-1:	C-4:C-4:C-3:N-3:	C-3:N-2:H-1:	C(CCCN)(NHN)(O)	C(CC[6a]HH)(CH3)(CNO)(NCH)	N(CCO)(NC)(H)	C(CCCN)(NHN)(O)	C(CC[6a]HH)(CH3)(CNO)(NCH)	N(CCO)(NC)(H)	115.8545	1.158	2	115.8545	1.340	2	115.8545	1.340	2	115.8545	1.340	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:3:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:C-3:	C-4:C-3:H-1:	C(CC3)(NCH)(O)	C(CCHH)(CH3)(CNO)(COO)	N(CCHH)(CCO)(H)	C(CC3)(NCH)(O)	C(CCHH)(CH3)(CNO)(COO)	N(CCHH)(CCO)(H)	119.5150	0.000	1	119.5150	0.000	1	118.5540	0.727	3	116.9096	1.199	270	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:3:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:C-3:	C-4:C-3:H-1:	C(CC3)(NCH)(O)	C(CH3)2(CNO)2	N(CC3)(CCO)(H)	C(CC3)(NCH)(O)	C(CH3)2(CNO)2	N(CC3)(CCO)(H)	118.0735	0.262	2	118.0735	0.069	2	118.5540	0.727	3	116.9096	1.199	270	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:3:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:N-3:	C-4:C-3:H-1:	C(CCCN)(NCH)(O)	C(CCCH)(CH3)(CNO)(NCH)	N(CC3)(CCO)(H)	C(CCCN)(NCH)(O)	C(CCCH)(CH3)(CNO)(NCH)	N(CC3)(CCO)(H)	117.1120	1.224	8	117.1120	1.498	8	116.8833	1.164	266	116.9096	1.199	270	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:3:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:N-3:	C-4:C-3:H-1:	C(CCCN)(NCH)(O)	C(CCCH)(CH3)(CNO)(NCH)	N(CH3)(CCO)(H)	C(CCCN)(NCH)(O)	C(CCCH)(CH3)(CNO)(NCH)	N(CH3)(CCO)(H)	114.9750	0.000	1	114.9750	0.000	1	116.8833	1.164	266	116.9096	1.199	270	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:3:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:N-3:	C-4:C-3:H-1:	C(CCCN)(NCH)(O)	C(CCHH)2(CNO)(NCH)	N(CC3)(CCO)(H)	C(CCCN)(NCH)(O)	C(CCHH)2(CNO)(NCH)	N(CC3)(CCO)(H)	116.7053	1.361	4	116.7053	1.853	4	116.8833	1.164	266	116.9096	1.199	270	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:3:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:N-3:	C-4:C-3:H-1:	C(CCCN)(NCH)(O)	C(CC[6a]HH)(CH3)(CNO)(NCH)	N(CCCH)(CCO)(H)	C(CCCN)(NCH)(O)	C(CC[6a]HH)(CH3)(CNO)(NCH)	N(CCCH)(CCO)(H)	118.7590	0.000	1	118.7590	0.000	1	116.8833	1.164	266	116.9096	1.199	270	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:3:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:N-3:	C-4:C-3:H-1:	C(CCCN)(NCH)(O)	C(CH3)2(CNO)(NCH)	N(CC3)(CCO)(H)	C(CCCN)(NCH)(O)	C(CH3)2(CNO)(NCH)	N(CC3)(CCO)(H)	116.7653	0.880	121	116.7653	0.774	121	116.8833	1.164	266	116.9096	1.199	270	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:3:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:N-3:	C-4:C-3:H-1:	C(CCCN)(NCH)(O)	C(CH3)2(CNO)(NCH)	N(CCCH)(CCO)(H)	C(CCCN)(NCH)(O)	C(CH3)2(CNO)(NCH)	N(CCCH)(CCO)(H)	116.8415	1.063	94	116.8415	1.129	94	116.8833	1.164	266	116.9096	1.199	270	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:3:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:N-3:	C-4:C-3:H-1:	C(CCCN)(NCH)(O)	C(CH3)2(CNO)(NCH)	N(CCHH)(CCO)(H)	C(CCCN)(NCH)(O)	C(CH3)2(CNO)(NCH)	N(CCHH)(CCO)(H)	117.5093	1.724	23	117.5093	2.970	23	116.8833	1.164	266	116.9096	1.199	270	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:3:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:N-3:	C-4:C-3:H-1:	C(CCCN)(NCH)(O)	C(CH3)2(CNO)(NCH)	N(CC[6]HH)(CCO)(H)	C(CCCN)(NCH)(O)	C(CH3)2(CNO)(NCH)	N(CC[6]HH)(CCO)(H)	116.8260	0.724	2	116.8260	0.524	2	116.8833	1.164	266	116.9096	1.199	270	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:3:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:N-3:	C-4:C-3:H-1:	C(CCCN)(NCH)(O)	C(CH3)2(CNO)(NCH)	N(CH3)(CCO)(H)	C(CCCN)(NCH)(O)	C(CH3)2(CNO)(NCH)	N(CH3)(CCO)(H)	117.4620	0.000	1	117.4620	0.000	1	116.8833	1.164	266	116.9096	1.199	270	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:3:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:N-3:	C-4:C-3:H-1:	C(CCCN)(NCH)(O)	C(CH3)2(CNO)(NHS)	N(CC3)(CCO)(H)	C(CCCN)(NCH)(O)	C(CH3)2(CNO)(NHS)	N(CC3)(CCO)(H)	116.2280	1.423	2	116.2280	2.024	2	116.8833	1.164	266	116.9096	1.199	270	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:3:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:N-3:	C-4:C-3:H-1:	C(CCCN)(NCH)(O)	C(CH3)2(CNO)(NHS)	N(CH3)(CCO)(H)	C(CCCN)(NCH)(O)	C(CH3)2(CNO)(NHS)	N(CH3)(CCO)(H)	117.2802	0.827	9	117.2802	0.683	9	116.8833	1.164	266	116.9096	1.199	270	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:3:	4:3:1:	C-4:N-3:O-1:	C[5]-4:C-4:C-3:N-3:	C-4:C-3:H-1:	C(CC[5]CN)(NCH)(O)	C(C[5]C[5]2H)(CH3)(CNO)(NCH)	N(CC[6a]2H)(CCO)(H)	C(CC[5]CN)(NCH)(O)	C(C[5]C[5]2H)(CH3)(CNO)(NCH)	N(CC[6a]2H)(CCO)(H)	118.9650	0.000	1	118.9650	0.000	1	118.9650	0.000	1	116.9096	1.199	270	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:3:	4:4:3:	C-4:N-3:O-1:	C-4:C-4:C-3:C-3:	C-4:C-4:C-3:	C(CC3)(NCC)(O)	C(CH3)2(CCO)(CNO)	N(CCHH)(CH3)(CCO)	C(CC3)(NCC)(O)	C(CH3)2(CCO)(CNO)	N(CCHH)(CH3)(CCO)	121.0090	0.000	1	121.0090	0.000	1	121.0090	0.000	1	121.0900	0.788	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:3:	4:4:3:	C-4:N-3:O-1:	C-4:C-4:C-3:N-3:	C-4:C-4:C-3:	C(CCCN)(NCC)(O)	C(CCCH)(CH3)(CNO)(NCH)	N(CCHH)2(CCO)	C(CCCN)(NCC)(O)	C(CCCH)(CH3)(CNO)(NCH)	N(CCHH)2(CCO)	122.1570	0.000	1	122.1570	0.000	1	121.1170	1.177	3	121.0900	0.788	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:3:3:	4:4:3:	C-4:N-3:O-1:	C-4:C-4:C-3:N-3:	C-4:C-4:C-3:	C(CCCN)(NCC)(O)	C(CH3)2(CNO)(NCH)	N(CH3)2(CCO)	C(CCCN)(NCC)(O)	C(CH3)2(CNO)(NCH)	N(CH3)2(CCO)	120.5970	0.856	2	120.5970	0.732	2	121.1170	1.177	3	121.0900	0.788	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:4:3:	3:1:1:	C-4:N-3:O-1:	C-4:C-4:C-4:C-3:	C-3:H-1:H-1:	C(CC3)(NHH)(O)	C(CN[5a]HH)(CH3)2(CNO)	N(CCO)(H)2	C(CC3)(NHH)(O)	C(CN[5a]HH)(CH3)2(CNO)	N(CCO)(H)2	119.3290	0.000	1	119.3290	0.000	1	119.3290	0.000	1	119.3290	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:4:3:	3:2:1:	C-4:N-3:O-1:	C-4:C-4:C-4:C-3:	C-3:O-2:H-1:	C(CC3)(NHO)(O)	C(CH3)3(CNO)	N(CCO)(OC)(H)	C(CC3)(NHO)(O)	C(CH3)3(CNO)	N(CCO)(OC)(H)	116.5680	0.000	1	116.5680	0.000	1	116.5085	0.007	2	116.5085	0.007	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:4:3:	3:2:1:	C-4:N-3:O-1:	C-4:C-4:C-4:C-3:	C-3:O-2:H-1:	C(CC3)(NHO)(O)	C(CHHO)(CH3)2(CNO)	N(CCO)(OC)(H)	C(CC3)(NHO)(O)	C(CHHO)(CH3)2(CNO)	N(CCO)(OC)(H)	116.4490	0.000	1	116.4490	0.000	1	116.5085	0.007	2	116.5085	0.007	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:4:3:	3:3:1:	C-4:N-3:O-1:	C-4:C-4:C-4:C-3:	C-3:C-3:H-1:	C(CC3)(NCH)(O)	C(CH3)3(CNO)	N(CCH)(CCO)(H)	C(CC3)(NCH)(O)	C(CH3)3(CNO)	N(CCH)(CCO)(H)	116.1077	0.300	3	116.1077	0.090	3	116.3419	2.175	22	116.3963	2.020	24	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:4:3:	3:3:1:	C-4:N-3:O-1:	C-4:C-4:C-4:C-3:	C-3:C-3:H-1:	C(CC3)(NCH)(O)	C(CH3)3(CNO)	N(CCO)(CNN)(H)	C(CC3)(NCH)(O)	C(CH3)3(CNO)	N(CCO)(CNN)(H)	116.2740	0.000	1	116.2740	0.000	1	116.3419	2.175	22	116.3963	2.020	24	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:4:3:	3:3:1:	C-4:N-3:O-1:	C-4:C-4:C-4:C-3:	C-3:C-3:H-1:	C(CC3)(NCH)(O)	C(CH3)3(CNO)	N(CCO)(CNS)(H)	C(CC3)(NCH)(O)	C(CH3)3(CNO)	N(CCO)(CNS)(H)	115.9674	1.397	14	115.9674	1.952	14	116.3419	2.175	22	116.3963	2.020	24	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:4:3:	3:3:1:	C-4:N-3:O-1:	C-4:C-4:C-4:C-3:	C-3:C-3:H-1:	C(CC3)(NCH)(O)	C(CH3)3(CNO)	N(CC[6a]C[6])(CCO)(H)	C(CC3)(NCH)(O)	C(CH3)3(CNO)	N(CC[6a]C[6])(CCO)(H)	118.5490	1.225	3	118.5490	1.502	3	116.3419	2.175	22	116.3963	2.020	24	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:4:3:	3:3:1:	C-4:N-3:O-1:	C-4:C-4:C-4:C-3:	C-3:C-3:H-1:	C(CC3)(NCH)(O)	C(CH3)3(CNO)	N(CN[5]S)(CCO)(H)	C(CC3)(NCH)(O)	C(CH3)3(CNO)	N(CN[5]S)(CCO)(H)	115.7340	0.000	1	115.7340	0.000	1	116.3419	2.175	22	116.3963	2.020	24	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:4:3:	3:3:1:	C-4:N-3:O-1:	C-4:C-4:C-4:C-3:	C-3:N-3:H-1:	C(CC3)(NHN)(O)	C(CH3)3(CNO)	N(CCO)(NCH)(H)	C(CC3)(NHN)(O)	C(CH3)3(CNO)	N(CCO)(NCH)(H)	116.9945	0.105	2	116.9945	0.011	2	116.9945	0.011	2	116.3963	2.020	24	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:4:3:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CC3)(NCH)(O)	C(CCHH)(CH3)2(CNO)	N(CCHH)(CCO)(H)	C(CC3)(NCH)(O)	C(CCHH)(CH3)2(CNO)	N(CCHH)(CCO)(H)	117.7073	0.267	7	117.7073	0.071	7	117.7007	0.992	41	117.3833	1.522	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:4:3:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CC3)(NCH)(O)	C(CCHH)(CH3)2(CNO)	N(CH3)(CCO)(H)	C(CC3)(NCH)(O)	C(CCHH)(CH3)2(CNO)	N(CH3)(CCO)(H)	119.3415	0.221	2	119.3415	0.049	2	117.7007	0.992	41	117.3833	1.522	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:4:3:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CC3)(NCH)(O)	C(CCHN)(CH3)2(CNO)	N(CCCH)(CCO)(H)	C(CC3)(NCH)(O)	C(CCHN)(CH3)2(CNO)	N(CCCH)(CCO)(H)	117.3097	0.289	3	117.3097	0.084	3	117.7007	0.992	41	117.3833	1.522	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:4:3:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CC3)(NCH)(O)	C(CC[6a]HN)(CCHH)(CH3)(CNO)	N(CC3)(CCO)(H)	C(CC3)(NCH)(O)	C(CC[6a]HN)(CCHH)(CH3)(CNO)	N(CC3)(CCO)(H)	117.9230	0.000	1	117.9230	0.000	1	117.7007	0.992	41	117.3833	1.522	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:4:3:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CC3)(NCH)(O)	C(CC[6a]HN)(CCHH)(CH3)(CNO)	N(CCCH)(CCO)(H)	C(CC3)(NCH)(O)	C(CC[6a]HN)(CCHH)(CH3)(CNO)	N(CCCH)(CCO)(H)	119.1950	0.000	1	119.1950	0.000	1	117.7007	0.992	41	117.3833	1.522	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:4:3:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CC3)(NCH)(O)	C(CC[6a]HN)(CH3)2(CNO)	N(CCCH)(CCO)(H)	C(CC3)(NCH)(O)	C(CC[6a]HN)(CH3)2(CNO)	N(CCCH)(CCO)(H)	118.0410	1.758	3	118.0410	3.089	3	117.7007	0.992	41	117.3833	1.522	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:4:3:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CC3)(NCH)(O)	C(CClHH)(CH3)2(CNO)	N(CC[6a]HH)(CCO)(H)	C(CC3)(NCH)(O)	C(CClHH)(CH3)2(CNO)	N(CC[6a]HH)(CCO)(H)	117.5270	0.000	1	117.5270	0.000	1	117.7007	0.992	41	117.3833	1.522	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:4:3:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CC3)(NCH)(O)	C(CF3)2(CH3)(CNO)	N(CC[6a]CH)(CCO)(H)	C(CC3)(NCH)(O)	C(CF3)2(CH3)(CNO)	N(CC[6a]CH)(CCO)(H)	116.7800	0.000	1	116.7800	0.000	1	117.7007	0.992	41	117.3833	1.522	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:4:3:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CC3)(NCH)(O)	C(CH3)3(CNO)	N(CC3)(CCO)(H)	C(CC3)(NCH)(O)	C(CH3)3(CNO)	N(CC3)(CCO)(H)	117.9340	0.000	1	117.9340	0.000	1	117.7007	0.992	41	117.3833	1.522	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:4:3:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CC3)(NCH)(O)	C(CH3)3(CNO)	N(CCHH)(CCO)(H)	C(CC3)(NCH)(O)	C(CH3)3(CNO)	N(CCHH)(CCO)(H)	117.9685	0.831	2	117.9685	0.690	2	117.7007	0.992	41	117.3833	1.522	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:4:3:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CC3)(NCH)(O)	C(CH3)3(CNO)	N(CC[5a]CH)(CCO)(H)	C(CC3)(NCH)(O)	C(CH3)3(CNO)	N(CC[5a]CH)(CCO)(H)	117.7285	0.134	2	117.7285	0.018	2	117.7007	0.992	41	117.3833	1.522	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:4:3:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CC3)(NCH)(O)	C(CH3)3(CNO)	N(CC[6]HH)(CCO)(H)	C(CC3)(NCH)(O)	C(CH3)3(CNO)	N(CC[6]HH)(CCO)(H)	115.8490	0.000	1	115.8490	0.000	1	117.7007	0.992	41	117.3833	1.522	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:4:3:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CC3)(NCH)(O)	C(CH3)3(CNO)	N(CC[6a]2H)(CCO)(H)	C(CC3)(NCH)(O)	C(CH3)3(CNO)	N(CC[6a]2H)(CCO)(H)	117.3237	0.889	7	117.3237	0.791	7	117.7007	0.992	41	117.3833	1.522	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:4:3:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CC3)(NCH)(O)	C(CH3)3(CNO)	N(CC[6a]CC)(CCO)(H)	C(CC3)(NCH)(O)	C(CH3)3(CNO)	N(CC[6a]CC)(CCO)(H)	117.0950	0.000	1	117.0950	0.000	1	117.7007	0.992	41	117.3833	1.522	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:4:3:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CC3)(NCH)(O)	C(CH3)3(CNO)	N(CC[6a]CH)(CCO)(H)	C(CC3)(NCH)(O)	C(CH3)3(CNO)	N(CC[6a]CH)(CCO)(H)	118.7287	1.030	4	118.7287	1.061	4	117.7007	0.992	41	117.3833	1.522	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:4:3:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CC3)(NCH)(O)	C(CH3)3(CNO)	N(CC[6a]C[6]H)(CCO)(H)	C(CC3)(NCH)(O)	C(CH3)3(CNO)	N(CC[6a]C[6]H)(CCO)(H)	116.5965	0.200	2	116.5965	0.040	2	117.7007	0.992	41	117.3833	1.522	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:4:3:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CC3)(NCH)(O)	C(CH3)3(CNO)	N(CC[6a]HH)(CCO)(H)	C(CC3)(NCH)(O)	C(CH3)3(CNO)	N(CC[6a]HH)(CCO)(H)	116.9850	1.471	2	116.9850	2.163	2	117.7007	0.992	41	117.3833	1.522	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:4:3:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-4:C-3:	S-4:C-3:H-1:	C(CC3)(NHS)(O)	C(CH3)3(CNO)	N(SC[6a]OO)(CCO)(H)	C(CC3)(NHS)(O)	C(CH3)3(CNO)	N(SC[6a]OO)(CCO)(H)	115.3247	0.604	6	115.3247	0.365	6	115.3247	0.365	6	117.3833	1.522	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:4:3:	4:3:1:	C-4:N-3:O-1:	S-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CCCS)(NCH)(O)	C(SNOO)(CH3)2(CNO)	N(CCHH)(CCO)(H)	C(CCCS)(NCH)(O)	C(SNOO)(CH3)2(CNO)	N(CCHH)(CCO)(H)	116.7230	0.000	1	116.7230	0.000	1	116.7230	0.000	1	117.3833	1.522	48	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:4:3:	4:3:2:	C-4:N-3:O-1:	C-4:C-4:C-4:C-3:	C-4:C-3:O-2:	C(CC3)(NCO)(O)	C(CH3)3(CNO)	N(CCHH)(CCO)(OH)	C(CC3)(NCO)(O)	C(CH3)3(CNO)	N(CCHH)(CCO)(OH)	120.9210	0.000	1	120.9210	0.000	1	120.9210	0.000	1	120.9210	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:4:3:	4:3:3:	C-4:N-3:O-1:	C-4:C-4:C-4:C-3:	C-4:C-3:C-3:	C(CC3)(NCC)(O)	C(CH3)3(CNO)	N(CCHH)(CCO)2	C(CC3)(NCC)(O)	C(CH3)3(CNO)	N(CCHH)(CCO)2	121.6030	0.000	1	121.6030	0.000	1	121.6030	0.000	1	121.6030	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:4:3:	4:4:3:	C-4:N-3:O-1:	C-4:C-4:C-4:C-3:	C-4:C-4:C-3:	C(CC3)(NCC)(O)	C(CCHH)2(CH3)(CNO)	N(CCCH)(CH3)(CCO)	C(CC3)(NCC)(O)	C(CCHH)2(CH3)(CNO)	N(CCCH)(CH3)(CCO)	122.9200	0.000	1	122.9200	0.000	1	122.4640	0.416	2	122.4640	0.416	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	4:4:4:3:	4:4:3:	C-4:N-3:O-1:	C-4:C-4:C-4:C-3:	C-4:C-4:C-3:	C(CC3)(NCC)(O)	C(CH3)3(CNO)	N(CC[6a]HH)(CCHH)(CCO)	C(CC3)(NCC)(O)	C(CH3)3(CNO)	N(CC[6a]HH)(CCHH)(CCO)	122.0080	0.000	1	122.0080	0.000	1	122.4640	0.416	2	122.4640	0.416	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	6:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[5x3,5x5,20x6]-6:C-3:H-1:H-1:	C-3:C-3:H-1:	C(CC[5x3,5x5,20x6]HH)(NCH)(O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CNO)(H)2	N(CCC)(CCO)(H)	C(CC[5x3,5x5,20x6]HH)(NCH)(O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CNO)(H)2	N(CCC)(CCO)(H)	116.1150	0.000	1	116.1150	0.000	1	116.1150	0.000	1	116.1150	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:1:	6:3:1:1:	4:3:1:	C-4:N-3:O-1:	C[5x3,5x5,20x6]-6:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[5x3,5x5,20x6]HH)(NCH)(O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CNO)(H)2	N(CCCH)(CCO)(H)	C(CC[5x3,5x5,20x6]HH)(NCH)(O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CNO)(H)2	N(CCCH)(CCO)(H)	115.7392	1.004	4	115.7392	1.008	4	115.7392	1.008	4	115.7392	1.008	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:1:1:1:	3:1:1:	C-4:N-3:N-2:	C-3:Cl-1:Cl-1:Cl-1:	C-3:H-1:H-1:	C(CCl3)(NHH)(NC)	C(CNN)(Cl)3	N(CCN)(H)2	C(CCl3)(NHH)(NC)	C(CNN)(Cl)3	N(CCN)(H)2	117.5190	0.000	1	117.5190	0.000	1	117.5190	0.000	1	117.9071	8.531	18	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:1:1:1:	3:1:1:	C-4:N-3:N-2:	C-3:H-1:H-1:H-1:	C-3:H-1:H-1:	C(CH3)(NHH)(NH)	C(CNN)(H)3	N(CCN)(H)2	C(CH3)(NHH)(NH)	C(CNN)(H)3	N(CCN)(H)2	119.4080	0.000	1	119.4080	0.000	1	118.5005	1.647	2	117.9071	8.531	18	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:1:1:1:	3:1:1:	C-4:N-3:N-2:	C-3:H-1:H-1:H-1:	C-3:H-1:H-1:	C(CH3)(NHH)(NO)	C(CNN)(H)3	N(CCN)(H)2	C(CH3)(NHH)(NO)	C(CNN)(H)3	N(CCN)(H)2	117.5930	0.000	1	117.5930	0.000	1	118.5005	1.647	2	117.9071	8.531	18	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:1:1:1:	3:1:1:	C-4:N-3:O-2:	C-3:H-1:H-1:H-1:	C-3:H-1:H-1:	C(CH3)(NHH)(OC)	C(CNO)(H)3	N(CCO)(H)2	C(CH3)(NHH)(OC)	C(CNO)(H)3	N(CCO)(H)2	122.1280	0.000	1	122.1280	0.000	1	118.3370	15.040	10	117.9071	8.531	18	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:1:1:1:	3:1:1:	C-4:N-3:O-2:	C-3:H-1:H-1:H-1:	C-3:H-1:H-1:	C(CH3)(NHH)(OCd)	C(CNO)(H)3	N(CCO)(H)2	C(CH3)(NHH)(OCd)	C(CNO)(H)3	N(CCO)(H)2	116.5347	7.323	3	116.5347	53.628	3	118.3370	15.040	10	117.9071	8.531	18	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:1:1:1:	3:1:1:	C-4:N-3:O-2:	C-3:H-1:H-1:H-1:	C-3:H-1:H-1:	C(CH3)(NHH)(OCu)	C(CNO)(H)3	N(CCO)(H)2	C(CH3)(NHH)(OCu)	C(CNO)(H)3	N(CCO)(H)2	117.5130	0.000	1	117.5130	0.000	1	118.3370	15.040	10	117.9071	8.531	18	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:1:1:1:	3:1:1:	C-4:N-3:O-2:	C-3:H-1:H-1:H-1:	C-3:H-1:H-1:	C(CH3)(NHH)(OFe)	C(CNO)(H)3	N(CCO)(H)2	C(CH3)(NHH)(OFe)	C(CNO)(H)3	N(CCO)(H)2	119.3730	0.000	1	119.3730	0.000	1	118.3370	15.040	10	117.9071	8.531	18	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:1:1:1:	3:1:1:	C-4:N-3:O-2:	C-3:H-1:H-1:H-1:	C-3:H-1:H-1:	C(CH3)(NHH)(OZn)	C(CNO)(H)3	N(CCO)(H)2	C(CH3)(NHH)(OZn)	C(CNO)(H)3	N(CCO)(H)2	118.6880	0.761	4	118.6880	0.579	4	118.3370	15.040	10	117.9071	8.531	18	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:1:1:1:	3:1:1:	C-4:N-3:S-2:	C-3:H-1:H-1:H-1:	C-3:H-1:H-1:	C(CH3)(NHH)(SCd)	C(CNS)(H)3	N(CCS)(H)2	C(CH3)(NHH)(SCd)	C(CNS)(H)3	N(CCS)(H)2	116.8910	0.000	1	116.8910	0.000	1	116.8874	0.030	5	117.9071	8.531	18	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:1:1:1:	3:1:1:	C-4:N-3:S-2:	C-3:H-1:H-1:H-1:	C-3:H-1:H-1:	C(CH3)(NHH)(SCu)	C(CNS)(H)3	N(CCS)(H)2	C(CH3)(NHH)(SCu)	C(CNS)(H)3	N(CCS)(H)2	116.8865	0.199	4	116.8865	0.040	4	116.8874	0.030	5	117.9071	8.531	18	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:1:1:1:	3:2:1:	C-4:N-3:N-2:	C-3:F-1:F-1:F-1:	C-3:N-2:H-1:	C(CF3)(NHN)(NO)	C(CNN)(F)3	N(CCN)(NC)(H)	C(CF3)(NHN)(NO)	C(CNN)(F)3	N(CCN)(NC)(H)	119.6140	0.000	1	119.6140	0.000	1	119.6140	0.000	1	119.8525	0.114	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:1:1:1:	3:2:1:	C-4:N-3:O-2:	C-3:H-1:H-1:H-1:	C-3:O-2:H-1:	C(CH3)(NHO)(OSn)	C(CNO)(H)3	N(CCO)(OSn)(H)	C(CH3)(NHO)(OSn)	C(CNO)(H)3	N(CCO)(OSn)(H)	120.0910	0.000	1	120.0910	0.000	1	120.0910	0.000	1	119.8525	0.114	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:1:1:1:	3:3:1:	C-4:N-3:N-2:	C-3:H-1:H-1:H-1:	N-3:C-3:H-1:	C(CH3)(NHN)(NH)	C(CNN)(H)3	N(NC[6a]H)(CCN)(H)	C(CH3)(NHN)(NH)	C(CNN)(H)3	N(NC[6a]H)(CCN)(H)	115.7140	0.000	1	115.7140	0.000	1	115.7140	0.000	1	116.8287	1.948	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:1:1:1:	3:3:1:	C-4:N-3:O-2:	C-3:H-1:H-1:H-1:	C-3:C-3:H-1:	C(CH3)(NCH)(OCa)	C(CNO)(H)3	N(CCO)2(H)	C(CH3)(NCH)(OCa)	C(CNO)(H)3	N(CCO)2(H)	115.0860	0.318	2	115.0860	0.101	2	115.8590	1.843	3	116.8287	1.948	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:1:1:1:	3:3:1:	C-4:N-3:O-2:	C-3:H-1:H-1:H-1:	C-3:C-3:H-1:	C(CH3)(NCH)(OPd)	C(CNO)(H)3	N(CC[6a]C)(CCO)(H)	C(CH3)(NCH)(OPd)	C(CNO)(H)3	N(CC[6a]C)(CCO)(H)	117.4050	0.000	1	117.4050	0.000	1	115.8590	1.843	3	116.8287	1.948	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:1:1:1:	3:3:1:	C-4:N-3:O-2:	C-3:H-1:H-1:H-1:	N-3:C-3:H-1:	C(CH3)(NHN)(OFe)	C(CNO)(H)3	N(NFeC)(CCO)(H)	C(CH3)(NHN)(OFe)	C(CNO)(H)3	N(NFeC)(CCO)(H)	118.2535	0.483	2	118.2535	0.233	2	118.1980	0.126	3	116.8287	1.948	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:1:1:1:	3:3:1:	C-4:N-3:O-2:	C-3:H-1:H-1:H-1:	N-3:C-3:H-1:	C(CH3)(NHN)(ONi)	C(CNO)(H)3	N(NNiC)(CCO)(H)	C(CH3)(NHN)(ONi)	C(CNO)(H)3	N(NNiC)(CCO)(H)	118.0870	0.000	1	118.0870	0.000	1	118.1980	0.126	3	116.8287	1.948	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:1:1:1:	3:3:1:	C-4:N-3:O-2:	C-3:H-1:H-1:H-1:	O-3:C-3:H-1:	C(CH3)(NHO)(ONi)	C(CNO)(H)3	N(ONiH)(CCO)(H)	C(CH3)(NHO)(ONi)	C(CNO)(H)3	N(ONiH)(CCO)(H)	116.7450	0.000	1	116.7450	0.000	1	116.7450	0.000	1	116.8287	1.948	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:1:1:1:	4:3:1:	C-4:N-3:N-2:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(NS)	C(CNN)(H)3	N(CC3)(CCN)(H)	C(CH3)(NCH)(NS)	C(CNN)(H)3	N(CC3)(CCN)(H)	115.1860	0.000	1	115.1860	0.000	1	115.1860	0.000	1	118.9230	7.905	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:1:1:1:	4:3:1:	C-4:N-3:O-2:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(OH)	C(CNO)(H)3	N(CCHH)(CCO)(H)	C(CH3)(NCH)(OH)	C(CNO)(H)3	N(CCHH)(CCO)(H)	121.0895	0.091	2	121.0895	0.008	2	121.0895	0.008	2	118.9230	7.905	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:1:1:1:	4:3:1:	C-4:N-3:O-2:	C-3:H-1:H-1:H-1:	P-4:C-3:H-1:	C(CH3)(NHP)(OMo)	C(CNO)(H)3	N(PC[6a]2Mo)(CCO)(H)	C(CH3)(NHP)(OMo)	C(CNO)(H)3	N(PC[6a]2Mo)(CCO)(H)	118.3270	0.000	1	118.3270	0.000	1	118.3270	0.000	1	118.9230	7.905	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:1:1:1:	4:3:2:	C-4:N-3:O-2:	C-3:H-1:H-1:H-1:	C-4:C-3:O-2:	C(CH3)(NCO)(OFe)	C(CNO)(H)3	N(CCHH)(CCO)(OFe)	C(CH3)(NCO)(OFe)	C(CNO)(H)3	N(CCHH)(CCO)(OFe)	122.1360	0.000	1	122.1360	0.000	1	124.1790	3.161	3	124.1790	3.161	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:1:1:1:	4:3:2:	C-4:N-3:O-2:	C-3:H-1:H-1:H-1:	C-4:C-3:O-2:	C(CH3)(NCO)(OOs)	C(CNO)(H)3	N(CH3)(CCO)(OOs)	C(CH3)(NCO)(OOs)	C(CNO)(H)3	N(CH3)(CCO)(OOs)	125.2005	0.248	2	125.2005	0.062	2	124.1790	3.161	3	124.1790	3.161	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:1:1:1:	4:4:3:	C-4:N-3:N-2:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(NB)	C(CNN)(H)3	N(CH3)2(CCN)	C(CH3)(NCC)(NB)	C(CNN)(H)3	N(CH3)2(CCN)	118.8600	0.000	1	118.8600	0.000	1	119.0417	0.804	6	119.1678	11.090	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:1:1:1:	4:4:3:	C-4:N-3:N-2:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(NC)	C(CNN)(H)3	N(CC[6a]HH)(CH3)(CCN)	C(CH3)(NCC)(NC)	C(CNN)(H)3	N(CC[6a]HH)(CH3)(CCN)	118.8620	0.000	1	118.8620	0.000	1	119.0417	0.804	6	119.1678	11.090	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:1:1:1:	4:4:3:	C-4:N-3:N-2:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(NC)	C(CNN)(H)3	N(CH3)2(CCN)	C(CH3)(NCC)(NC)	C(CNN)(H)3	N(CH3)2(CCN)	118.5697	0.250	3	118.5697	0.063	3	119.0417	0.804	6	119.1678	11.090	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:1:1:1:	4:4:3:	C-4:N-3:N-2:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(NTi)	C(CNN)(H)3	N(CCHH)2(CCN)	C(CH3)(NCC)(NTi)	C(CNN)(H)3	N(CCHH)2(CCN)	120.8190	0.000	1	120.8190	0.000	1	119.0417	0.804	6	119.1678	11.090	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:1:1:1:	4:4:3:	C-4:N-3:O-2:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(OC)	C(CNO)(H)3	N(CH3)2(CCO)	C(CH3)(NCC)(OC)	C(CNO)(H)3	N(CH3)2(CCO)	122.7760	0.638	2	122.7760	0.407	2	119.2076	14.557	19	119.1678	11.090	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:1:1:1:	4:4:3:	C-4:N-3:O-2:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(OCd)	C(CNO)(H)3	N(CH3)2(CCO)	C(CH3)(NCC)(OCd)	C(CNO)(H)3	N(CH3)2(CCO)	119.3110	0.800	2	119.3110	0.641	2	119.2076	14.557	19	119.1678	11.090	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:1:1:1:	4:4:3:	C-4:N-3:O-2:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(OCo)	C(CNO)(H)3	N(CH3)2(CCO)	C(CH3)(NCC)(OCo)	C(CNO)(H)3	N(CH3)2(CCO)	119.1172	0.477	6	119.1172	0.228	6	119.2076	14.557	19	119.1678	11.090	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:1:1:1:	4:4:3:	C-4:N-3:O-2:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(OCu)	C(CNO)(H)3	N(CH3)2(CCO)	C(CH3)(NCC)(OCu)	C(CNO)(H)3	N(CH3)2(CCO)	118.2465	6.310	6	118.2465	39.817	6	119.2076	14.557	19	119.1678	11.090	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:1:1:1:	4:4:3:	C-4:N-3:O-2:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(OH)	C(CNO)(H)3	N(CH3)2(CCO)	C(CH3)(NCC)(OH)	C(CNO)(H)3	N(CH3)2(CCO)	119.0035	5.403	2	119.0035	29.192	2	119.2076	14.557	19	119.1678	11.090	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:1:1:1:	4:4:3:	C-4:N-3:O-2:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(OZn)	C(CNO)(H)3	N(CH3)2(CCO)	C(CH3)(NCC)(OZn)	C(CNO)(H)3	N(CH3)2(CCO)	118.5820	0.000	1	118.5820	0.000	1	119.2076	14.557	19	119.1678	11.090	25	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:3:1:1:	3:1:1:	C-4:N-3:N-2:	C-3:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)(NO)	C(CNN)2(H)2	N(CCN)(H)2	C(CCHH)(NHH)(NO)	C(CNN)2(H)2	N(CCN)(H)2	117.5165	0.217	2	117.5165	0.047	2	117.5165	0.047	2	117.5831	0.682	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:3:1:1:	3:1:1:	C-4:N-3:N-2:	C[6a]-3:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CC[6a]HH)(NHH)(NO)	C(C[6a]C[6a]2)(CNN)(H)2	N(CCN)(H)2	C(CC[6a]HH)(NHH)(NO)	C(C[6a]C[6a]2)(CNN)(H)2	N(CCN)(H)2	118.1905	0.369	4	118.1905	0.136	4	118.1905	0.136	4	117.5831	0.682	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:3:1:1:	3:1:1:	C-4:N-3:O-2:	C-3:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)(OCu)	C(CNO)2(H)2	N(CCO)(H)2	C(CCHH)(NHH)(OCu)	C(CNO)2(H)2	N(CCO)(H)2	116.4350	0.441	2	116.4350	0.195	2	116.4350	0.195	2	117.5831	0.682	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:3:1:1:	3:2:1:	C-4:N-3:O-2:	C[6a]-3:C-3:H-1:H-1:	C-3:O-2:H-1:	C(CC[6a]HH)(NHO)(OMo)	C(C[6a]C[6a]2)(CNO)(H)2	N(CCO)(OMo)(H)	C(CC[6a]HH)(NHO)(OMo)	C(C[6a]C[6a]2)(CNO)(H)2	N(CCO)(OMo)(H)	118.9390	0.000	1	118.9390	0.000	1	118.9390	0.000	1	118.9390	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:3:1:1:	3:3:1:	C-4:N-3:N-2:	C[5a]-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(CC[5a]HH)(NC[6a]H)(NN)	C(C[5a]C[5a,6a]C[5a])(CNN)(H)2	N(C[6a]C[6a]2)(CCN)(H)	C(CC[5a]HH)(NC[6a]H)(NN)	C(C[5a]C[5a,6a]C[5a])(CNN)(H)2	N(C[6a]C[6a]2)(CCN)(H)	118.9470	0.233	2	118.9470	0.054	2	118.9470	0.054	2	116.7833	3.255	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:3:1:1:	3:3:1:	C-4:N-3:O-2:	N[5]-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(CN[5]HH)(NC[6a]H)(ORu)	C(N[5]C[5,6a]C[5])(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(CN[5]HH)(NC[6a]H)(ORu)	C(N[5]C[5,6a]C[5])(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	115.8913	0.934	3	115.8913	0.872	3	115.7015	0.726	4	116.7833	3.255	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:3:1:1:	3:3:1:	C-4:N-3:O-2:	N[5]-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(CN[5]HH)(NC[6a]H)(ORu)	C(N[5]C[5]2)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(CN[5]HH)(NC[6a]H)(ORu)	C(N[5]C[5]2)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	115.1320	0.000	1	115.1320	0.000	1	115.7015	0.726	4	116.7833	3.255	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:3:1:1:	3:3:2:	C-4:N-3:N-2:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C-3:N-2:	C(CC[6a]HH)(NC[6a]N)(NS)	C(C[6a]C[6a]2)(CNN)(H)2	N(C[6a]C[6a]2)(CCN)(NC)	C(CC[6a]HH)(NC[6a]N)(NS)	C(C[6a]C[6a]2)(CNN)(H)2	N(C[6a]C[6a]2)(CCN)(NC)	117.9130	0.000	1	117.9130	0.000	1	117.9130	0.000	1	117.9130	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:3:1:1:	3:3:3:	C-4:N-3:N-2:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C-3:C-3:	C(CC[6a]HH)(NC[6a]C)(NS)	C(C[6a]C[6a]2)(CNN)(H)2	N(C[6a]C[6a]2)(CCN)2	C(CC[6a]HH)(NC[6a]C)(NS)	C(C[6a]C[6a]2)(CNN)(H)2	N(C[6a]C[6a]2)(CCN)2	117.3870	0.000	1	117.3870	0.000	1	117.3870	0.000	1	117.3870	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:3:1:1:	4:4:3:	C-4:N-3:N-2:	C-3:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(NC)	C(CCH)(CNN)(H)2	N(CCHH)2(CCN)	C(CCHH)(NCC)(NC)	C(CCH)(CNN)(H)2	N(CCHH)2(CCN)	119.8820	0.000	1	119.8820	0.000	1	120.4600	0.668	2	119.7733	1.112	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:3:1:1:	4:4:3:	C-4:N-3:N-2:	C-3:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(NC)	C(CCH)(CNN)(H)2	N(CH3)2(CCN)	C(CCHH)(NCC)(NC)	C(CCH)(CNN)(H)2	N(CH3)2(CCN)	121.0380	0.000	1	121.0380	0.000	1	120.4600	0.668	2	119.7733	1.112	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:3:1:1:	4:4:3:	C-4:N-3:N-2:	C[6a]-3:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CC[6a]HH)(NCC)(NO)	C(C[6a]C[6a]2)(CNN)(H)2	N(CH3)2(CCN)	C(CC[6a]HH)(NCC)(NO)	C(C[6a]C[6a]2)(CNN)(H)2	N(CH3)2(CCN)	118.4610	0.000	1	118.4610	0.000	1	119.0865	0.783	2	119.7733	1.112	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:3:1:1:	4:4:3:	C-4:N-3:N-2:	C[6a]-3:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CC[6a]HH)(NCC)(NS)	C(C[6a]C[6a]2)(CNN)(H)2	N(CCCH)2(CCN)	C(CC[6a]HH)(NCC)(NS)	C(C[6a]C[6a]2)(CNN)(H)2	N(CCCH)2(CCN)	119.7120	0.000	1	119.7120	0.000	1	119.0865	0.783	2	119.7733	1.112	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:3:3:1:	3:1:1:	C-4:N-3:N-2:	C-3:N-3:N-3:Br-1:	C-3:H-1:H-1:	C(CBrNN)(NHH)(NBr)	C(CNN)(NOO)2(Br)	N(CCN)(H)2	C(CBrNN)(NHH)(NBr)	C(CNN)(NOO)2(Br)	N(CCN)(H)2	115.8860	0.000	1	115.8860	0.000	1	115.8860	0.000	1	115.7333	0.745	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:3:3:1:	3:1:1:	C-4:N-3:N-2:	C-3:N-3:N-3:Cl-1:	C-3:H-1:H-1:	C(CClNN)(NHH)(NCl)	C(CNN)(NOO)2(Cl)	N(CCN)(H)2	C(CClNN)(NHH)(NCl)	C(CNN)(NOO)2(Cl)	N(CCN)(H)2	116.5100	0.000	1	116.5100	0.000	1	116.5100	0.000	1	115.7333	0.745	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:3:3:1:	3:1:1:	C-4:N-3:N-2:	C-3:N-3:N-3:H-1:	C-3:H-1:H-1:	C(CHNN)(NHH)(NN)	C(CNN)(NOO)2(H)	N(CCN)(H)2	C(CHNN)(NHH)(NN)	C(CNN)(NOO)2(H)	N(CCN)(H)2	114.8040	0.000	1	114.8040	0.000	1	114.8040	0.000	1	115.7333	0.745	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:3:3:1:	3:3:1:	C-4:N-3:N-2:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CC[6a]CH)(NC[6a]H)(NS)	C(C[6a]C[6a]2)(CCN)(CNN)(H)	N(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]CH)(NC[6a]H)(NS)	C(C[6a]C[6a]2)(CCN)(CNN)(H)	N(C[6a]C[6a]2)(CCN)(H)	117.4055	0.730	2	117.4055	0.534	2	117.4055	0.534	2	117.4055	0.534	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:3:3:1:	4:3:1:	C-4:N-3:N-2:	C-3:N-3:N-3:Cl-1:	C-4:C-3:H-1:	C(CClNN)(NCH)(NCl)	C(CNN)(NOO)2(Cl)	N(CH3)(CCN)(H)	C(CClNN)(NCH)(NCl)	C(CNN)(NOO)2(Cl)	N(CH3)(CCN)(H)	119.0860	0.000	1	119.0860	0.000	1	119.0860	0.000	1	116.8950	4.597	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:3:3:1:	4:3:1:	C-4:N-3:O-2:	N[5]-3:N[5]-3:C-3:H-1:	C-4:C-3:H-1:	C(CN[5]2H)(NCH)(OCu)	C(N[5]C[5]N[5])2(CNO)(H)	N(CCHH)(CCO)(H)	C(CN[5]2H)(NCH)(OCu)	C(N[5]C[5]N[5])2(CNO)(H)	N(CCHH)(CCO)(H)	114.8010	0.000	1	114.8010	0.000	1	115.7995	1.994	2	116.8950	4.597	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:3:3:1:	4:3:1:	C-4:N-3:O-2:	N[5]-3:N[5]-3:C-3:H-1:	C-4:C-3:H-1:	C(CN[5]2H)(NCH)(ORe)	C(N[5]C[5]N[5])2(CNO)(H)	N(CCHH)(CCO)(H)	C(CN[5]2H)(NCH)(ORe)	C(N[5]C[5]N[5])2(CNO)(H)	N(CCHH)(CCO)(H)	116.7980	0.000	1	116.7980	0.000	1	115.7995	1.994	2	116.8950	4.597	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:3:3:1:	4:4:3:	C-4:N-3:N-2:	C-3:C-3:C-3:H-1:	S-4:C-4:C-3:	C(CCCH)(NCS)(NS)	C(CC[6a]C[4])(CNN)(COO)(H)	N(SC[6a]OO)(CC[4]HH)(CCN)	C(CCCH)(NCS)(NS)	C(CC[6a]C[4])(CNN)(COO)(H)	N(SC[6a]OO)(CC[4]HH)(CCN)	118.1590	0.000	1	118.1590	0.000	1	118.1590	0.000	1	118.1590	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:3:3:3:	4:3:1:	C-4:N-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C-4:C-3:H-1:	C(CC[6a]3)(NCH)(OCu)	C(C[6a]C[6a]2)3(CNO)	N(CC[6]HH)(CCO)(H)	C(CC[6a]3)(NCH)(OCu)	C(C[6a]C[6a]2)3(CNO)	N(CC[6]HH)(CCO)(H)	117.5590	0.000	1	117.5590	0.000	1	117.5590	0.000	1	117.5590	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:4:3:1:	3:1:1:	C-4:N-3:O-2:	O-3:C-4:C-3:H-1:	C-3:H-1:H-1:	C(CCHO)(NHH)(OMn)	C(OMnH)(CH3)(CNO)(H)	N(CCO)(H)2	C(CCHO)(NHH)(OMn)	C(OMnH)(CH3)(CNO)(H)	N(CCO)(H)2	117.0725	0.900	2	117.0725	0.810	2	117.2513	0.501	3	117.2513	0.501	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:4:3:1:	3:1:1:	C-4:N-3:O-2:	O-3:C-4:C-3:H-1:	C-3:H-1:H-1:	C(CCHO)(NHH)(OZn)	C(OZnH)(CH3)(CNO)(H)	N(CCO)(H)2	C(CCHO)(NHH)(OZn)	C(OZnH)(CH3)(CNO)(H)	N(CCO)(H)2	117.6090	0.000	1	117.6090	0.000	1	117.2513	0.501	3	117.2513	0.501	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:4:4:3:	3:1:1:	C-4:N-3:N-2:	C[6a]-3:C[3]-4:C-4:C-3:	C-3:H-1:H-1:	C(CC[6a]C[3]C)(NHH)(NO)	C(C[6a]C[6a]2)(C[3]C[3]2H)(CH3)(CNN)	N(CCN)(H)2	C(CC[6a]C[3]C)(NHH)(NO)	C(C[6a]C[6a]2)(C[3]C[3]2H)(CH3)(CNN)	N(CCN)(H)2	118.1820	1.852	3	118.1820	3.429	3	118.1820	3.429	3	118.1820	3.429	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	3:4:4:3:	4:3:1:	C-4:N-3:O-2:	C[6a]-3:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CC[6a]CC)(NCH)(OAl)	C(C[6a]C[6a]2)(CC[5a]HH)(CCHH)(CNO)	N(CC3)(CCO)(H)	C(CC[6a]CC)(NCH)(OAl)	C(C[6a]C[6a]2)(CC[5a]HH)(CCHH)(CNO)	N(CC3)(CCO)(H)	119.4220	0.000	1	119.4220	0.000	1	119.4220	0.000	1	119.4220	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	3:1:1:	C-4:N-3:N-2:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)(NO)	C(CCHH)(CNN)(H)2	N(CCN)(H)2	C(CCHH)(NHH)(NO)	C(CCHH)(CNN)(H)2	N(CCN)(H)2	118.1828	1.236	5	118.1828	1.527	5	117.8364	1.381	7	117.6738	1.934	44	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	3:1:1:	C-4:N-3:N-2:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)(NS)	C(CHHS)(CNN)(H)2	N(CCN)(H)2	C(CCHH)(NHH)(NS)	C(CHHS)(CNN)(H)2	N(CCN)(H)2	116.9705	0.281	2	116.9705	0.079	2	117.8364	1.381	7	117.6738	1.934	44	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	3:1:1:	C-4:N-3:N-2:	C-4:C-3:H-1:H-1:	C-3:O-1:O-1:	C(CCHH)(NOO)(NN)	C(CCHH)(CNN)(H)2	N(CCN)(O)2	C(CCHH)(NOO)(NN)	C(CCHH)(CNN)(H)2	N(CCN)(O)2	117.8400	0.000	1	117.8400	0.000	1	117.8400	0.000	1	117.6738	1.934	44	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	3:1:1:	C-4:N-3:O-2:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)(OCr)	C(CHHN)(CNO)(H)2	N(CCO)(H)2	C(CCHH)(NHH)(OCr)	C(CHHN)(CNO)(H)2	N(CCO)(H)2	117.8505	1.216	2	117.8505	1.477	2	117.8181	3.779	15	117.6738	1.934	44	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	3:1:1:	C-4:N-3:O-2:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)(OCu)	C(CHHN)(CNO)(H)2	N(CCO)(H)2	C(CCHH)(NHH)(OCu)	C(CHHN)(CNO)(H)2	N(CCO)(H)2	119.6360	0.000	1	119.6360	0.000	1	117.8181	3.779	15	117.6738	1.934	44	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	3:1:1:	C-4:N-3:O-2:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)(OCu)	C(CN[5]HH)(CNO)(H)2	N(CCO)(H)2	C(CCHH)(NHH)(OCu)	C(CN[5]HH)(CNO)(H)2	N(CCO)(H)2	115.5690	0.761	2	115.5690	0.579	2	117.8181	3.779	15	117.6738	1.934	44	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	3:1:1:	C-4:N-3:O-2:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)(OCu)	C(CN[6]CH)(CNO)(H)2	N(CCO)(H)2	C(CCHH)(NHH)(OCu)	C(CN[6]CH)(CNO)(H)2	N(CCO)(H)2	118.2760	2.750	4	118.2760	7.565	4	117.8181	3.779	15	117.6738	1.934	44	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	3:1:1:	C-4:N-3:O-2:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)(ONi)	C(CHHN)(CNO)(H)2	N(CCO)(H)2	C(CCHH)(NHH)(ONi)	C(CHHN)(CNO)(H)2	N(CCO)(H)2	116.8115	2.792	2	116.8115	7.797	2	117.8181	3.779	15	117.6738	1.934	44	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	3:1:1:	C-4:N-3:O-2:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)(OPd)	C(CC[6a]HH)(CNO)(H)2	N(CCO)(H)2	C(CCHH)(NHH)(OPd)	C(CC[6a]HH)(CNO)(H)2	N(CCO)(H)2	119.3200	0.000	1	119.3200	0.000	1	117.8181	3.779	15	117.6738	1.934	44	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	3:1:1:	C-4:N-3:O-2:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)(OSn)	C(CClHH)(CNO)(H)2	N(CCO)(H)2	C(CCHH)(NHH)(OSn)	C(CClHH)(CNO)(H)2	N(CCO)(H)2	117.8160	0.000	1	117.8160	0.000	1	117.8181	3.779	15	117.6738	1.934	44	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	3:1:1:	C-4:N-3:O-2:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)(OSn)	C(CSnHH)(CNO)(H)2	N(CCO)(H)2	C(CCHH)(NHH)(OSn)	C(CSnHH)(CNO)(H)2	N(CCO)(H)2	118.4670	0.987	2	118.4670	0.974	2	117.8181	3.779	15	117.6738	1.934	44	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	3:1:1:	C-4:N-3:O-2:	N-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CHHN)(NHH)(OCd)	C(NCdCC)(CNO)(H)2	N(CCO)(H)2	C(CHHN)(NHH)(OCd)	C(NCdCC)(CNO)(H)2	N(CCO)(H)2	116.9420	0.000	1	116.9420	0.000	1	117.5087	1.044	21	117.6738	1.934	44	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	3:1:1:	C-4:N-3:O-2:	N-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CHHN)(NHH)(OCo)	C(NCoCC)(CNO)(H)2	N(CCO)(H)2	C(CHHN)(NHH)(OCo)	C(NCoCC)(CNO)(H)2	N(CCO)(H)2	117.6270	0.643	5	117.6270	0.413	5	117.5087	1.044	21	117.6738	1.934	44	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	3:1:1:	C-4:N-3:O-2:	N-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CHHN)(NHH)(OCo)	C(NCoHH)(CNO)(H)2	N(CCO)(H)2	C(CHHN)(NHH)(OCo)	C(NCoHH)(CNO)(H)2	N(CCO)(H)2	117.6557	0.159	3	117.6557	0.025	3	117.5087	1.044	21	117.6738	1.934	44	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	3:1:1:	C-4:N-3:O-2:	N-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CHHN)(NHH)(OCu)	C(NCuHH)(CNO)(H)2	N(CCO)(H)2	C(CHHN)(NHH)(OCu)	C(NCuHH)(CNO)(H)2	N(CCO)(H)2	118.2230	0.000	1	118.2230	0.000	1	117.5087	1.044	21	117.6738	1.934	44	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	3:1:1:	C-4:N-3:O-2:	N-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CHHN)(NHH)(OMn)	C(NMnCC)(CNO)(H)2	N(CCO)(H)2	C(CHHN)(NHH)(OMn)	C(NMnCC)(CNO)(H)2	N(CCO)(H)2	116.8395	0.192	2	116.8395	0.037	2	117.5087	1.044	21	117.6738	1.934	44	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	3:1:1:	C-4:N-3:O-2:	N-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CHHN)(NHH)(ONi)	C(NNiCC)(CNO)(H)2	N(CCO)(H)2	C(CHHN)(NHH)(ONi)	C(NNiCC)(CNO)(H)2	N(CCO)(H)2	116.6660	1.257	5	116.6660	1.580	5	117.5087	1.044	21	117.6738	1.934	44	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	3:1:1:	C-4:N-3:O-2:	N-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CHHN)(NHH)(ONi)	C(NNiHH)(CNO)(H)2	N(CCO)(H)2	C(CHHN)(NHH)(ONi)	C(NNiHH)(CNO)(H)2	N(CCO)(H)2	118.6015	0.937	4	118.6015	0.879	4	117.5087	1.044	21	117.6738	1.934	44	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	3:3:1:	C-4:N-3:O-2:	C-4:C-3:H-1:H-1:	N-3:C-3:H-1:	C(CCHH)(NHN)(OFe)	C(CCHH)(CNO)(H)2	N(NFeC)(CCO)(H)	C(CCHH)(NHN)(OFe)	C(CCHH)(CNO)(H)2	N(NFeC)(CCO)(H)	117.5995	0.260	2	117.5995	0.067	2	116.6230	0.500	9	116.5242	0.542	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	3:3:1:	C-4:N-3:O-2:	C-4:C-3:H-1:H-1:	N-3:C-3:H-1:	C(CCHH)(NHN)(ONi)	C(CCHH)(CNO)(H)2	N(NNiC)(CCO)(H)	C(CCHH)(NHN)(ONi)	C(CCHH)(CNO)(H)2	N(NNiC)(CCO)(H)	116.3574	0.578	5	116.3574	0.334	5	116.6230	0.500	9	116.5242	0.542	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	3:3:1:	C-4:N-3:O-2:	C-4:C-3:H-1:H-1:	N-3:C-3:H-1:	C(CCHH)(NHN)(OZn)	C(CCHH)(CNO)(H)2	N(NZnC)(CCO)(H)	C(CCHH)(NHN)(OZn)	C(CCHH)(CNO)(H)2	N(NZnC)(CCO)(H)	116.3105	0.371	2	116.3105	0.138	2	116.6230	0.500	9	116.5242	0.542	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	3:3:1:	C-4:N-3:O-2:	N[5]-4:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(CN[5]HH)(NC[6a]H)(OMo)	C(N[5]C[5]2Mo)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(CN[5]HH)(NC[6a]H)(OMo)	C(N[5]C[5]2Mo)(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	115.6350	0.000	1	115.6350	0.000	1	115.6350	0.000	1	116.5242	0.542	10	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	4:3:1:	C-4:N-3:O-2:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(OFe)	C(CC[5]2H)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(OFe)	C(CC[5]2H)(CNO)(H)2	N(CCHH)(CCO)(H)	115.7700	0.000	1	115.7700	0.000	1	119.0737	4.901	4	118.7422	2.406	12	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	4:3:1:	C-4:N-3:O-2:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(OFe)	C(CFe2C)(CNO)(H)2	N(CC3)(CCO)(H)	C(CCHH)(NCH)(OFe)	C(CFe2C)(CNO)(H)2	N(CC3)(CCO)(H)	120.4840	0.000	1	120.4840	0.000	1	119.0737	4.901	4	118.7422	2.406	12	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	4:3:1:	C-4:N-3:O-2:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(OTi)	C(CC[5]CC)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CCHH)(NCH)(OTi)	C(CC[5]CC)(CNO)(H)2	N(CCHH)(CCO)(H)	119.9640	0.000	1	119.9640	0.000	1	119.0737	4.901	4	118.7422	2.406	12	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	4:3:1:	C-4:N-3:O-2:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(OTi)	C(CC[5]CC)(CNO)(H)2	N(CC[6a]HH)(CCO)(H)	C(CCHH)(NCH)(OTi)	C(CC[5]CC)(CNO)(H)2	N(CC[6a]HH)(CCO)(H)	120.0770	0.000	1	120.0770	0.000	1	119.0737	4.901	4	118.7422	2.406	12	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	4:3:1:	C-4:N-3:O-2:	C[6]-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CC[6]HH)(NCH)(OTi)	C(C[6]C[5]C[6]2)(CNO)(H)2	N(CC[6a]HH)(CCO)(H)	C(CC[6]HH)(NCH)(OTi)	C(C[6]C[5]C[6]2)(CNO)(H)2	N(CC[6a]HH)(CCO)(H)	119.7930	0.000	1	119.7930	0.000	1	119.7930	0.000	1	118.7422	2.406	12	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	4:3:1:	C-4:N-3:O-2:	N-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(OCd)	C(NCdCC)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(OCd)	C(NCdCC)(CNO)(H)2	N(CCHH)(CCO)(H)	117.2485	0.558	2	117.2485	0.311	2	118.1396	2.048	5	118.7422	2.406	12	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	4:3:1:	C-4:N-3:O-2:	N-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(OCo)	C(NCoCC)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(OCo)	C(NCoCC)(CNO)(H)2	N(CCHH)(CCO)(H)	117.3760	0.000	1	117.3760	0.000	1	118.1396	2.048	5	118.7422	2.406	12	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	4:3:1:	C-4:N-3:O-2:	N-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(OCu)	C(NCuHH)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(OCu)	C(NCuHH)(CNO)(H)2	N(CCHH)(CCO)(H)	118.3010	0.000	1	118.3010	0.000	1	118.1396	2.048	5	118.7422	2.406	12	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	4:3:1:	C-4:N-3:O-2:	N-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(ORe)	C(NReCH)(CNO)(H)2	N(CCHH)(CCO)(H)	C(CHHN)(NCH)(ORe)	C(NReCH)(CNO)(H)2	N(CCHH)(CCO)(H)	120.5240	0.000	1	120.5240	0.000	1	118.1396	2.048	5	118.7422	2.406	12	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	4:3:1:	C-4:N-3:S-2:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(SHg)	C(CCHH)(CNS)(H)2	N(CCHH)(CCS)(H)	C(CCHH)(NCH)(SHg)	C(CCHH)(CNS)(H)2	N(CCHH)(CCS)(H)	119.0605	0.063	2	119.0605	0.004	2	119.0605	0.004	2	118.7422	2.406	12	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	4:3:2:	C-4:N-3:O-2:	C-4:C-3:H-1:H-1:	C-4:C-3:O-2:	C(CCHH)(NCO)(OFe)	C(CCHH)(CNO)(H)2	N(CCHH)(CCO)(OFe)	C(CCHH)(NCO)(OFe)	C(CCHH)(CNO)(H)2	N(CCHH)(CCO)(OFe)	121.4845	0.316	2	121.4845	0.100	2	121.4845	0.100	2	121.4845	0.100	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	4:4:3:	C-4:N-3:N-2:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(NC)	C(CCHH)(CNN)(H)2	N(CLiNN)(CCCH)(CCN)	C(CCHH)(NCC)(NC)	C(CCHH)(CNN)(H)2	N(CLiNN)(CCCH)(CCN)	113.8590	0.000	1	113.8590	0.000	1	113.8590	0.000	1	119.9925	5.934	17	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	4:4:3:	C-4:N-3:O-2:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(OH)	C(CH3)(CNO)(H)2	N(CH3)2(CCO)	C(CCHH)(NCC)(OH)	C(CH3)(CNO)(H)2	N(CH3)2(CCO)	123.7490	0.000	1	123.7490	0.000	1	120.0892	6.664	4	119.9925	5.934	17	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	4:4:3:	C-4:N-3:O-2:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(OMg)	C(CCHH)(CNO)(H)2	N(CH3)2(CCO)	C(CCHH)(NCC)(OMg)	C(CCHH)(CNO)(H)2	N(CH3)2(CCO)	119.3005	1.009	2	119.3005	1.018	2	120.0892	6.664	4	119.9925	5.934	17	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	4:4:3:	C-4:N-3:O-2:	C-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(OU)	C(CCHH)(CNO)(H)2	N(CCHH)2(CCO)	C(CCHH)(NCC)(OU)	C(CCHH)(CNO)(H)2	N(CCHH)2(CCO)	118.0070	0.000	1	118.0070	0.000	1	120.0892	6.664	4	119.9925	5.934	17	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	4:4:3:	C-4:N-3:O-2:	N-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(OCu)	C(NCuCC)(CNO)(H)2	N(CC3)(CH3)(CCO)	C(CHHN)(NCC)(OCu)	C(NCuCC)(CNO)(H)2	N(CC3)(CH3)(CCO)	120.3400	0.000	1	120.3400	0.000	1	120.4714	3.140	12	119.9925	5.934	17	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	4:4:3:	C-4:N-3:O-2:	N-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(OFe)	C(NFeCC)(CNO)(H)2	N(CH3)2(CCO)	C(CHHN)(NCC)(OFe)	C(NFeCC)(CNO)(H)2	N(CH3)2(CCO)	121.1973	0.902	6	121.1973	0.813	6	120.4714	3.140	12	119.9925	5.934	17	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	4:4:3:	C-4:N-3:O-2:	N-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(OPd)	C(NC[6a]PdC)(CNO)(H)2	N(CH3)2(CCO)	C(CHHN)(NCC)(OPd)	C(NC[6a]PdC)(CNO)(H)2	N(CH3)2(CCO)	120.0830	2.553	4	120.0830	6.519	4	120.4714	3.140	12	119.9925	5.934	17	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:1:1:	4:4:3:	C-4:N-3:O-2:	N-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(OPd)	C(NPdCC)(CNO)(H)2	N(CH3)2(CCO)	C(CHHN)(NCC)(OPd)	C(NPdCC)(CNO)(H)2	N(CH3)2(CCO)	117.8010	0.000	1	117.8010	0.000	1	120.4714	3.140	12	119.9925	5.934	17	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:3:2:1:	3:3:1:	C-4:N-3:O-2:	C-4:C-3:O-2:H-1:	N-3:C-3:H-1:	C(CCHO)(NHN)(OCo)	C(CH3)(CNO)(OH)(H)	N(NCoC)(CCO)(H)	C(CCHO)(NHN)(OCo)	C(CH3)(CNO)(OH)(H)	N(NCoC)(CCO)(H)	117.9000	0.943	2	117.9000	0.890	2	117.9000	0.890	2	117.9000	0.890	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:4:3:1:	4:3:1:	C-4:N-3:O-2:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(ONi)	C(CC[6a]HH)(NNiCC)(CNO)(H)	N(CH3)(CCO)(H)	C(CCHN)(NCH)(ONi)	C(CC[6a]HH)(NNiCC)(CNO)(H)	N(CH3)(CCO)(H)	119.5410	0.000	1	119.5410	0.000	1	119.5410	0.000	1	118.7827	1.311	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:4:3:1:	4:3:1:	C-4:N-3:O-2:	N-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(OCo)	C(NCoCC)(CH3)(CNO)(H)	N(CH3)(CCO)(H)	C(CCHN)(NCH)(OCo)	C(NCoCC)(CH3)(CNO)(H)	N(CH3)(CCO)(H)	118.1670	0.000	1	118.1670	0.000	1	118.5300	1.584	3	118.7827	1.311	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:4:3:1:	4:3:1:	C-4:N-3:O-2:	N-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(ONi)	C(NNiCC)(CCHH)(CNO)(H)	N(CH3)(CCO)(H)	C(CCHN)(NCH)(ONi)	C(NNiCC)(CCHH)(CNO)(H)	N(CH3)(CCO)(H)	118.7115	1.723	2	118.7115	2.969	2	118.5300	1.584	3	118.7827	1.311	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:4:4:3:	3:1:1:	C-4:N-3:N-2:	C-4:C-4:C-4:C-3:	C-3:H-1:H-1:	C(CC3)(NHH)(NO)	C(CH3)3(CNN)	N(CCN)(H)2	C(CC3)(NHH)(NO)	C(CH3)3(CNN)	N(CCN)(H)2	118.7500	0.000	1	118.7500	0.000	1	118.7500	0.000	1	118.7500	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:2:	4:4:4:3:	4:3:1:	C-4:N-3:N-2:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CC3)(NCH)(NC)	C(CH3)3(CNN)	N(CC[6a]CH)(CCN)(H)	C(CC3)(NCH)(NC)	C(CH3)3(CNN)	N(CC[6a]CH)(CCN)(H)	115.9480	0.000	1	115.9480	0.000	1	115.9480	0.000	1	115.9480	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:1:	3:1:1:	C-4:C-3:N-3:	C-3:H-1:H-1:H-1:	C-3:H-1:H-1:	C(CH3)(CCH)(NHH)	C(CCN)(H)3	N(CCC)(H)2	C(CH3)(CCH)(NHH)	C(CCN)(H)3	N(CCC)(H)2	116.2035	0.747	2	116.2035	0.559	2	116.1517	0.265	4	119.0867	4.723	89	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:1:	3:1:1:	C-4:C-3:N-3:	C-3:H-1:H-1:H-1:	C-3:H-1:H-1:	C(CH3)(CCN)(NHH)	C(CCN)(H)3	N(CCC)(H)2	C(CH3)(CCN)(NHH)	C(CCN)(H)3	N(CCC)(H)2	116.1000	0.475	2	116.1000	0.226	2	116.1517	0.265	4	119.0867	4.723	89	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:1:	3:1:1:	C-4:C-3:N-3:	C-3:H-1:H-1:H-1:	C-3:O-1:O-1:	C(CH3)(CCH)(NOO)	C(CCN)(H)3	N(CCC)(O)2	C(CH3)(CCH)(NOO)	C(CCN)(H)3	N(CCC)(O)2	113.9135	0.247	2	113.9135	0.061	2	113.9135	0.061	2	119.0867	4.723	89	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:1:	3:1:1:	C-4:N-3:N-3:	C-3:H-1:H-1:H-1:	C-3:H-1:H-1:	C(CH3)(NCC)(NHH)	C(CNN)(H)3	N(CCN)(H)2	C(CH3)(NCC)(NHH)	C(CNN)(H)3	N(CCN)(H)2	118.0925	0.057	2	118.0925	0.003	2	119.3528	3.914	83	119.0867	4.723	89	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:1:	3:1:1:	C-4:N-3:N-3:	C-3:H-1:H-1:H-1:	C-3:H-1:H-1:	C(CH3)(NHH)2	C(CNN)(H)3	N(CCN)(H)2	C(CH3)(NHH)2	C(CNN)(H)3	N(CCN)(H)2	119.3839	1.993	81	119.3839	3.971	81	119.3528	3.914	83	119.0867	4.723	89	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:1:	3:2:1:	C-4:C-3:N-3:	C-3:H-1:H-1:H-1:	C-3:N-2:H-1:	C(CH3)(CCH)(NHN)	C(CCN)(H)3	N(CCC)(NC)(H)	C(CH3)(CCH)(NHN)	C(CCN)(H)3	N(CCC)(NC)(H)	118.0730	0.000	1	118.0730	0.000	1	118.0730	0.000	1	118.0730	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:1:	3:3:1:	C-4:C-3:N-3:	C-3:H-1:H-1:H-1:	C-3:C-3:H-1:	C(CH3)(CCH)(NCH)	C(CCN)(H)3	N(CCC)(CCO)(H)	C(CH3)(CCH)(NCH)	C(CCN)(H)3	N(CCC)(CCO)(H)	111.3810	1.049	2	111.3810	1.101	2	110.6630	2.097	3	115.1095	14.283	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:1:	3:3:1:	C-4:C-3:N-3:	C-3:H-1:H-1:H-1:	C-3:C-3:H-1:	C(CH3)(COO)(NCH)	C(CCN)(H)3	N(CCC)(CCO)(H)	C(CH3)(COO)(NCH)	C(CCN)(H)3	N(CCC)(CCO)(H)	109.2270	0.000	1	109.2270	0.000	1	110.6630	2.097	3	115.1095	14.283	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:1:	3:3:1:	C-4:C-3:N-3:	C-3:H-1:H-1:H-1:	C-3:N-3:H-1:	C(CH3)(CCH)(NHN)	C(CCN)(H)3	N(CCC)(NCH)(H)	C(CH3)(CCH)(NHN)	C(CCN)(H)3	N(CCC)(NCH)(H)	118.2290	0.042	2	118.2290	0.002	2	118.2290	0.002	2	115.1095	14.283	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:1:	3:3:1:	C-4:C-3:N-3:	C-3:H-1:H-1:H-1:	C-3:P-3:H-1:	C(CH3)(CCH)(NHP)	C(CCN)(H)3	N(CCC)(PCC)(H)	C(CH3)(CCH)(NHP)	C(CCN)(H)3	N(CCC)(PCC)(H)	117.8380	0.000	1	117.8380	0.000	1	117.8380	0.000	1	115.1095	14.283	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:1:	3:3:1:	C-4:C-3:N-3:	C-3:H-1:H-1:H-1:	N-3:C-3:H-1:	C(CH3)(CCH)(NHN)	C(CCN)(H)3	N(NC[6a]2)(CCC)(H)	C(CH3)(CCH)(NHN)	C(CCN)(H)3	N(NC[6a]2)(CCC)(H)	117.3600	0.000	1	117.3600	0.000	1	117.2955	0.008	2	115.1095	14.283	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:1:	3:3:1:	C-4:C-3:N-3:	C-3:H-1:H-1:H-1:	N-3:C-3:H-1:	C(CH3)(CCH)(NHN)	C(CCN)(H)3	N(NC[6a]C)(CCC)(H)	C(CH3)(CCH)(NHN)	C(CCN)(H)3	N(NC[6a]C)(CCC)(H)	117.2310	0.000	1	117.2310	0.000	1	117.2955	0.008	2	115.1095	14.283	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:1:	3:3:3:	C-4:C-3:N-3:	C-3:H-1:H-1:H-1:	C-3:C-3:C-3:	C(CH3)(CCS)(NCC)	C(CCN)(H)3	N(CCC)(CCO)(CHH)	C(CH3)(CCS)(NCC)	C(CCN)(H)3	N(CCC)(CCO)(CHH)	115.4170	0.000	1	115.4170	0.000	1	115.4170	0.000	1	115.4170	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:1:	4:3:1:	C-4:C-3:N-3:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(CCC)(NCH)	C(CCN)(H)3	N(CCHH)(CCC)(H)	C(CH3)(CCC)(NCH)	C(CCN)(H)3	N(CCHH)(CCC)(H)	117.7457	0.579	3	117.7457	0.335	3	117.6361	2.690	50	117.7427	2.783	53	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:1:	4:3:1:	C-4:C-3:N-3:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(CCC)(NCH)	C(CCN)(H)3	N(CC[6a]CH)(CCC)(H)	C(CH3)(CCC)(NCH)	C(CCN)(H)3	N(CC[6a]CH)(CCC)(H)	118.1840	0.000	1	118.1840	0.000	1	117.6361	2.690	50	117.7427	2.783	53	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:1:	4:3:1:	C-4:C-3:N-3:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(CCC)(NCH)	C(CCN)(H)3	N(CC[6a]HH)(CCC)(H)	C(CH3)(CCC)(NCH)	C(CCN)(H)3	N(CC[6a]HH)(CCC)(H)	116.7177	0.708	6	116.7177	0.501	6	117.6361	2.690	50	117.7427	2.783	53	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:1:	4:3:1:	C-4:C-3:N-3:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(CCH)(NCH)	C(CCN)(H)3	N(CC3)(CCC)(H)	C(CH3)(CCH)(NCH)	C(CCN)(H)3	N(CC3)(CCC)(H)	120.7050	0.000	1	120.7050	0.000	1	117.6361	2.690	50	117.7427	2.783	53	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:1:	4:3:1:	C-4:C-3:N-3:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(CCH)(NCH)	C(CCN)(H)3	N(CCCH)(CCC)(H)	C(CH3)(CCH)(NCH)	C(CCN)(H)3	N(CCCH)(CCC)(H)	119.0152	1.162	4	119.0152	1.350	4	117.6361	2.690	50	117.7427	2.783	53	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:1:	4:3:1:	C-4:C-3:N-3:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(CCH)(NCH)	C(CCN)(H)3	N(CCHH)(CCC)(H)	C(CH3)(CCH)(NCH)	C(CCN)(H)3	N(CCHH)(CCC)(H)	117.4277	1.778	20	117.4277	3.161	20	117.6361	2.690	50	117.7427	2.783	53	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:1:	4:3:1:	C-4:C-3:N-3:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(CCH)(NCH)	C(CCN)(H)3	N(CC[6a]2H)(CCC)(H)	C(CH3)(CCH)(NCH)	C(CCN)(H)3	N(CC[6a]2H)(CCC)(H)	118.7880	0.000	1	118.7880	0.000	1	117.6361	2.690	50	117.7427	2.783	53	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:1:	4:3:1:	C-4:C-3:N-3:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(CCH)(NCH)	C(CCN)(H)3	N(CC[6a]CH)(CCC)(H)	C(CH3)(CCH)(NCH)	C(CCN)(H)3	N(CC[6a]CH)(CCC)(H)	118.2540	0.626	2	118.2540	0.392	2	117.6361	2.690	50	117.7427	2.783	53	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:1:	4:3:1:	C-4:C-3:N-3:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(CCH)(NCH)	C(CCN)(H)3	N(CC[6a]HH)(CCC)(H)	C(CH3)(CCH)(NCH)	C(CCN)(H)3	N(CC[6a]HH)(CCC)(H)	118.1915	0.590	6	118.1915	0.348	6	117.6361	2.690	50	117.7427	2.783	53	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:1:	4:3:1:	C-4:C-3:N-3:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(CCH)(NCH)	C(CCN)(H)3	N(CH3)(CCC)(H)	C(CH3)(CCH)(NCH)	C(CCN)(H)3	N(CH3)(CCC)(H)	118.5840	0.055	2	118.5840	0.003	2	117.6361	2.690	50	117.7427	2.783	53	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:1:	4:3:1:	C-4:C-3:N-3:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(CCS)(NCH)	C(CCN)(H)3	N(CCHH)(CCC)(H)	C(CH3)(CCS)(NCH)	C(CCN)(H)3	N(CCHH)(CCC)(H)	117.9680	0.461	2	117.9680	0.213	2	117.6361	2.690	50	117.7427	2.783	53	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:1:	4:3:1:	C-4:C-3:N-3:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(CHP)(NCH)	C(CCN)(H)3	N(CC3)(CCC)(H)	C(CH3)(CHP)(NCH)	C(CCN)(H)3	N(CC3)(CCC)(H)	113.6030	0.628	2	113.6030	0.394	2	117.6361	2.690	50	117.7427	2.783	53	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:1:	4:3:1:	C-4:N-3:N-3:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCC)(NCH)	C(CNN)(H)3	N(CCHH)(CCN)(H)	C(CH3)(NCC)(NCH)	C(CNN)(H)3	N(CCHH)(CCN)(H)	119.9710	0.000	1	119.9710	0.000	1	119.5203	1.436	3	117.7427	2.783	53	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:1:	4:3:1:	C-4:N-3:N-3:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)2	C(CNN)(H)3	N(CCCH)(CCN)(H)	C(CH3)(NCH)2	C(CNN)(H)3	N(CCCH)(CCN)(H)	119.2950	1.602	2	119.2950	2.567	2	119.5203	1.436	3	117.7427	2.783	53	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:1:	4:3:3:	C-4:C-3:N-3:	C-3:H-1:H-1:H-1:	C-4:C-3:C-3:	C(CH3)(CCS)(NCC)	C(CCN)(H)3	N(CH3)(CCC)(CCO)	C(CH3)(CCS)(NCC)	C(CCN)(H)3	N(CH3)(CCC)(CCO)	114.8750	0.000	1	114.8750	0.000	1	115.2905	0.345	2	116.8017	7.024	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:1:	4:3:3:	C-4:C-3:N-3:	C-3:H-1:H-1:H-1:	C-4:C-3:C-3:	C(CH3)(CHH)(NCC)	C(CCN)(H)3	N(CCHH)(CCC)(CCO)	C(CH3)(CHH)(NCC)	C(CCN)(H)3	N(CCHH)(CCC)(CCO)	115.7060	0.000	1	115.7060	0.000	1	115.2905	0.345	2	116.8017	7.024	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:1:	4:3:3:	C-4:N-3:N-3:	C-3:H-1:H-1:H-1:	C-4:C-3:C-3:	C(CH3)(NCC)(NCH)	C(CNN)(H)3	N(CCHH)(CClC)(CCN)	C(CH3)(NCC)(NCH)	C(CNN)(H)3	N(CCHH)(CClC)(CCN)	119.8240	0.000	1	119.8240	0.000	1	119.8240	0.000	1	116.8017	7.024	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:1:	4:4:3:	C-4:C-3:N-3:	C-3:F-1:F-1:F-1:	C-4:S-4:C-3:	C(CF3)(CCH)(NCS)	C(CCN)(F)3	N(CC[6a]CH)(SC[6a]OO)(CCC)	C(CF3)(CCH)(NCS)	C(CCN)(F)3	N(CC[6a]CH)(SC[6a]OO)(CCC)	115.2387	1.003	3	115.2387	1.007	3	115.2387	1.007	3	117.0400	4.727	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:1:	4:4:3:	C-4:C-3:N-3:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(CCH)(NCC)	C(CCN)(H)3	N(CH3)2(CCC)	C(CH3)(CCH)(NCC)	C(CCN)(H)3	N(CH3)2(CCC)	117.6630	0.000	1	117.6630	0.000	1	117.6630	0.000	1	117.0400	4.727	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:1:	4:4:3:	C-4:N-3:N-3:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(NHH)	C(CNN)(H)3	N(CH3)2(CCN)	C(CH3)(NCC)(NHH)	C(CNN)(H)3	N(CH3)2(CCN)	119.4305	0.261	2	119.4305	0.068	2	119.4305	0.068	2	117.0400	4.727	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:2:1:1:	4:4:3:	C-4:N-3:N-3:	C-3:S-2:H-1:H-1:	C-4:C-4:C-3:	C(CHHS)(NCC)2	C(CNN)(SC)(H)2	N(CCHH)2(CCN)	C(CHHS)(NCC)2	C(CNN)(SC)(H)2	N(CCHH)2(CCN)	118.7085	3.314	2	118.7085	10.984	2	118.7085	10.984	2	118.7085	10.984	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:3:1:1:	3:1:1:	C-4:C-3:N-3:	C-3:C-3:H-1:H-1:	C-3:O-1:O-1:	C(CCHH)(CCH)(NOO)	C(CCN)(CNN)(H)2	N(CCC)(O)2	C(CCHH)(CCH)(NOO)	C(CCN)(CNN)(H)2	N(CCC)(O)2	117.3130	0.000	1	117.3130	0.000	1	117.3130	0.000	1	117.4152	5.378	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:3:1:1:	3:1:1:	C-4:C-3:N-3:	C-3:N-3:H-1:H-1:	C-3:H-1:H-1:	C(CHHN)(CCC)(NHH)	C(CCN)(NCS)(H)2	N(CCC)(H)2	C(CHHN)(CCC)(NHH)	C(CCN)(NCS)(H)2	N(CCC)(H)2	114.8190	0.000	1	114.8190	0.000	1	114.8190	0.000	1	117.4152	5.378	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:3:1:1:	3:1:1:	C-4:C-3:N-3:	C[6a]-3:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CC[6a]HH)(CCH)(NHH)	C(C[6a]C[6a]N[6a])(CCN)(H)2	N(CCC)(H)2	C(CC[6a]HH)(CCH)(NHH)	C(C[6a]C[6a]N[6a])(CCN)(H)2	N(CCC)(H)2	115.4420	0.000	1	115.4420	0.000	1	115.4510	0.039	3	117.4152	5.378	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:3:1:1:	3:1:1:	C-4:C-3:N-3:	C[6a]-3:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CC[6a]HH)(CC[6a]C)(NHH)	C(C[6a]C[6a]2)(CCN)(H)2	N(CCC)(H)2	C(CC[6a]HH)(CC[6a]C)(NHH)	C(C[6a]C[6a]2)(CCN)(H)2	N(CCC)(H)2	115.2590	0.000	1	115.2590	0.000	1	115.4510	0.039	3	117.4152	5.378	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:3:1:1:	3:1:1:	C-4:C-3:N-3:	C[6a]-3:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CC[6a]HH)(CC[6a]C)(NHH)	C(C[6a]C[6a]N[6a])(CCN)(H)2	N(CCC)(H)2	C(CC[6a]HH)(CC[6a]C)(NHH)	C(C[6a]C[6a]N[6a])(CCN)(H)2	N(CCC)(H)2	115.6520	0.000	1	115.6520	0.000	1	115.4510	0.039	3	117.4152	5.378	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:3:1:1:	3:1:1:	C-4:N-3:N-3:	N-3:C-3:H-1:H-1:	C-3:O-1:O-1:	C(CHHN)(NOO)2	C(NC[5a]H)(CNN)(H)2	N(CCN)(O)2	C(CHHN)(NOO)2	C(NC[5a]H)(CNN)(H)2	N(CCN)(O)2	119.5630	1.434	4	119.5630	2.056	4	119.5630	2.056	4	117.4152	5.378	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:3:1:1:	3:2:1:	C-4:N-3:N-3:	C[5a]-3:C-3:H-1:H-1:	C-3:N-2:H-1:	C(CC[5a]HH)(NC[6a]H)(NHN)	C(C[5a]C[5a,6a]C[5a])(CNN)(H)2	N(CCN)(NC)(H)	C(CC[5a]HH)(NC[6a]H)(NHN)	C(C[5a]C[5a,6a]C[5a])(CNN)(H)2	N(CCN)(NC)(H)	117.3550	0.000	1	117.3550	0.000	1	117.3550	0.000	1	117.3550	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:3:1:1:	3:3:1:	C-4:N-3:C-3:	C[6a]-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(CC[6a]HH)(NC[6a]H)(CCH)	C(C[6a]C[6a]2)(CCN)(H)2	N(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]HH)(NC[6a]H)(CCH)	C(C[6a]C[6a]2)(CCN)(H)2	N(C[6a]C[6a]2)(CCC)(H)	118.6380	1.092	3	118.6380	1.192	3	118.6380	1.192	3	117.9651	2.450	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:3:1:1:	3:3:1:	C-4:N-3:N-3:	C[5a]-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(CC[5a]HH)(NC[6a]H)(NCuC)	C(C[5a]C[5a,6a]C[5a])(CNN)(H)2	N(C[6a]C[6a]2)(CCN)(H)	C(CC[5a]HH)(NC[6a]H)(NCuC)	C(C[5a]C[5a,6a]C[5a])(CNN)(H)2	N(C[6a]C[6a]2)(CCN)(H)	117.5725	0.148	2	117.5725	0.022	2	118.1970	3.289	4	117.9651	2.450	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:3:1:1:	3:3:1:	C-4:N-3:N-3:	C[5a]-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(CC[5a]HH)(NC[6a]H)(NHN)	C(C[5a]C[5a,6a]C[5a])(CNN)(H)2	N(C[6a]C[6a]2)(CCN)(H)	C(CC[5a]HH)(NC[6a]H)(NHN)	C(C[5a]C[5a,6a]C[5a])(CNN)(H)2	N(C[6a]C[6a]2)(CCN)(H)	120.8570	0.000	1	120.8570	0.000	1	118.1970	3.289	4	117.9651	2.450	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:3:1:1:	3:3:1:	C-4:N-3:N-3:	C[5a]-3:C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(CC[5a]HH)(NC[6a]H)(NRuC)	C(C[5a]C[5a,6a]C[5a])(CNN)(H)2	N(C[6a]C[6a]2)(CCN)(H)	C(CC[5a]HH)(NC[6a]H)(NRuC)	C(C[5a]C[5a,6a]C[5a])(CNN)(H)2	N(C[6a]C[6a]2)(CCN)(H)	116.7860	0.000	1	116.7860	0.000	1	118.1970	3.289	4	117.9651	2.450	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:3:1:1:	3:3:1:	C-4:N-3:N-3:	C[5a]-3:C-3:H-1:H-1:	N-3:C-3:H-1:	C(CC[5a]HH)(NC[6a]Os)(NHN)	C(C[5a]C[5a,6a]C[5a])(CNN)(H)2	N(NOsC)(CCN)(H)	C(CC[5a]HH)(NC[6a]Os)(NHN)	C(C[5a]C[5a,6a]C[5a])(CNN)(H)2	N(NOsC)(CCN)(H)	117.3380	0.000	1	117.3380	0.000	1	116.4920	1.431	2	117.9651	2.450	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:3:1:1:	3:3:1:	C-4:N-3:N-3:	C[5a]-3:C-3:H-1:H-1:	N-3:C-3:H-1:	C(CC[5a]HH)(NC[6a]Ru)(NHN)	C(C[5a]C[5a,6a]C[5a])(CNN)(H)2	N(NRuC)(CCN)(H)	C(CC[5a]HH)(NC[6a]Ru)(NHN)	C(C[5a]C[5a,6a]C[5a])(CNN)(H)2	N(NRuC)(CCN)(H)	115.6460	0.000	1	115.6460	0.000	1	116.4920	1.431	2	117.9651	2.450	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:3:1:1:	4:3:1:	C-4:C-3:N-3:	C-3:C-3:H-1:H-1:	C-4:C-3:O-1:	C(CCHH)(COO)(NCO)	C(CCN)(COO)(H)2	N(CCCH)(CCC)(O)	C(CCHH)(COO)(NCO)	C(CCN)(COO)(H)2	N(CCCH)(CCC)(O)	115.1010	0.000	1	115.1010	0.000	1	116.5636	0.991	5	116.4772	0.838	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:3:1:1:	4:3:1:	C-4:C-3:N-3:	C-3:C-3:H-1:H-1:	C-4:C-3:O-1:	C(CCHH)(COO)(NCO)	C(CCN)(COO)(H)2	N(CC[6a]CH)(CCC)(O)	C(CCHH)(COO)(NCO)	C(CCN)(COO)(H)2	N(CC[6a]CH)(CCC)(O)	116.9292	0.656	4	116.9292	0.431	4	116.5636	0.991	5	116.4772	0.838	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:3:1:1:	4:3:1:	C-4:N-3:N-3:	C[6a]-3:C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C(CC[6a]HH)(NC[6]Mg)(NC[6]H)	C(C[6a]C[6a]2)(CNN)(H)2	N(C[6]C[6]2H)(CCN)(H)	C(CC[6a]HH)(NC[6]Mg)(NC[6]H)	C(C[6a]C[6a]2)(CNN)(H)2	N(C[6]C[6]2H)(CCN)(H)	116.0450	0.000	1	116.0450	0.000	1	116.0450	0.000	1	116.4772	0.838	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:3:1:1:	4:3:3:	C-4:C-3:N-3:	N-3:C-3:H-1:H-1:	C-4:C-3:C-3:	C(CHHN)(CHH)(NCC)	C(NC[6a]S)(CCN)(H)2	N(CC[6a]HH)(CC[6a]O)(CCC)	C(CHHN)(CHH)(NCC)	C(NC[6a]S)(CCN)(H)2	N(CC[6a]HH)(CC[6a]O)(CCC)	115.2240	0.000	1	115.2240	0.000	1	115.2240	0.000	1	115.2240	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:3:1:1:	4:4:3:	C-4:C-3:N-3:	N[5a]-3:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CN[5a]HH)(CCH)(NCC)	C(N[5a]C[5a]N[5a])(CCN)(H)2	N(CCHH)2(CCC)	C(CN[5a]HH)(CCH)(NCC)	C(N[5a]C[5a]N[5a])(CCN)(H)2	N(CCHH)2(CCC)	118.9960	0.000	1	118.9960	0.000	1	118.9960	0.000	1	119.1254	2.585	5	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:3:1:1:	4:4:3:	C-4:N-3:N-3:	C-3:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)2	C(CNN)2(H)2	N(CH3)2(CCN)	C(CCHH)(NCC)2	C(CNN)2(H)2	N(CH3)2(CCN)	119.1577	1.855	4	119.1577	3.440	4	119.1577	3.440	4	119.1254	2.585	5	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:3:3:1:	3:1:1:	C-4:N-3:N-3:	C-3:N-3:N-3:H-1:	C-3:H-1:H-1:	C(CHNN)(NHH)2	C(CNN)(NOO)2(H)	N(CCN)(H)2	C(CHNN)(NHH)2	C(CNN)(NOO)2(H)	N(CCN)(H)2	118.1020	3.230	2	118.1020	10.433	2	118.1020	10.433	2	118.1020	10.433	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:3:3:1:	3:3:1:	C-4:C-3:N-3:	C[5a]-3:C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5a]C[6a]H)(CC[6a]H)(NCH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCN)(H)	N(CCC)(CCO)(H)	C(CC[5a]C[6a]H)(CC[6a]H)(NCH)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCN)(H)	N(CCC)(CCO)(H)	116.0660	0.000	1	116.0660	0.000	1	116.0660	0.000	1	116.3670	0.181	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:3:3:1:	3:3:1:	C-4:N-3:C-3:	C[6a]-3:C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CC[6a]CH)(NC[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCN)(H)	N(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]CH)(NC[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCN)(H)	N(C[6a]C[6a]2)(CCC)(H)	116.6680	0.000	1	116.6680	0.000	1	116.6680	0.000	1	116.3670	0.181	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:3:3:2:	3:1:1:	C-4:N-3:N-3:	C[6a]-3:C-3:C-3:O-2:	C-3:H-1:H-1:	C(CC[6a]CO)(NHH)2	C(C[6a]C[6a]2)(CCH)(CNN)(OH)	N(CCN)(H)2	C(CC[6a]CO)(NHH)2	C(C[6a]C[6a]2)(CCH)(CNN)(OH)	N(CCN)(H)2	119.2710	1.447	2	119.2710	2.093	2	119.2710	2.093	2	119.2710	2.093	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:3:3:3:	3:1:1:	C-4:N-3:N-3:	C-3:N-3:N-3:N-3:	C-3:H-1:H-1:	C(CN3)(NHH)2	C(CNN)(NOO)3	N(CCN)(H)2	C(CN3)(NHH)2	C(CNN)(NOO)3	N(CCN)(H)2	117.9750	0.874	2	117.9750	0.764	2	117.9750	0.764	2	118.0703	0.597	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:3:3:3:	3:1:1:	C-4:N-3:N-3:	C[5]-3:C-3:N-3:N-3:	C-3:H-1:H-1:	C(CC[5]NN)(NHH)2	C(C[5]N[5]2)(CNN)(NOO)2	N(CCN)(H)2	C(CC[5]NN)(NHH)2	C(C[5]N[5]2)(CNN)(NOO)2	N(CCN)(H)2	118.1655	0.995	2	118.1655	0.990	2	118.1655	0.990	2	118.0703	0.597	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:4:3:1:	3:1:1:	C-4:C-3:N-3:	C[5a]-3:C-4:C-3:H-1:	C-3:O-1:O-1:	C(CC[5a]CH)(CC[5a]H)(NOO)	C(C[5a]C[5a]O[5a])(CHHN)(CCN)(H)	N(CCC)(O)2	C(CC[5a]CH)(CC[5a]H)(NOO)	C(C[5a]C[5a]O[5a])(CHHN)(CCN)(H)	N(CCC)(O)2	117.1235	1.022	2	117.1235	1.044	2	117.1235	1.044	2	117.2048	5.135	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:4:3:1:	3:1:1:	C-4:C-3:N-3:	C[6a]-3:C-4:C-3:H-1:	C-3:O-1:O-1:	C(CC[6a]CH)(CCH)(NOO)	C(C[6a]C[6a]2)(CCCH)(CCN)(H)	N(CCC)(O)2	C(CC[6a]CH)(CCH)(NOO)	C(C[6a]C[6a]2)(CCCH)(CCN)(H)	N(CCC)(O)2	114.3490	0.000	1	114.3490	0.000	1	116.4547	8.553	3	117.2048	5.135	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:4:3:1:	3:1:1:	C-4:C-3:N-3:	C[6a]-3:C-4:C-3:H-1:	C-3:O-1:O-1:	C(CC[6a]CH)(CHH)(NOO)	C(C[6a]C[6a]2)(CC[6a]CH)(CCN)(H)	N(CCC)(O)2	C(CC[6a]CH)(CHH)(NOO)	C(C[6a]C[6a]2)(CC[6a]CH)(CCN)(H)	N(CCC)(O)2	115.2210	0.000	1	115.2210	0.000	1	116.4547	8.553	3	117.2048	5.135	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:4:3:1:	3:1:1:	C-4:C-3:N-3:	C[6a]-3:C-4:C-3:H-1:	C-3:O-1:O-1:	C(CC[6a]CH)(CNN)(NOO)	C(C[6a]C[6a]2)(CCHH)(CCN)(H)	N(CCC)(O)2	C(CC[6a]CH)(CNN)(NOO)	C(C[6a]C[6a]2)(CCHH)(CCN)(H)	N(CCC)(O)2	119.7940	0.000	1	119.7940	0.000	1	116.4547	8.553	3	117.2048	5.135	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:4:3:1:	3:1:1:	C-4:C-3:N-3:	C[6a]-3:P-4:C-3:H-1:	C-3:O-1:O-1:	C(CC[6a]HP)(CC[6a]O)(NOO)	C(C[6a]C[6a]2)(PC3)(CCN)(H)	N(CCC)(O)2	C(CC[6a]HP)(CC[6a]O)(NOO)	C(C[6a]C[6a]2)(PC3)(CCN)(H)	N(CCC)(O)2	119.6180	0.000	1	119.6180	0.000	1	119.6180	0.000	1	117.2048	5.135	6	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:4:3:2:	3:1:1:	C-4:N-3:N-3:	C[6a]-3:C-4:C-3:O-2:	C-3:H-1:H-1:	C(CC[6a]CO)(NHH)2	C(C[6a]C[6a]2)(CH3)(CNN)(OH)	N(CCN)(H)2	C(CC[6a]CO)(NHH)2	C(C[6a]C[6a]2)(CH3)(CNN)(OH)	N(CCN)(H)2	119.6210	2.990	2	119.6210	8.938	2	119.6210	8.938	2	119.6210	8.938	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	4:3:1:1:	3:1:1:	C-4:C-3:N-3:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(CCC)(NHH)	C(CH3)(CCN)(H)2	N(CCC)(H)2	C(CCHH)(CCC)(NHH)	C(CH3)(CCN)(H)2	N(CCC)(H)2	114.4590	0.000	1	114.4590	0.000	1	114.4590	0.000	1	118.4546	3.016	38	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	4:3:1:1:	3:1:1:	C-4:C-3:N-3:	C-4:C-3:H-1:H-1:	C-3:O-1:O-1:	C(CCHH)(CCH)(NOO)	C(CCHH)(CCN)(H)2	N(CCC)(O)2	C(CCHH)(CCH)(NOO)	C(CCHH)(CCN)(H)2	N(CCC)(O)2	115.6320	0.000	1	115.6320	0.000	1	114.7123	0.746	3	118.4546	3.016	38	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	4:3:1:1:	3:1:1:	C-4:C-3:N-3:	C-4:C-3:H-1:H-1:	C-3:O-1:O-1:	C(CCHH)(CCH)(NOO)	C(CHSS)(CCN)(H)2	N(CCC)(O)2	C(CCHH)(CCH)(NOO)	C(CHSS)(CCN)(H)2	N(CCC)(O)2	114.2525	0.472	2	114.2525	0.222	2	114.7123	0.746	3	118.4546	3.016	38	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	4:3:1:1:	3:1:1:	C-4:N-3:N-3:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)2	C(CCHH)(CNN)(H)2	N(CCN)(H)2	C(CCHH)(NHH)2	C(CCHH)(CNN)(H)2	N(CCN)(H)2	119.1173	1.117	27	119.1173	1.249	27	118.9023	1.373	34	118.4546	3.016	38	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	4:3:1:1:	3:1:1:	C-4:N-3:N-3:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)2	C(CH3)(CNN)(H)2	N(CCN)(H)2	C(CCHH)(NHH)2	C(CH3)(CNN)(H)2	N(CCN)(H)2	119.3280	0.086	2	119.3280	0.007	2	118.9023	1.373	34	118.4546	3.016	38	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	4:3:1:1:	3:1:1:	C-4:N-3:N-3:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NPtH)(NHH)	C(CH3)(CNN)(H)2	N(CCN)(H)2	C(CCHH)(NPtH)(NHH)	C(CH3)(CNN)(H)2	N(CCN)(H)2	117.1373	0.689	3	117.1373	0.474	3	118.9023	1.373	34	118.4546	3.016	38	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	4:3:1:1:	3:1:1:	C-4:N-3:N-3:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NZnO)(NHH)	C(CH3)(CNN)(H)2	N(CCN)(H)2	C(CCHH)(NZnO)(NHH)	C(CH3)(CNN)(H)2	N(CCN)(H)2	118.2210	0.136	2	118.2210	0.018	2	118.9023	1.373	34	118.4546	3.016	38	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	4:3:1:1:	3:3:1:	C-4:C-3:N-3:	C-4:C-3:H-1:H-1:	C-3:C-3:H-1:	C(CCHH)(CCC)(NCH)	C(CCHH)(CCN)(H)2	N(CCC)(CNO)(H)	C(CCHH)(CCC)(NCH)	C(CCHH)(CCN)(H)2	N(CCC)(CNO)(H)	111.4170	1.100	2	111.4170	1.211	2	111.5493	0.812	4	113.9909	10.074	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	4:3:1:1:	3:3:1:	C-4:C-3:N-3:	C-4:C-3:H-1:H-1:	C-3:C-3:H-1:	C(CCHH)(CCH)(NCH)	C(CCCO)(CCN)(H)2	N(CCC)(CCO)(H)	C(CCHH)(CCH)(NCH)	C(CCCO)(CCN)(H)2	N(CCC)(CCO)(H)	112.4420	0.000	1	112.4420	0.000	1	111.5493	0.812	4	113.9909	10.074	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	4:3:1:1:	3:3:1:	C-4:C-3:N-3:	C-4:C-3:H-1:H-1:	C-3:C-3:H-1:	C(CCHH)(CCH)(NCH)	C(CCHH)(CCN)(H)2	N(CCC)(CCO)(H)	C(CCHH)(CCH)(NCH)	C(CCHH)(CCN)(H)2	N(CCC)(CCO)(H)	110.9210	0.000	1	110.9210	0.000	1	111.5493	0.812	4	113.9909	10.074	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	4:3:1:1:	3:3:1:	C-4:N-3:N-3:	C-4:C-3:H-1:H-1:	C-3:C-3:H-1:	C(CCHH)(NPtH)(NCH)	C(CH3)(CNN)(H)2	N(CCN)(CCO)(H)	C(CCHH)(NPtH)(NCH)	C(CH3)(CNN)(H)2	N(CCN)(CCO)(H)	121.1250	0.000	1	121.1250	0.000	1	115.9442	8.807	5	113.9909	10.074	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	4:3:1:1:	3:3:1:	C-4:N-3:N-3:	C-4:C-3:H-1:H-1:	C-3:C-3:H-1:	C(CCHH)(NPtH)(NCH)	C(CH3)(CNN)(H)2	N(CCN)2(H)	C(CCHH)(NPtH)(NCH)	C(CH3)(CNN)(H)2	N(CCN)2(H)	114.6490	0.748	4	114.6490	0.559	4	115.9442	8.807	5	113.9909	10.074	9	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	4:3:1:1:	3:4:3:	C-4:C-3:N-3:	C-4:C-3:H-1:H-1:	B-3:C-4:C-3:	C(CCHH)(CRhC)(NBC)	C(CH3)(CCN)(H)2	N(BC[6a]Rh)(CC3)(CCC)	C(CCHH)(CRhC)(NBC)	C(CH3)(CCN)(H)2	N(BC[6a]Rh)(CC3)(CCC)	122.1460	0.000	1	122.1460	0.000	1	122.1460	0.000	1	122.1460	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	4:3:1:1:	4:3:1:	C-4:C-3:N-3:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CCH)(NCH)	C(CCHH)(CCN)(H)2	N(CCCH)(CCC)(H)	C(CCHH)(CCH)(NCH)	C(CCHH)(CCN)(H)2	N(CCCH)(CCC)(H)	120.5140	0.000	1	120.5140	0.000	1	118.7185	1.517	4	119.3489	1.666	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	4:3:1:1:	4:3:1:	C-4:C-3:N-3:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(CCH)(NCH)	C(CCHH)(CCN)(H)2	N(CCHH)(CCC)(H)	C(CCHH)(CCH)(NCH)	C(CCHH)(CCN)(H)2	N(CCHH)(CCC)(H)	118.1200	0.355	3	118.1200	0.126	3	118.7185	1.517	4	119.3489	1.666	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	4:3:1:1:	4:3:1:	C-4:N-3:N-3:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NPtH)(NCH)	C(CH3)(CNN)(H)2	N(CCCH)(CCN)(H)	C(CCHH)(NPtH)(NCH)	C(CH3)(CNN)(H)2	N(CCCH)(CCN)(H)	119.1100	0.315	2	119.1100	0.099	2	119.9793	1.311	4	119.3489	1.666	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	4:3:1:1:	4:3:1:	C-4:N-3:N-3:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NPtH)(NCH)	C(CH3)(CNN)(H)2	N(CCHH)(CCN)(H)	C(CCHH)(NPtH)(NCH)	C(CH3)(CNN)(H)2	N(CCHH)(CCN)(H)	120.8485	0.900	2	120.8485	0.810	2	119.9793	1.311	4	119.3489	1.666	8	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	4:3:1:1:	4:3:3:	C-4:C-3:N-3:	C-4:C-3:H-1:H-1:	S-4:C-3:C-3:	C(CCHH)(CHH)(NCS)	C(CCHH)(CCN)(H)2	N(SC[6a]OO)(CCC)(CCO)	C(CCHH)(CHH)(NCS)	C(CCHH)(CCN)(H)2	N(SC[6a]OO)(CCC)(CCO)	116.0990	0.000	1	116.0990	0.000	1	116.0990	0.000	1	116.0990	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	4:3:1:1:	4:4:3:	C-4:N-3:N-3:	C-4:C-3:H-1:H-1:	B-4:C-4:C-3:	C(CCHH)(NMgC)(NBC)	C(CCHH)(CNN)(H)2	N(BC[6a]MgN)(CC3)(CCN)	C(CCHH)(NMgC)(NBC)	C(CCHH)(CNN)(H)2	N(BC[6a]MgN)(CC3)(CCN)	116.1400	0.000	1	116.1400	0.000	1	116.1400	0.000	1	116.1400	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	4:3:2:1:	3:2:2:	C-4:C-3:N-3:	C-4:C-3:O-2:H-1:	C-3:O-2:O-2:	C(CCHO)(CHH)(NOO)	C(CCCH)(CCN)(OSi)(H)	N(CCC)(OSi)2	C(CCHO)(CHH)(NOO)	C(CCCH)(CCN)(OSi)(H)	N(CCC)(OSi)2	111.1740	0.000	1	111.1740	0.000	1	111.1740	0.000	1	111.1740	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	4:4:3:1:	4:3:1:	C-4:C-3:N-3:	C-4:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(CCH)(NCH)	C(CH3)2(CCN)(H)	N(CC[6a]CH)(CCC)(H)	C(CCCH)(CCH)(NCH)	C(CH3)2(CCN)(H)	N(CC[6a]CH)(CCC)(H)	119.0520	0.000	1	119.0520	0.000	1	119.0520	0.000	1	119.0520	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	4:4:4:3:	3:1:1:	C-4:C-3:N-3:	C-4:C-4:C-4:C-3:	C-3:H-1:H-1:	C(CC3)(CCH)(NHH)	C(CH3)3(CCN)	N(CCC)(H)2	C(CC3)(CCH)(NHH)	C(CH3)3(CCN)	N(CCC)(H)2	115.7440	0.000	1	115.7440	0.000	1	115.7440	0.000	1	118.4940	15.125	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	4:4:4:3:	3:1:1:	C-4:N-3:N-3:	C-4:C-4:C-4:C-3:	C-3:H-1:H-1:	C(CC3)(NHH)(NHO)	C(CH3)3(CNN)	N(CCN)(H)2	C(CC3)(NHH)(NHO)	C(CH3)3(CNN)	N(CCN)(H)2	121.2440	0.000	1	121.2440	0.000	1	121.2440	0.000	1	118.4940	15.125	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	4:4:4:3:	3:2:1:	C-4:N-3:N-3:	C-4:C-4:C-4:C-3:	C-3:O-2:H-1:	C(CC3)(NHH)(NHO)	C(CH3)3(CNN)	N(CCN)(OH)(H)	C(CC3)(NHH)(NHO)	C(CH3)3(CNN)	N(CCN)(OH)(H)	119.9290	0.000	1	119.9290	0.000	1	119.9290	0.000	1	119.9290	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	4:4:4:3:	3:3:1:	C-4:C-3:N-3:	C-4:C-4:C-4:C-3:	C-3:C-3:H-1:	C(CC3)(COO)(NCH)	C(CH3)3(CCN)	N(CCC)(CCO)(H)	C(CC3)(COO)(NCH)	C(CH3)3(CCN)	N(CCC)(CCO)(H)	113.3180	0.000	1	113.3180	0.000	1	113.3180	0.000	1	115.0793	2.422	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	4:4:4:3:	3:3:1:	C-4:C-3:N-3:	C-4:C-4:C-4:C-3:	N-3:C-3:H-1:	C(CC3)(CHP)(NHN)	C(CH3)3(CCN)	N(NPdC)(CCC)(H)	C(CC3)(CHP)(NHN)	C(CH3)3(CCN)	N(NPdC)(CCC)(H)	115.9600	0.437	2	115.9600	0.191	2	115.9600	0.191	2	115.0793	2.422	3	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	4:4:4:3:	4:3:1:	C-4:N-3:N-3:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CC3)(NCH)2	C(CH3)3(CNN)	N(CC[6a]CH)(CCN)(H)	C(CC3)(NCH)2	C(CH3)3(CNN)	N(CC[6a]CH)(CCN)(H)	117.6650	2.031	2	117.6650	4.124	2	117.6650	4.124	2	117.6650	4.124	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	4:4:4:3:	4:3:3:	C-4:C-3:N-3:	C-4:C-4:C-4:C-3:	C-4:C-3:C-3:	C(CC3)(CCH)(NCC)	C(CH3)3(CCN)	N(CC[6a]HH)(CCC)(CCO)	C(CC3)(CCH)(NCC)	C(CH3)3(CCN)	N(CC[6a]HH)(CCC)(CCO)	117.3180	0.000	1	117.3180	0.000	1	117.3180	0.000	1	117.3180	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:4:3:	3:1:1:1:	3:1:1:	C[6]-4:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:H-1:O-1:	C(C[6]C[5,6]C[6]H)(CH3)(NHO)	C(CC[6]N)(H)3	N(CC[6]C)(H)(O)	C(C[6]C[5,6]C[6]H)(CH3)(NHO)	C(CC[6]N)(H)3	N(CC[6]C)(H)(O)	126.3360	0.000	1	126.3360	0.000	1	126.3360	0.000	1	126.3360	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:4:3:	3:1:1:1:	3:2:1:	C-4:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:N-2:O-1:	C(CH3)2(NNO)	C(CCN)(H)3	N(CCC)(NC)(O)	C(CH3)2(NNO)	C(CCN)(H)3	N(CCC)(NC)(O)	111.3355	2.975	2	111.3355	8.849	2	111.3355	8.849	2	115.2712	26.602	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:4:3:	3:1:1:1:	3:2:1:	C-4:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:O-2:H-1:	C(CH3)2(NHO)	C(CCN)(H)3	N(CCC)(OH)(H)	C(CH3)2(NHO)	C(CCN)(H)3	N(CCC)(OH)(H)	119.2070	3.000	2	119.2070	8.997	2	119.2070	8.997	2	115.2712	26.602	4	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:4:3:	3:1:1:1:	3:3:1:	C[5]-4:C-4:N-3:	C-3:H-1:H-1:H-1:	C-3:N-3:H-1:	C(C[5]C[5]2Fe)(CH3)(NHN)	C(CC[5]N)(H)3	N(CC[5]C)(NSnC)(H)	C(C[5]C[5]2Fe)(CH3)(NHN)	C(CC[5]N)(H)3	N(CC[5]C)(NSnC)(H)	119.6520	0.000	1	119.6520	0.000	1	119.6520	0.000	1	119.6520	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:4:3:	3:1:1:1:	4:3:1:	C-4:C-4:N-3:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CCSW)(CH3)(NCH)	C(CCN)(H)3	N(CH3)(CCC)(H)	C(CCSW)(CH3)(NCH)	C(CCN)(H)3	N(CH3)(CCC)(H)	118.0410	0.000	1	118.0410	0.000	1	120.4607	3.852	7	120.1360	5.639	11	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:4:3:	3:1:1:1:	4:3:1:	C-4:C-4:N-3:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)2(NCH)	C(CCN)(H)3	N(CCHH)(CCC)(H)	C(CH3)2(NCH)	C(CCN)(H)3	N(CCHH)(CCC)(H)	120.2410	2.629	2	120.2410	6.912	2	120.4607	3.852	7	120.1360	5.639	11	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:4:3:	3:1:1:1:	4:3:1:	C-4:C-4:N-3:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)2(NCH)	C(CCN)(H)3	N(CC[5x3,5x5,20x6]HH)(CCC)(H)	C(CH3)2(NCH)	C(CCN)(H)3	N(CC[5x3,5x5,20x6]HH)(CCC)(H)	121.1755	1.654	4	121.1755	2.736	4	120.4607	3.852	7	120.1360	5.639	11	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:4:3:	3:1:1:1:	4:3:1:	C-4:C-4:N-3:	C-3:H-1:H-1:H-1:	C-4:C-3:O-1:	C(CH3)2(NCO)	C(CCN)(H)3	N(CCHH)(CCC)(O)	C(CH3)2(NCO)	C(CCN)(H)3	N(CCHH)(CCC)(O)	120.5705	2.996	2	120.5705	8.976	2	119.5677	10.417	4	120.1360	5.639	11	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:4:3:	3:1:1:1:	4:3:1:	C-4:C-4:N-3:	C-3:H-1:H-1:H-1:	C-4:C-3:O-1:	C(CH3)2(NCO)	C(CCN)(H)3	N(CH3)(CCC)(O)	C(CH3)2(NCO)	C(CCN)(H)3	N(CH3)(CCC)(O)	118.5650	4.272	2	118.5650	18.253	2	119.5677	10.417	4	120.1360	5.639	11	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:4:3:	4:3:1:1:	3:2:2:	C-4:C-4:N-3:	C-4:C-3:H-1:H-1:	C-3:S-2:S-2:	C(CCHH)2(NSS)	C(CH3)(CCN)(H)2	N(CCC)(SIr)2	C(CCHH)2(NSS)	C(CH3)(CCN)(H)2	N(CCC)(SIr)2	121.3400	0.461	2	121.3400	0.213	2	121.3400	0.213	2	121.3400	0.213	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:4:3:	4:3:1:1:	4:3:1:	C-4:C-4:N-3:	B-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CBHH)(CC3)(NCH)	C(BC[6a]3)(CCN)(H)2	N(CC[6a]HH)(CCC)(H)	C(CBHH)(CC3)(NCH)	C(BC[6a]3)(CCN)(H)2	N(CC[6a]HH)(CCC)(H)	119.5300	0.000	1	119.5300	0.000	1	119.5300	0.000	1	119.5300	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:4:3:	4:4:4:3:	3:1:1:	C-4:C-4:N-3:	C-4:C-4:C-4:C-3:	C-3:H-1:H-1:	C(CC3)2(NHH)	C(CC[5]CC)(CH3)2(CCN)	N(CCC)(H)2	C(CC3)2(NHH)	C(CC[5]CC)(CH3)2(CCN)	N(CCC)(H)2	116.5560	0.000	1	116.5560	0.000	1	115.5070	2.201	2	115.5070	2.201	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:4:3:	4:4:4:3:	3:1:1:	C-4:C-4:N-3:	C-4:C-4:C-4:C-3:	C-3:H-1:H-1:	C(CC3)2(NHH)	C(CH3)3(CCN)	N(CCC)(H)2	C(CC3)2(NHH)	C(CH3)3(CCN)	N(CCC)(H)2	114.4580	0.000	1	114.4580	0.000	1	115.5070	2.201	2	115.5070	2.201	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:4:3:	4:4:4:3:	4:3:1:	C-4:C-4:N-3:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CBHH)(CC3)(NCH)	C(CH3)3(CCN)	N(CC[6a]HH)(CCC)(H)	C(CBHH)(CC3)(NCH)	C(CH3)3(CCN)	N(CC[6a]HH)(CCC)(H)	117.2280	0.000	1	117.2280	0.000	1	117.2345	0.000	2	117.2345	0.000	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:4:3:	4:4:4:3:	4:3:1:	C-4:C-4:N-3:	C-4:C-4:C-4:C-3:	C-4:C-3:H-1:	C(CC[6a]PdH)(CC3)(NCH)	C(CC[6a]HP)(CH3)2(CCN)	N(CCCH)(CCC)(H)	C(CC[6a]PdH)(CC3)(NCH)	C(CC[6a]HP)(CH3)2(CCN)	N(CCCH)(CCC)(H)	117.2410	0.000	1	117.2410	0.000	1	117.2345	0.000	2	117.2345	0.000	2	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	4:5:3:	3:3:1:1:	3:1:1:	C-4:N-5:N-3:	C[6a]-3:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CC[6a]HH)(NHOUU)(NHH)	C(C[6a]C[6a]2)(CNN)(H)2	N(CCN)(H)2	C(CC[6a]HH)(NHOUU)(NHH)	C(C[6a]C[6a]2)(CNN)(H)2	N(CCN)(H)2	120.8170	0.000	1	120.8170	0.000	1	120.8170	0.000	1	120.8170	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP2_SP3	C	C	N	6:4:3:	4:4:4:3:	4:4:3:	P-6:C-4:N-3:	C-4:C-4:C-4:C-3:	C-4:C-4:C-3:	C(PF5)(CC3)(NCC)	C(CH3)3(CNP)	N(CH3)2(CCP)	C(PF5)(CC3)(NCC)	C(CH3)3(CNP)	N(CH3)2(CCP)	117.6740	0.000	1	117.6740	0.000	1	117.6740	0.000	1	117.6740	0.000	1	116.3529	4.685	7715	116.3529	4.685	7715
930	490	956	0:SP2_SP3_SP3	C	C	N	2:4:3:	4:4:4:3:	3:1:1:	N-2:C-4:N-3:	C-4:C-4:C-4:C-3:	C-3:H-1:H-1:	C(NC[6a])(CC3)(NHH)	C(CH3)3(CNN)	N(CCN)(H)2	C(NC[6a])(CC3)(NHH)	C(CH3)3(CNN)	N(CCN)(H)2	116.4030	0.000	1	116.4030	0.000	1	116.4030	0.000	1	116.4030	0.000	1	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	3:2:4:	4:4:4:3:	4:3:1:	N-3:N-2:C-4:	C-4:C-4:C-4:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(NC[6a])(CC3)	C(CH3)3(CNN)	N(C[6]C[6]2H)(CCN)(H)	C(NC[6]H)(NC[6a])(CC3)	C(CH3)3(CNN)	N(C[6]C[6]2H)(CCN)(H)	112.9050	0.000	1	112.9050	0.000	1	112.9050	0.000	1	112.9050	0.000	1	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	3:4:1:	3:1:1:1:	3:2:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:O-2:C-3:	C(NC[6a]O)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(OC[6])(CCO)	C(NC[6a]O)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]2)(OC[6])(CCO)	118.1635	1.644	2	118.1635	2.703	2	118.1635	2.703	2	118.1635	2.703	2	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[5,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[5,6a]C[6a])(CCO)(H)	114.1120	0.000	1	114.1120	0.000	1	114.1635	0.005	2	114.1635	0.005	2	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CH3)(O)	C(CNO)(H)3	N(C[6a]C[6a]N[6a])(CCO)(H)	114.2150	0.000	1	114.2150	0.000	1	114.1635	0.005	2	114.1635	0.005	2	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	3:4:1:	3:1:1:1:	3:3:3:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	N[6a]-3:C-3:C-3:	C(NN[6a]C)(CH3)(O)	C(CNO)(H)3	N(N[6a]C[6a]2)(CC[6a]O)(CCO)	C(NN[6a]C)(CH3)(O)	C(CNO)(H)3	N(N[6a]C[6a]2)(CC[6a]O)(CCO)	118.4160	0.000	1	118.4160	0.000	1	118.4160	0.000	1	118.4160	0.000	1	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	3:4:1:	3:1:1:1:	4:3:2:	N-3:C-4:O-1:	C-3:H-1:H-1:H-1:	C[5]-4:C-3:O-2:	C(NC[5]O)(CH3)(O)	C(CNO)(H)3	N(C[5]C[5]2C)(CCO)(OH)	C(NC[5]O)(CH3)(O)	C(CNO)(H)3	N(C[5]C[5]2C)(CCO)(OH)	117.7860	0.000	1	117.7860	0.000	1	117.7860	0.000	1	117.7860	0.000	1	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	3:4:1:	3:3:1:1:	3:3:1:	N-3:C-4:O-1:	C-3:N-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHN)(O)	C(CNO)(NCH)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHN)(O)	C(CNO)(NCH)(H)2	N(C[6a]C[6a]2)(CCO)(H)	116.4100	0.000	1	116.4100	0.000	1	116.4100	0.000	1	116.4100	0.000	1	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	3:4:1:	4:3:1:1:	3:4:3:	N-3:C-4:O-1:	C-4:C-3:H-1:H-1:	C[5a]-3:S-4:C-3:	C(NC[5a]S)(CCHH)(O)	C(CC[6a]CC)(CNO)(H)2	N(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(CCO)	C(NC[5a]S)(CCHH)(O)	C(CC[6a]CC)(CNO)(H)2	N(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(CCO)	116.5320	0.000	1	116.5320	0.000	1	116.5320	0.000	1	116.5320	0.000	1	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	3:4:1:	4:3:2:1:	3:3:3:	N-3:C-4:O-1:	C-4:C-3:O-2:H-1:	N[6a]-3:C-3:C-3:	C(NN[6a]C)(CCHO)(O)	C(CH3)(CNO)(OC)(H)	N(N[6a]C[6a]2)(CCO)2	C(NN[6a]C)(CCHO)(O)	C(CH3)(CNO)(OC)(H)	N(N[6a]C[6a]2)(CCO)2	117.7370	1.242	2	117.7370	1.542	2	117.7370	1.542	2	117.7370	1.542	2	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	3:4:1:	4:4:4:3:	3:3:3:	N-3:C-4:O-1:	C-4:C-4:C-4:C-3:	C[5a]-3:C-3:C-3:	C(NC[5a]C)(CC3)(O)	C(CH3)3(CNO)	N(C[5a]C[5a,6a]C[5a])(CC[6a]O)(CCO)	C(NC[5a]C)(CC3)(O)	C(CH3)3(CNO)	N(C[5a]C[5a,6a]C[5a])(CC[6a]O)(CCO)	120.0230	0.000	1	120.0230	0.000	1	120.0230	0.000	1	120.0230	0.000	1	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	3:4:3:	3:1:1:1:	4:3:1:	C-3:C-4:N-3:	C-3:Cl-1:H-1:H-1:	S-4:C-3:H-1:	C(CC[6a]Cl)(CClHH)(NHS)	C(CCN)(Cl)(H)2	N(SC[6a]OO)(CCC)(H)	C(CC[6a]Cl)(CClHH)(NHS)	C(CCN)(Cl)(H)2	N(SC[6a]OO)(CCC)(H)	117.3430	0.000	1	117.3430	0.000	1	117.3430	0.000	1	117.3430	0.000	1	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	3:4:3:	3:2:1:1:	4:3:4:	C[6a]-3:C-4:N-3:	C-3:O-2:H-1:H-1:	C-4:C-3:C-4:	C(C[6a]C[6a]2)(CHHO)(NCC)	C(CC[6a]N)(OH)(H)2	N(CC[6a]HH)(CC[6a]C)(CH3)	C(C[6a]C[6a]2)(CHHO)(NCC)	C(CC[6a]N)(OH)(H)2	N(CC[6a]HH)(CC[6a]C)(CH3)	109.2790	0.000	1	109.2790	0.000	1	109.2790	0.000	1	109.2790	0.000	1	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	3:4:3:	3:3:1:1:	3:4:3:	N-3:C-4:C-3:	N-3:C-3:H-1:H-1:	C[6a]-3:S-4:C-3:	C(NC[6a]S)(CHHN)(CHH)	C(NC[6a]S)(CCN)(H)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCC)	C(NC[6a]S)(CHHN)(CHH)	C(NC[6a]S)(CCN)(H)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCC)	116.9150	0.000	1	116.9150	0.000	1	116.9150	0.000	1	116.9150	0.000	1	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	3:1:1:1:	3:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	N-3:C-3:H-1:	C(CH3)(NHN)(O)	C(CNO)(H)3	N(NC[6a]H)(CCO)(H)	C(CH3)(NHN)(O)	C(CNO)(H)3	N(NC[6a]H)(CCO)(H)	115.0860	0.000	1	115.0860	0.000	1	115.0860	0.000	1	115.0860	0.000	1	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:Cl-1:Cl-1:Cl-1:	C-4:C-3:H-1:	C(CCl3)(NCH)(O)	C(CNO)(Cl)3	N(CCCH)(CCO)(H)	C(CCl3)(NCH)(O)	C(CNO)(Cl)3	N(CCCH)(CCO)(H)	115.9960	0.000	1	115.9960	0.000	1	115.9960	0.000	1	115.6575	0.229	2	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CCHH)(CCO)(H)	C(CH3)(NCH)(O)	C(CNO)(H)3	N(CCHH)(CCO)(H)	115.3190	0.000	1	115.3190	0.000	1	115.3190	0.000	1	115.6575	0.229	2	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	3:1:1:1:	4:3:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-3:C-3:	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC3)(CCO)(CNO)	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CC3)(CCO)(CNO)	117.4710	0.000	1	117.4710	0.000	1	117.4710	0.000	1	117.4710	0.000	1	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	3:1:1:1:	4:4:3:	C-4:N-3:H-1:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(H)	C(CHN)(H)3	N(CC[6a]HH)(CCHH)(CCH)	C(CH3)(NCC)(H)	C(CHN)(H)3	N(CC[6a]HH)(CCHH)(CCH)	116.0420	0.000	1	116.0420	0.000	1	116.0420	0.000	1	117.2545	2.940	2	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	3:1:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:H-1:H-1:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CCHH)2(CCO)	C(CH3)(NCC)(O)	C(CNO)(H)3	N(CCHH)2(CCO)	118.4670	0.000	1	118.4670	0.000	1	118.4670	0.000	1	117.2545	2.940	2	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	3:3:1:1:	3:1:1:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-3:H-1:H-1:	C(CHHN)(NHH)(O)	C(CNO)(NCN)(H)2	N(CCO)(H)2	C(CHHN)(NHH)(O)	C(CNO)(NCN)(H)2	N(CCO)(H)2	116.8620	0.000	1	116.8620	0.000	1	116.8620	0.000	1	116.8620	0.000	1	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	3:3:1:1:	3:4:3:	C-4:N-3:O-1:	C[6a]-3:C-3:H-1:H-1:	C[5a]-3:S-4:C-3:	C(CC[6a]HH)(NC[5a]S)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCO)	C(CC[6a]HH)(NC[5a]S)(O)	C(C[6a]C[6a]2)(CNO)(H)2	N(C[5a]C[5a]N[5a])(SC[6a]OO)(CCO)	115.7020	0.000	1	115.7020	0.000	1	115.7020	0.000	1	115.7020	0.000	1	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-4:C-3:H-1:	C(CHHN)(NCH)(O)	C(CNO)(NCH)(H)2	N(CCCH)(CCO)(H)	C(CHHN)(NCH)(O)	C(CNO)(NCH)(H)2	N(CCCH)(CCO)(H)	117.8780	0.000	1	117.8780	0.000	1	117.8780	0.000	1	117.8780	0.000	1	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	3:3:1:1:	4:3:2:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-4:C-3:O-2:	C(CHHN)(NCO)(O)	C(CNO)(NCS)(H)2	N(CCHH)(CCO)(OC)	C(CHHN)(NCO)(O)	C(CNO)(NCS)(H)2	N(CCHH)(CCO)(OC)	118.1800	0.000	1	118.1800	0.000	1	118.1800	0.000	1	118.1800	0.000	1	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	3:3:1:1:	4:4:3:	C-4:N-3:O-1:	C-3:N-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(O)	C(CNO)(NCC)(H)2	N(CC[6a]HH)(CCHH)(CCO)	C(CHHN)(NCC)(O)	C(CNO)(NCC)(H)2	N(CC[6a]HH)(CCHH)(CCO)	116.0600	0.000	1	116.0600	0.000	1	116.0600	0.000	1	116.0600	0.000	1	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	3:4:3:1:	3:1:1:	C-4:N-3:O-1:	N-3:C-4:C-3:H-1:	C-3:H-1:H-1:	C(CCHN)(NHH)(O)	C(NC[6a]H)(CH3)(CNO)(H)	N(CCO)(H)2	C(CCHN)(NHH)(O)	C(NC[6a]H)(CH3)(CNO)(H)	N(CCO)(H)2	114.5330	0.000	1	114.5330	0.000	1	114.5330	0.000	1	114.5330	0.000	1	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	3:4:3:1:	4:3:1:	C-4:N-3:O-1:	C[6a]-3:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CC[6a]CH)(NCH)(O)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	N(CCCH)(CCO)(H)	C(CC[6a]CH)(NCH)(O)	C(C[6a]C[6a]2)(CH3)(CNO)(H)	N(CCCH)(CCO)(H)	117.1310	0.000	1	117.1310	0.000	1	117.1310	0.000	1	115.7450	3.842	2	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	3:4:3:1:	4:3:1:	C-4:N-3:O-1:	N[5]-3:C-4:C-3:H-1:	C-4:C-3:H-1:	C(CN[5]CH)(NCH)(O)	C(N[5]C[5]2)(CCHN)(CNO)(H)	N(CC3)(CCO)(H)	C(CN[5]CH)(NCH)(O)	C(N[5]C[5]2)(CCHN)(CNO)(H)	N(CC3)(CCO)(H)	114.3590	0.000	1	114.3590	0.000	1	114.3590	0.000	1	115.7450	3.842	2	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	4:3:1:1:	3:1:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)(O)	C(CCHH)(CNO)(H)2	N(CCO)(H)2	C(CCHH)(NHH)(O)	C(CCHH)(CNO)(H)2	N(CCO)(H)2	116.0495	0.835	4	116.0495	0.697	4	116.0495	0.697	4	116.0495	0.697	4	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	4:3:1:1:	3:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-3:C-3:H-1:	C(CCHH)(NCH)(O)	C(CCCH)(CNO)(H)2	N(CCO)(CNS)(H)	C(CCHH)(NCH)(O)	C(CCCH)(CNO)(H)2	N(CCO)(CNS)(H)	116.6050	0.000	1	116.6050	0.000	1	116.6050	0.000	1	114.2910	6.116	3	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	4:3:1:1:	3:3:1:	C-4:N-3:O-1:	C[3x6]-4:C-3:H-1:H-1:	N-3:C-3:H-1:	C(CC[3x6]HH)(NHN)(O)	C(C[3x6]C[6,6]3)(CNO)(H)2	N(NSnC)(CCO)(H)	C(CC[3x6]HH)(NHN)(O)	C(C[3x6]C[6,6]3)(CNO)(H)2	N(NSnC)(CCO)(H)	114.5830	0.000	1	114.5830	0.000	1	114.5830	0.000	1	114.2910	6.116	3	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	4:3:1:1:	3:3:1:	C-4:N-3:O-1:	N-4:C-3:H-1:H-1:	C-3:N-3:H-1:	C(CHHN)(NHN)(O)	C(NC3)(CNO)(H)2	N(CCO)(NHH)(H)	C(CHHN)(NHN)(O)	C(NC3)(CNO)(H)2	N(CCO)(NHH)(H)	111.6850	0.000	1	111.6850	0.000	1	111.6850	0.000	1	114.2910	6.116	3	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CH3)(CNO)(H)2	N(CC[5a]CH)(CCO)(H)	C(CCHH)(NCH)(O)	C(CH3)(CNO)(H)2	N(CC[5a]CH)(CCO)(H)	116.1200	0.000	1	116.1200	0.000	1	117.0085	1.579	2	115.7847	5.283	3	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:H-1:	C(CCHH)(NCH)(O)	C(CHHN)(CNO)(H)2	N(CC3)(CCO)(H)	C(CCHH)(NCH)(O)	C(CHHN)(CNO)(H)2	N(CC3)(CCO)(H)	117.8970	0.000	1	117.8970	0.000	1	117.0085	1.579	2	115.7847	5.283	3	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	S-4:C-3:H-1:	C(CCHH)(NHS)(O)	C(CCHH)(CNO)(H)2	N(SC[6a]OO)(CCO)(H)	C(CCHH)(NHS)(O)	C(CCHH)(CNO)(H)2	N(SC[6a]OO)(CCO)(H)	113.3370	0.000	1	113.3370	0.000	1	113.3370	0.000	1	115.7847	5.283	3	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:2:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:O-2:	C(CCHH)(NCO)(O)	C(CCHH)(CNO)(H)2	N(CC[6a]CH)(CCO)(OC)	C(CCHH)(NCO)(O)	C(CCHH)(CNO)(H)2	N(CC[6a]CH)(CCO)(OC)	118.0975	0.381	2	118.0975	0.145	2	117.9045	0.315	4	117.3750	0.605	7	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:2:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:O-2:	C(CCHH)(NCO)(O)	C(CCHH)(CNO)(H)2	N(CH3)(CCO)(OC)	C(CCHH)(NCO)(O)	C(CCHH)(CNO)(H)2	N(CH3)(CCO)(OC)	117.1410	0.000	1	117.1410	0.000	1	117.9045	0.315	4	117.3750	0.605	7	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:2:	C-4:N-3:O-1:	C-4:C-3:H-1:H-1:	C-4:C-3:O-2:	C(CCHH)(NCO)(O)	C(CC[6a]HP)(CNO)(H)2	N(CH3)(CCO)(OC)	C(CCHH)(NCO)(O)	C(CC[6a]HP)(CNO)(H)2	N(CH3)(CCO)(OC)	118.2820	0.000	1	118.2820	0.000	1	117.9045	0.315	4	117.3750	0.605	7	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:2:	C-4:N-3:O-1:	C[6]-4:C-3:H-1:H-1:	C-4:C-3:O-2:	C(CC[6]HH)(NCO)(O)	C(C[6]C[5a,6]C[6]C)(CNO)(H)2	N(CC[5a]CO)(CCO)(OC)	C(CC[6]HH)(NCO)(O)	C(C[6]C[5a,6]C[6]C)(CNO)(H)2	N(CC[5a]CO)(CCO)(OC)	116.4590	0.000	1	116.4590	0.000	1	116.6690	0.033	3	117.3750	0.605	7	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	4:3:1:1:	4:3:2:	C-4:N-3:O-1:	C[6]-4:C-3:H-1:H-1:	C-4:C-3:O-2:	C(CC[6]HH)(NCO)(O)	C(C[6]C[6,6]C[6]H)(CNO)(H)2	N(CH3)(CCO)(OC)	C(CC[6]HH)(NCO)(O)	C(C[6]C[6,6]C[6]H)(CNO)(H)2	N(CH3)(CCO)(OC)	116.7740	0.000	2	116.7740	0.000	2	116.6690	0.033	3	117.3750	0.605	7	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	4:3:1:1:	4:4:3:	C-4:N-3:H-1:	N-4:C-3:H-1:H-1:	C-4:C-4:C-3:	C(CHHN)(NCC)(H)	C(NCHH)(CHN)(H)2	N(CCHH)2(CCH)	C(CHHN)(NCC)(H)	C(NCHH)(CHN)(H)2	N(CCHH)2(CCH)	113.0690	0.000	1	113.0690	0.000	1	113.0690	0.000	1	113.0690	0.000	1	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NCH)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CH3)(CNO)(NCH)(H)	N(CCCH)(CCO)(H)	116.7140	1.401	2	116.7140	1.964	2	117.0047	1.236	3	117.0047	1.236	3	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CHHS)(CNO)(NCH)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CHHS)(CNO)(NCH)(H)	N(CCCH)(CCO)(H)	117.5860	0.000	1	117.5860	0.000	1	117.0047	1.236	3	117.0047	1.236	3	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	4:3:3:1:	4:3:2:	C-4:N-3:O-1:	C-4:C-3:N-3:H-1:	C-4:C-3:O-2:	C(CCHN)(NCO)(O)	C(CCHH)(CNO)(NCH)(H)	N(CH3)(CCO)(OC)	C(CCHN)(NCO)(O)	C(CCHH)(CNO)(NCH)(H)	N(CH3)(CCO)(OC)	116.4600	0.000	1	116.4600	0.000	1	116.4600	0.000	1	116.4600	0.000	1	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	4:4:3:1:	3:1:1:	C-4:N-3:O-1:	C-4:N-4:C-3:H-1:	C-3:H-1:H-1:	C(CCHN)(NHH)(O)	C(CHHO)(NH3)(CNO)(H)	N(CCO)(H)2	C(CCHN)(NHH)(O)	C(CHHO)(NH3)(CNO)(H)	N(CCO)(H)2	117.2370	0.000	1	117.2370	0.000	1	117.2370	0.000	1	117.2370	0.000	1	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CCHH)(NCHH)(CNO)(H)	N(CC3)(CCO)(H)	C(CCHN)(NCH)(O)	C(CCHH)(NCHH)(CNO)(H)	N(CC3)(CCO)(H)	114.7250	0.000	1	114.7250	0.000	1	115.1700	0.396	2	115.1700	0.396	2	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:1:	C-4:N-3:O-1:	C-4:N-4:C-3:H-1:	C-4:C-3:H-1:	C(CCHN)(NCH)(O)	C(CHHO)(NH3)(CNO)(H)	N(CCCH)(CCO)(H)	C(CCHN)(NCH)(O)	C(CHHO)(NH3)(CNO)(H)	N(CCCH)(CCO)(H)	115.6150	0.000	1	115.6150	0.000	1	115.1700	0.396	2	115.1700	0.396	2	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	4:4:3:1:	4:3:2:	C-4:N-3:O-1:	C[5]-4:C-4:C-3:H-1:	C-4:C-3:O-2:	C(CC[5]CH)(NCO)(O)	C(C[5]C[5,6]C[5]H)(CH3)(CNO)(H)	N(CH3)(CCO)(OC)	C(CC[5]CH)(NCO)(O)	C(C[5]C[5,6]C[5]H)(CH3)(CNO)(H)	N(CH3)(CCO)(OC)	118.3750	0.058	2	118.3750	0.003	2	118.3750	0.003	2	118.3750	0.003	2	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	4:4:3:3:	3:1:1:	C-4:N-3:O-1:	C-4:C-4:C-3:N-3:	C-3:H-1:H-1:	C(CCCN)(NHH)(O)	C(CH3)2(CNO)(NCH)	N(CCO)(H)2	C(CCCN)(NHH)(O)	C(CH3)2(CNO)(NCH)	N(CCO)(H)2	113.3587	0.707	3	113.3587	0.500	3	113.3587	0.500	3	113.3587	0.500	3	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:1:	4:4:3:3:	4:3:1:	C-4:N-3:O-1:	C-4:C-4:C-3:N-3:	C-4:C-3:H-1:	C(CCCN)(NCH)(O)	C(CH3)2(CNO)(NCH)	N(CC3)(CCO)(H)	C(CCCN)(NCH)(O)	C(CH3)2(CNO)(NCH)	N(CC3)(CCO)(H)	117.3490	1.430	2	117.3490	2.044	2	117.3490	2.044	2	117.3490	2.044	2	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:2:	3:3:3:1:	4:4:3:	C-4:N-3:N-2:	N[5a]-3:N[5a]-3:C-3:H-1:	C-4:C-4:C-3:	C(CN[5a]2H)(NCC)(NH)	C(N[5a]C[5a]N[5a])2(CNN)(H)	N(CH3)2(CCN)	C(CN[5a]2H)(NCC)(NH)	C(N[5a]C[5a]N[5a])2(CNN)(H)	N(CH3)2(CCN)	115.3500	0.000	1	115.3500	0.000	1	115.3500	0.000	1	115.3500	0.000	1	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:2:	3:4:4:3:	3:1:1:	C-4:N-3:N-2:	C[6a]-3:C[3]-4:C-4:C-3:	C-3:H-1:H-1:	C(CC[6a]C[3]C)(NHH)(NO)	C(C[6a]C[6a]2)(C[3]C[3]2H)(CH3)(CNN)	N(CCN)(H)2	C(CC[6a]C[3]C)(NHH)(NO)	C(C[6a]C[6a]2)(C[3]C[3]2H)(CH3)(CNN)	N(CCN)(H)2	117.7920	0.000	1	117.7920	0.000	1	117.7920	0.000	1	117.7920	0.000	1	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:2:	4:3:1:1:	3:1:1:	C-4:N-3:N-2:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)(NO)	C(CCHH)(CNN)(H)2	N(CCN)(H)2	C(CCHH)(NHH)(NO)	C(CCHH)(CNN)(H)2	N(CCN)(H)2	118.6577	0.281	3	118.6577	0.079	3	118.6577	0.079	3	117.9951	0.933	8	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:2:	4:3:1:1:	3:1:1:	C-4:N-3:O-2:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)(ONi)	C(CHHN)(CNO)(H)2	N(CCO)(H)2	C(CCHH)(NHH)(ONi)	C(CHHN)(CNO)(H)2	N(CCO)(H)2	116.7760	1.418	2	116.7760	2.012	2	117.4750	1.322	4	117.9951	0.933	8	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:2:	4:3:1:1:	3:1:1:	C-4:N-3:O-2:	C-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CCHH)(NHH)(OSn)	C(CSnHH)(CNO)(H)2	N(CCO)(H)2	C(CCHH)(NHH)(OSn)	C(CSnHH)(CNO)(H)2	N(CCO)(H)2	118.1740	0.010	2	118.1740	0.000	2	117.4750	1.322	4	117.9951	0.933	8	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:2:	4:3:1:1:	3:1:1:	C-4:N-3:O-2:	N-4:C-3:H-1:H-1:	C-3:H-1:H-1:	C(CHHN)(NHH)(ONi)	C(NNiCC)(CNO)(H)2	N(CCO)(H)2	C(CHHN)(NHH)(ONi)	C(NNiCC)(CNO)(H)2	N(CCO)(H)2	118.0880	0.000	1	118.0880	0.000	1	118.0880	0.000	1	117.9951	0.933	8	116.3780	4.066	73	116.3780	4.066	73
930	490	956	0:SP2_SP3_SP3	C	C	N	4:3:3:	4:4:3:2:	4:4:3:	C-4:C-3:N-3:	C-4:C-4:C-3:O-2:	C-4:C-4:C-3:	C(CCCO)(CBrC)(NCC)	C(CH3)2(CCN)(OSi)	N(CH3)2(CCC)	C(CCCO)(CBrC)(NCC)	C(CH3)2(CCN)(OSi)	N(CH3)2(CCC)	111.5690	0.000	1	111.5690	0.000	1	111.5690	0.000	1	111.5690	0.000	1	116.3780	4.066	73	116.3780	4.066	73