930	930	952	0:SP2_SP2_SP3	C	C	S	3:3:4:	3:3:1:	4:3:1:1:	C-3:C-3:S-4:	C[6a]-3:C-3:H-1:	C-4:C-3:O-1:O-1:	C(CC[6a]H)(CC[6a]O)(SCOO)	C(C[6a]C[6a]2)(CCS)(H)	S(CH3)(CCC)(O)2	C(CC[6a]H)(CC[6a]O)(SCOO)	C(C[6a]C[6a]2)(CCS)(H)	S(CH3)(CCC)(O)2	118.1500	0.000	1	118.1500	0.000	1	118.1500	0.000	1	115.4870	14.183	2	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	3:3:4:	3:3:1:	4:3:1:1:	C-3:C-3:S-4:	C[6a]-3:C-3:O-1:	C-4:C-3:O-1:O-1:	C(CC[6a]H)(CC[6a]O)(SCOO)	C(C[6a]C[6a]2)(CCS)(O)	S(CH3)(CCC)(O)2	C(CC[6a]H)(CC[6a]O)(SCOO)	C(C[6a]C[6a]2)(CCS)(O)	S(CH3)(CCC)(O)2	112.8240	0.000	1	112.8240	0.000	1	112.8240	0.000	1	115.4870	14.183	2	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	3:3:4:	3:3:3:	3:4:1:1:	C[6a]-3:C-3:S-4:	C[6a]-3:C-3:N-3:	C-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(CC[6a]N)(SCOO)	C(C[6a]C[6a,6a]C[6a])(CC[6a]S)(NHH)	S(CC[6a]C)(CCHH)(O)2	C(C[6a]C[6a]2)(CC[6a]N)(SCOO)	C(C[6a]C[6a,6a]C[6a])(CC[6a]S)(NHH)	S(CC[6a]C)(CCHH)(O)2	122.8710	0.000	1	122.8710	0.000	1	122.8710	0.000	1	122.8710	0.000	1	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	3:4:1:	3:3:1:	4:3:1:1:	C-3:S-4:H-1:	C[6a]-3:C-3:H-1:	C-4:C-3:O-1:O-1:	C(CC[6a]H)(SCOO)(H)	C(C[6a]C[6a]2)(CHS)(H)	S(CC[5a]HH)(CCH)(O)2	C(CC[6a]H)(SCOO)(H)	C(C[6a]C[6a]2)(CHS)(H)	S(CC[5a]HH)(CCH)(O)2	123.7200	0.000	1	123.7200	0.000	1	120.8794	2.281	7	120.8794	2.281	7	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	3:4:1:	3:3:1:	4:3:1:1:	C-3:S-4:H-1:	C[6a]-3:C-3:H-1:	C-4:C-3:O-1:O-1:	C(CC[6a]H)(SCOO)(H)	C(C[6a]C[6a]2)(CHS)(H)	S(CC[6a]HH)(CCH)(O)2	C(CC[6a]H)(SCOO)(H)	C(C[6a]C[6a]2)(CHS)(H)	S(CC[6a]HH)(CCH)(O)2	121.9720	0.000	1	121.9720	0.000	1	120.8794	2.281	7	120.8794	2.281	7	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	3:4:1:	3:3:1:	4:3:1:1:	C-3:S-4:H-1:	C[6a]-3:C-3:H-1:	C-4:C-3:O-1:O-1:	C(CC[6a]H)(SCOO)(H)	C(C[6a]C[6a]2)(CHS)(H)	S(CHHP)(CCH)(O)2	C(CC[6a]H)(SCOO)(H)	C(C[6a]C[6a]2)(CHS)(H)	S(CHHP)(CCH)(O)2	120.4495	0.931	2	120.4495	0.867	2	120.8794	2.281	7	120.8794	2.281	7	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	3:4:1:	3:3:1:	4:3:1:1:	C-3:S-4:H-1:	C[6a]-3:C-3:H-1:	C-4:C-3:O-1:O-1:	C(CC[6a]H)(SCOO)(H)	C(C[6a]C[6a]2)(CHS)(H)	S(CHHS)(CCH)(O)2	C(CC[6a]H)(SCOO)(H)	C(C[6a]C[6a]2)(CHS)(H)	S(CHHS)(CCH)(O)2	119.8550	0.139	3	119.8550	0.019	3	120.8794	2.281	7	120.8794	2.281	7	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	3:4:1:	3:3:3:	3:3:1:1:	C-3:S-4:H-1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:O-1:	C(CC[5a]C[6a])(SC[6a]OO)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHS)	S(C[6a]C[6a]2)(CCH)(O)2	C(CC[5a]C[6a])(SC[6a]OO)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHS)	S(C[6a]C[6a]2)(CCH)(O)2	126.7640	0.000	1	126.7640	0.000	1	126.7640	0.000	1	127.4185	0.857	2	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	3:4:1:	3:3:3:	3:3:1:1:	C-3:S-4:H-1:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:O-1:	C(CC[6a]N[5a])(SC[6a]OO)(H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHS)	S(C[6a]C[6a]2)(CCH)(O)2	C(CC[6a]N[5a])(SC[6a]OO)(H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHS)	S(C[6a]C[6a]2)(CCH)(O)2	128.0730	0.000	1	128.0730	0.000	1	128.0730	0.000	1	127.4185	0.857	2	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	3:4:1:	4:3:1:	3:3:1:1:	C-3:S-4:H-1:	C[5]-4:C-3:H-1:	C-3:C-3:O-1:O-1:	C(CC[5]H)(SCOO)(H)	C(C[5]C[5]O[5]H)(CHS)(H)	S(CCH)2(O)2	C(CC[5]H)(SCOO)(H)	C(C[5]C[5]O[5]H)(CHS)(H)	S(CCH)2(O)2	121.9835	0.610	2	121.9835	0.372	2	121.9835	0.372	2	121.9835	0.372	2	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	3:4:2:	3:3:3:	4:4:4:3:	C-3:S-4:C-2:	C[6a]-3:C-3:C-3:	C-4:C-4:C-4:C-3:	C(CC[6a]C)(SC3)(CO)	C(C[6a]C[6a]2)(CC[6a]O)(CCS)	S(CC3)(CH3)2(CCC)	C(CC[6a]C)(SC3)(CO)	C(C[6a]C[6a]2)(CC[6a]O)(CCS)	S(CC3)(CH3)2(CCC)	123.1230	0.000	1	123.1230	0.000	1	123.1230	0.000	1	123.1230	0.000	1	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	3:4:3:	3:1:1:	3:3:1:1:	C[6a]-3:S-4:C-3:	C-3:H-1:H-1:	C[6a]-3:C-3:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CHH)	C(CC[6a]S)(H)2	S(C[6a]C[6a]2)(CC[6a]C)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CHH)	C(CC[6a]S)(H)2	S(C[6a]C[6a]2)(CC[6a]C)(O)2	117.7090	0.000	1	117.7090	0.000	1	117.7090	0.000	1	117.7090	0.000	1	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	3:4:3:	3:2:1:	3:3:1:1:	C[6a]-3:S-4:C-3:	C-3:C-2:I-1:	C[6a]-3:C-3:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CCI)	C(CC[6a]S)(CC)(I)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CCI)	C(CC[6a]S)(CC)(I)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	120.6990	0.000	1	120.6990	0.000	1	120.6990	0.000	1	117.7300	17.630	2	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	3:4:3:	3:2:1:	3:3:1:1:	C[6a]-3:S-4:C-3:	C-3:N-2:H-1:	C[6a]-3:C-3:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CHN)	C(CC[6a]S)(NS)(H)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CHN)	C(CC[6a]S)(NS)(H)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	114.7610	0.000	1	114.7610	0.000	1	114.7610	0.000	1	117.7300	17.630	2	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	3:4:3:	3:2:1:	3:4:1:1:	C[5]-3:S-4:C-3:	C-3:C-2:H-1:	C-3:C-4:O-1:O-1:	C(C[5]C[5,6]S[5])(SCOO)(CCH)	C(CC[5]S)(CC)(H)	S(CC[5]C)(CH3)(O)2	C(C[5]C[5,6]S[5])(SCOO)(CCH)	C(CC[5]S)(CC)(H)	S(CC[5]C)(CH3)(O)2	121.1018	0.227	4	121.1018	0.051	4	121.1018	0.051	4	120.9096	0.446	9	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	3:4:3:	3:2:1:	3:4:1:1:	C[6a]-3:S-4:C-3:	C-3:C-2:H-1:	C-3:C-4:O-1:O-1:	C(C[6a]C[6a]2)(SCOO)(CCH)	C(CC[6a]S)(CC)(H)	S(CC[6a]C)(CH3)(O)2	C(C[6a]C[6a]2)(SCOO)(CCH)	C(CC[6a]S)(CC)(H)	S(CC[6a]C)(CH3)(O)2	120.7558	0.887	5	120.7558	0.787	5	120.7558	0.787	5	120.9096	0.446	9	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	3:4:3:	3:3:1:	3:3:1:1:	C[6a]-3:S-4:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C(CC[6a]S)(CNO)(H)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C(CC[6a]S)(CNO)(H)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	117.4460	0.000	1	117.4460	0.000	1	117.4460	0.000	1	119.0138	10.692	13	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	3:4:3:	3:3:1:	3:3:1:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C-3:Br-1:	C[6a]-3:C-3:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]Br)	C(C[6a]C[6a]2)(CC[6a]S)(Br)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]Br)	C(C[6a]C[6a]2)(CC[6a]S)(Br)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	124.1530	0.000	1	124.1530	0.000	1	124.1530	0.000	1	119.0138	10.692	13	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	3:4:3:	3:3:1:	3:3:1:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:O-1:	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]S)(H)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]S)(H)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	115.1170	0.000	1	115.1170	0.000	1	116.3182	0.424	6	119.0138	10.692	13	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	3:4:3:	3:3:1:	3:3:1:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]S)(H)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]S)(H)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	116.5584	0.311	5	116.5584	0.097	5	116.3182	0.424	6	119.0138	10.692	13	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	3:4:3:	3:3:1:	3:3:1:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C-3:I-1:	C[6a]-3:C-3:O-1:O-1:	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]I)	C(C[6a]C[6a,6a]C[6a])(CC[6a]S)(I)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]I)	C(C[6a]C[6a,6a]C[6a])(CC[6a]S)(I)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	121.2215	0.390	2	121.2215	0.152	2	120.9093	4.715	4	119.0138	10.692	13	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	3:4:3:	3:3:1:	3:3:1:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C-3:I-1:	C[6a]-3:C-3:O-1:O-1:	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]I)	C(C[6a]C[6a]2)(CC[6a]S)(I)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]I)	C(C[6a]C[6a]2)(CC[6a]S)(I)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	120.5970	3.688	2	120.5970	13.603	2	120.9093	4.715	4	119.0138	10.692	13	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	3:4:3:	3:3:1:	3:3:1:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C-3:Se-1:	C[6a]-3:C-3:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]Se)	C(C[6a]C[6a]2)(CC[6a]S)(Se)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]Se)	C(C[6a]C[6a]2)(CC[6a]S)(Se)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	124.0340	0.000	1	124.0340	0.000	1	124.0340	0.000	1	119.0138	10.692	13	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	3:4:3:	3:3:1:	3:4:1:1:	C[6a]-3:S-4:C-3:	C-3:C-3:H-1:	C-3:C-4:O-1:O-1:	C(C[6a]C[6a,6a]C[6a])(SCOO)(CCH)	C(CC[6a]O)(CC[6a]S)(H)	S(CC[6a]C)(CCHH)(O)2	C(C[6a]C[6a,6a]C[6a])(SCOO)(CCH)	C(CC[6a]O)(CC[6a]S)(H)	S(CC[6a]C)(CCHH)(O)2	116.0800	0.000	1	116.0800	0.000	1	116.0800	0.000	1	116.0800	0.000	1	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	3:4:3:	3:3:2:	3:3:1:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]S)(OC)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]S)(OC)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	122.5410	0.000	1	122.5410	0.000	1	122.5410	0.000	1	122.4625	0.012	2	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	3:4:3:	3:3:2:	3:3:1:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C-3:Se-2:	C[6a]-3:C-3:O-1:O-1:	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]Se)	C(C[6a]C[6a]2)(CC[6a]S)(SeC[6a])	S(C[6a]C[6a]2)(CC[6a]C)(O)2	C(C[6a]C[6a,6a]C[6a])(SC[6a]OO)(CC[6a]Se)	C(C[6a]C[6a]2)(CC[6a]S)(SeC[6a])	S(C[6a]C[6a]2)(CC[6a]C)(O)2	122.3840	0.000	1	122.3840	0.000	1	122.3840	0.000	1	122.4625	0.012	2	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	3:4:3:	3:3:3:	3:3:1:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C-3:N-3:	C[6a]-3:C-3:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]N)	C(C[6a]C[6a]2)(CC[6a]S)(NHH)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]N)	C(C[6a]C[6a]2)(CC[6a]S)(NHH)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	123.3630	0.000	1	123.3630	0.000	1	123.3630	0.000	1	123.3630	0.000	1	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	3:4:3:	3:3:4:	3:3:1:1:	C[6a]-3:S-4:C-3:	C[6a]-3:C-3:C-4:	C[6a]-3:C-3:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]S)(CCHH)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]S)(CCHH)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	122.0880	0.000	1	122.0880	0.000	1	122.0880	0.000	1	122.0880	0.000	1	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	3:4:3:	3:4:1:	3:2:1:1:	C[6a]-3:S-4:C-3:	C-3:C-4:H-1:	C-3:N-2:O-1:O-1:	C(C[6a]C[6a]2)(SNOO)(CCH)	C(CC[6a]S)(CF3)(H)	S(CC[6a]C)(NN[6])(O)2	C(C[6a]C[6a]2)(SNOO)(CCH)	C(CC[6a]S)(CF3)(H)	S(CC[6a]C)(NN[6])(O)2	115.0710	0.000	1	115.0710	0.000	1	115.0710	0.000	1	115.0710	0.000	1	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	3:4:3:	3:4:1:	3:4:1:1:	C[5]-3:S-4:C-3:	C-3:C-4:O-1:	C-3:C-4:O-1:O-1:	C(C[5]N[5]O[5])(SCOO)(CCO)	C(CC[5]S)(CH3)(O)	S(CC[5]C)(CCFF)(O)2	C(C[5]N[5]O[5])(SCOO)(CCO)	C(CC[5]S)(CH3)(O)	S(CC[5]C)(CCFF)(O)2	122.9400	0.000	1	122.9400	0.000	1	122.9400	0.000	1	122.9400	0.000	1	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	3:4:3:	4:3:1:	3:3:1:1:	C[6a]-3:S-4:C-3:	S-4:C-3:H-1:	C[6a]-3:C-3:O-1:O-1:	C(C[6a]C[6a]2)(SC[6a]OO)(CHS)	C(SC[6a]OO)(CC[6a]S)(H)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	C(C[6a]C[6a]2)(SC[6a]OO)(CHS)	C(SC[6a]OO)(CC[6a]S)(H)	S(C[6a]C[6a]2)(CC[6a]C)(O)2	114.2460	0.830	2	114.2460	0.689	2	114.2460	0.689	2	114.2460	0.689	2	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	3:4:3:	4:3:3:	3:3:1:1:	C[6]-3:S-4:C-3:	P-4:C-3:C-3:	C[6a]-3:C-3:O-1:O-1:	C(C[6]C[6]2)(SC[6a]OO)(CCP)	C(PC[6a]2O)(CC[6]S)(CHH)	S(C[6a]C[6a]2)(CC[6]C)(O)2	C(C[6]C[6]2)(SC[6a]OO)(CCP)	C(PC[6a]2O)(CC[6]S)(CHH)	S(C[6a]C[6a]2)(CC[6]C)(O)2	112.1870	0.000	1	112.1870	0.000	1	112.1870	0.000	1	112.1870	0.000	1	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	3:4:4:	3:3:1:	4:3:1:1:	C-3:S-4:C-4:	C[5a]-3:C-3:H-1:	C-4:C-3:O-1:O-1:	C(CC[5a]H)(SCOO)(CH3)	C(C[5a]C[5a]N[5a])(CCS)(H)	S(CH3)(CCC)(O)2	C(CC[5a]H)(SCOO)(CH3)	C(C[5a]C[5a]N[5a])(CCS)(H)	S(CH3)(CCC)(O)2	119.3480	5.490	2	119.3480	30.140	2	119.3480	30.140	2	119.3480	30.140	2	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:2:3:	3:3:1:	3:3:1:1:	S-4:S-2:C-3:	C-3:N-3:H-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(SC[6a])(CHN)	C(CSS)(NCC)(H)	S(C[6a]C[6a]2)(CCS)(O)2	C(SC[6a]OO)(SC[6a])(CHN)	C(CSS)(NCC)(H)	S(C[6a]C[6a]2)(CCS)(O)2	115.4835	0.791	2	115.4835	0.626	2	115.4835	0.626	2	115.4835	0.626	2	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	2:4:3:	3:3:1:1:	S-4:C-3:H-1:	Se-2:C-4:C-3:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CSeC)(H)	C(SeC[6a])(CCHH)(CHS)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CSeC)(H)	C(SeC[6a])(CCHH)(CHS)	S(C[6a]C[6a]2)(CCH)(O)2	125.9780	0.000	1	125.9780	0.000	1	125.9780	0.000	1	125.9780	0.000	1	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	3:1:1:	3:3:1:1:	S-4:C-3:H-1:	C-3:H-1:H-1:	C-3:N-3:O-1:O-1:	C(SNOO)(CHH)(H)	C(CHS)(H)2	S(CCH)(NCH)(O)2	C(SNOO)(CHH)(H)	C(CHS)(H)2	S(CCH)(NCH)(O)2	122.1340	0.000	1	122.1340	0.000	1	122.1340	0.000	1	121.3307	0.585	3	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	3:1:1:	3:3:1:1:	S-4:C-3:H-1:	C-3:H-1:H-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CHH)(H)	C(CHS)(H)2	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CHH)(H)	C(CHS)(H)2	S(C[6a]C[6a]2)(CCH)(O)2	120.6110	0.000	1	120.6110	0.000	1	120.6110	0.000	1	121.3307	0.585	3	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	3:1:1:	3:3:1:1:	S-4:C-3:H-1:	C-3:H-1:H-1:	N[6]-3:C-3:O-1:O-1:	C(SN[6]OO)(CHH)(H)	C(CHS)(H)2	S(N[6]C[6]2)(CCH)(O)2	C(SN[6]OO)(CHH)(H)	C(CHS)(H)2	S(N[6]C[6]2)(CCH)(O)2	121.2470	0.000	1	121.2470	0.000	1	121.2470	0.000	1	121.3307	0.585	3	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	3:1:1:	3:3:2:1:	S-4:C-3:H-1:	C-3:H-1:H-1:	C[6a]-3:C-3:N-2:O-1:	C(SC[6a]NO)(CHH)(H)	C(CHS)(H)2	S(C[6a]C[6a]2)(CCH)(NS)(O)	C(SC[6a]NO)(CHH)(H)	C(CHS)(H)2	S(C[6a]C[6a]2)(CCH)(NS)(O)	118.7140	0.000	1	118.7140	0.000	1	118.7140	0.000	1	118.7140	0.000	1	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	3:1:1:	3:4:4:3:	S-4:C-3:H-1:	C-3:H-1:H-1:	C[5]-3:C-4:C-4:C-3:	C(SC[5]CC)(CHH)(H)	C(CHS)(H)2	S(C[5]C[5]2)(CH3)2(CCH)	C(SC[5]CC)(CHH)(H)	C(CHS)(H)2	S(C[5]C[5]2)(CH3)2(CCH)	123.3920	0.000	1	123.3920	0.000	1	123.3920	0.000	1	123.3920	0.000	1	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	3:2:3:	3:3:1:1:	S-4:C-3:H-1:	C[6a]-3:Se-2:C-3:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]Se)(H)	C(C[6a]C[6a]2)(SeC[6a])(CHS)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CC[6a]Se)(H)	C(C[6a]C[6a]2)(SeC[6a])(CHS)	S(C[6a]C[6a]2)(CCH)(O)2	126.5685	0.006	2	126.5685	0.000	2	126.5685	0.000	2	126.5685	0.000	2	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	3:3:1:	3:1:1:1:	S-4:C-3:Br-1:	C-3:C-3:H-1:	C-3:F-1:O-1:O-1:	C(SFOO)(CCH)(Br)	C(CBrS)(CCH)(H)	S(CBrC)(F)(O)2	C(SFOO)(CCH)(Br)	C(CBrS)(CCH)(H)	S(CBrC)(F)(O)2	120.1750	0.000	1	120.1750	0.000	1	120.1750	0.000	1	120.1750	0.000	1	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	3:3:1:	3:3:1:1:	S-4:C-3:H-1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CCH)(H)	C(CCC)(CHS)(H)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CCH)(H)	C(CCC)(CHS)(H)	S(C[6a]C[6a]2)(CCH)(O)2	120.4110	0.000	1	120.4110	0.000	1	121.9173	1.980	3	122.7747	9.679	22	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	3:3:1:	3:3:1:1:	S-4:C-3:H-1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CCH)(H)	C(CCH)(CHS)(H)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CCH)(H)	C(CCH)(CHS)(H)	S(C[6a]C[6a]2)(CCH)(O)2	122.6705	0.746	2	122.6705	0.557	2	121.9173	1.980	3	122.7747	9.679	22	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	3:3:1:	3:3:1:1:	S-4:C-3:H-1:	C-3:N-3:H-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CHN)(H)	C(CHS)(NCC)(H)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CHN)(H)	C(CHS)(NCC)(H)	S(C[6a]C[6a]2)(CCH)(O)2	119.8285	0.612	2	119.8285	0.374	2	119.8285	0.374	2	122.7747	9.679	22	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	3:3:1:	3:3:1:1:	S-4:C-3:H-1:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]Cl)(H)	C(C[6a]C[6a]2)(CHS)(Cl)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CC[6a]Cl)(H)	C(C[6a]C[6a]2)(CHS)(Cl)	S(C[6a]C[6a]2)(CCH)(O)2	126.0300	1.356	3	126.0300	1.839	3	126.0300	1.839	3	122.7747	9.679	22	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	3:3:1:	3:3:1:1:	S-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CHS)(H)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CHS)(H)	S(C[6a]C[6a]2)(CCH)(O)2	121.5118	1.575	12	121.5118	2.479	12	121.5118	2.479	12	122.7747	9.679	22	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	3:3:1:	3:3:1:1:	S-4:C-3:H-1:	C[6a]-3:C-3:I-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]I)(H)	C(C[6a]C[6a]2)(CHS)(I)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CC[6a]I)(H)	C(C[6a]C[6a]2)(CHS)(I)	S(C[6a]C[6a]2)(CCH)(O)2	129.7010	1.239	2	129.7010	1.535	2	129.7010	1.535	2	122.7747	9.679	22	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	3:3:1:	4:3:1:1:	S-4:C-3:H-1:	C-3:C-3:H-1:	C-4:C-3:O-1:O-1:	C(SCOO)(CCH)(H)	C(CCH)(CHS)(H)	S(CCHH)(CCH)(O)2	C(SCOO)(CCH)(H)	C(CCH)(CHS)(H)	S(CCHH)(CCH)(O)2	120.4680	0.000	1	120.4680	0.000	1	120.4680	0.000	1	120.4680	0.000	1	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	3:3:2:	3:3:1:1:	S-4:C-3:H-1:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHS)(OC)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHS)(OC)	S(C[6a]C[6a]2)(CCH)(O)2	124.6810	0.000	1	124.6810	0.000	1	124.6810	0.000	1	125.2660	0.684	2	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	3:3:2:	3:3:1:1:	S-4:C-3:H-1:	C[6a]-3:C-3:S-2:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CHS)(SC)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CHS)(SC)	S(C[6a]C[6a]2)(CCH)(O)2	125.8510	0.000	1	125.8510	0.000	1	125.8510	0.000	1	125.2660	0.684	2	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	3:3:3:	3:3:1:1:	S-4:C-3:H-1:	C-3:C-3:N-3:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CCN)(H)	C(CCF)(CHS)(NCH)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CCN)(H)	C(CCF)(CHS)(NCH)	S(C[6a]C[6a]2)(CCH)(O)2	124.2360	0.000	1	124.2360	0.000	1	124.2360	0.000	1	125.8820	5.301	3	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	3:3:3:	3:3:1:1:	S-4:C-3:H-1:	C[6a]-3:C-3:N-3:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CHS)(NCC)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CHS)(NCC)	S(C[6a]C[6a]2)(CCH)(O)2	128.5130	0.000	1	128.5130	0.000	1	126.7050	6.538	2	125.8820	5.301	3	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	3:3:3:	3:3:1:1:	S-4:C-3:H-1:	C[6a]-3:C-3:N-3:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CHS)(NHH)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CHS)(NHH)	S(C[6a]C[6a]2)(CCH)(O)2	124.8970	0.000	1	124.8970	0.000	1	126.7050	6.538	2	125.8820	5.301	3	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	3:3:3:	3:3:2:1:	S-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-2:O-1:	C(SC[6a]NO)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CHS)	S(C[6a]C[6a]2)(CCH)(NC)(O)	C(SC[6a]NO)(CC[6a]2)(H)	C(C[6a]C[6a]2)2(CHS)	S(C[6a]C[6a]2)(CCH)(NC)(O)	125.9140	0.000	1	125.9140	0.000	1	125.9140	0.000	1	125.9140	0.000	1	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	3:3:3:	4:3:1:1:	S-4:C-3:H-1:	C[6a]-3:C-3:N-3:	C[6]-4:C-3:O-1:O-1:	C(SC[6]OO)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CHS)(NHH)	S(C[6]C[6]2H)(CCH)(O)2	C(SC[6]OO)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CHS)(NHH)	S(C[6]C[6]2H)(CCH)(O)2	126.4770	0.257	2	126.4770	0.066	2	126.4770	0.066	2	126.4770	0.066	2	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	3:4:3:	3:3:1:1:	S-4:C-3:H-1:	C[6a]-3:S-4:C-3:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]S)(H)	C(C[6a]C[6a]2)(SC[6a]OO)(CHS)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CC[6a]S)(H)	C(C[6a]C[6a]2)(SC[6a]OO)(CHS)	S(C[6a]C[6a]2)(CCH)(O)2	126.6575	1.100	2	126.6575	1.209	2	126.6575	1.209	2	127.0647	1.102	3	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	3:4:3:	3:3:1:1:	S-4:C-3:H-1:	N-3:C-4:C-3:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CCN)(H)	C(NC[6a]S)(CCHH)(CHS)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CCN)(H)	C(NC[6a]S)(CCHH)(CHS)	S(C[6a]C[6a]2)(CCH)(O)2	127.8790	0.000	1	127.8790	0.000	1	127.8790	0.000	1	127.0647	1.102	3	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	4:2:3:	3:3:1:1:	S-4:C-3:H-1:	C[3]-4:Se-2:C-3:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[3]Se)(H)	C(C[3]C[3]2H)(SeC[6a])(CHS)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CC[3]Se)(H)	C(C[3]C[3]2H)(SeC[6a])(CHS)	S(C[6a]C[6a]2)(CCH)(O)2	126.4130	0.000	1	126.4130	0.000	1	126.4130	0.000	1	126.4130	0.000	1	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	4:3:1:	3:3:1:1:	S-4:C-3:H-1:	C-4:C-3:H-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CCH)(H)	C(CCHN)(CHS)(H)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CCH)(H)	C(CCHN)(CHS)(H)	S(C[6a]C[6a]2)(CCH)(O)2	120.5830	0.000	1	120.5830	0.000	1	123.3641	11.246	10	123.0115	11.489	11	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	4:3:1:	3:3:1:1:	S-4:C-3:H-1:	C-4:C-3:H-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CCH)(H)	C(CCHO)(CHS)(H)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CCH)(H)	C(CCHO)(CHS)(H)	S(C[6a]C[6a]2)(CCH)(O)2	125.3770	2.806	6	125.3770	7.876	6	123.3641	11.246	10	123.0115	11.489	11	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	4:3:1:	3:3:1:1:	S-4:C-3:H-1:	C-4:C-3:H-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CCH)(H)	C(CC[6a]HN)(CHS)(H)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CCH)(H)	C(CC[6a]HN)(CHS)(H)	S(C[6a]C[6a]2)(CCH)(O)2	119.9930	0.734	2	119.9930	0.539	2	123.3641	11.246	10	123.0115	11.489	11	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	4:3:1:	3:3:1:1:	S-4:C-3:H-1:	C-4:C-3:H-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CCH)(H)	C(CN[5]CH)(CHS)(H)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CCH)(H)	C(CN[5]CH)(CHS)(H)	S(C[6a]C[6a]2)(CCH)(O)2	120.8100	0.000	1	120.8100	0.000	1	123.3641	11.246	10	123.0115	11.489	11	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	4:3:1:	3:3:1:1:	S-4:C-3:H-1:	C[6]-4:C-3:H-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6]H)(H)	C(C[6]C[6]N[6]C)(CHS)(H)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CC[6]H)(H)	C(C[6]C[6]N[6]C)(CHS)(H)	S(C[6a]C[6a]2)(CCH)(O)2	119.4860	0.000	1	119.4860	0.000	1	119.4860	0.000	1	123.0115	11.489	11	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	4:3:1:	3:3:2:1:	S-4:C-3:H-1:	C-4:C-3:H-1:	C[6a]-3:C-3:N-2:O-1:	C(SC[6a]NO)(CCH)(H)	C(CH3)(CHS)(H)	S(C[6a]C[6a]2)(CCH)(NS)(O)	C(SC[6a]NO)(CCH)(H)	C(CH3)(CHS)(H)	S(C[6a]C[6a]2)(CCH)(NS)(O)	119.4810	0.000	1	119.4810	0.000	1	119.4810	0.000	1	119.4810	0.000	1	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	4:3:2:	4:3:1:1:	S-4:C-3:H-1:	C-4:C-3:N-2:	C-4:C-3:O-1:O-1:	C(SCOO)(CCN)(H)	C(CH3)(CHS)(NC)	S(CH3)(CCH)(O)2	C(SCOO)(CCN)(H)	C(CH3)(CHS)(NC)	S(CH3)(CCH)(O)2	125.1340	0.000	1	125.1340	0.000	1	125.1340	0.000	1	125.1340	0.000	1	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	4:3:3:	3:3:1:1:	S-4:C-3:H-1:	C-4:C-3:C-3:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CCC)(H)	C(CH3)(CCH)(CHS)	S(C[6a]C[6a,6a]C[6a])(CCH)(O)2	C(SC[6a]OO)(CCC)(H)	C(CH3)(CCH)(CHS)	S(C[6a]C[6a,6a]C[6a])(CCH)(O)2	127.4640	0.000	1	127.4640	0.000	1	125.1695	10.529	2	125.1695	10.529	2	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	4:3:3:	3:3:1:1:	S-4:C-3:H-1:	C-4:C-3:C-3:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CCC)(H)	C(CH3)(CCH)(CHS)	S(C[6a]C[6a]2)(CCH)(O)2	C(SC[6a]OO)(CCC)(H)	C(CH3)(CCH)(CHS)	S(C[6a]C[6a]2)(CCH)(O)2	122.8750	0.000	1	122.8750	0.000	1	125.1695	10.529	2	125.1695	10.529	2	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	4:4:3:	3:3:2:1:	S-4:C-3:H-1:	C-4:C-4:C-3:	C[6a]-3:C-3:N-2:O-1:	C(SC[6a]NO)(CCC)(H)	C(CCCH)(CCHH)(CHS)	S(C[6a]C[6a]2)(CCH)(NC)(O)	C(SC[6a]NO)(CCC)(H)	C(CCCH)(CCHH)(CHS)	S(C[6a]C[6a]2)(CCH)(NC)(O)	126.3665	0.989	2	126.3665	0.979	2	126.5197	0.560	3	126.5197	0.560	3	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:1:	4:4:3:	3:3:2:1:	S-4:C-3:H-1:	C-4:C-4:C-3:	C[6a]-3:C-3:N-2:O-1:	C(SC[6a]NO)(CCC)(H)	C(CCCH)(CH3)(CHS)	S(C[6a]C[6a]2)(CCH)(NC)(O)	C(SC[6a]NO)(CCC)(H)	C(CCCH)(CH3)(CHS)	S(C[6a]C[6a]2)(CCH)(NC)(O)	126.8260	0.000	1	126.8260	0.000	1	126.5197	0.560	3	126.5197	0.560	3	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:2:	3:2:1:	3:3:1:1:	S-4:C-3:C-2:	C-3:O-2:H-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CHO)(CN)	C(CCS)(OC)(H)	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CHO)(CN)	C(CCS)(OC)(H)	S(C[6a]C[6a]2)(CCC)(O)2	119.8960	0.000	1	119.8960	0.000	1	119.8960	0.000	1	119.8960	0.000	1	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:2:	3:2:2:	3:3:1:1:	S-4:C-3:C-2:	C-3:N-2:S-2:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CNS)(CN)	C(CCS)(NC)(SC)	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CNS)(CN)	C(CCS)(NC)(SC)	S(C[6a]C[6a]2)(CCC)(O)2	124.7370	0.000	1	124.7370	0.000	1	124.7370	0.000	1	124.7370	0.000	1	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:2:	3:3:1:	3:3:1:1:	S-4:C-3:C-2:	N-3:C-3:S-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CNS)(CN)	C(NC[6a]H)(CCS)(S)	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CNS)(CN)	C(NC[6a]H)(CCS)(S)	S(C[6a]C[6a]2)(CCC)(O)2	126.3770	0.000	1	126.3770	0.000	1	126.3770	0.000	1	117.9719	15.123	7	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:2:	3:3:1:	3:3:1:1:	S-4:C-3:N-2:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]O)(NN)	C(C[6a]C[6a]2)(CNS)(O)	S(C[6a]C[6a]2)(CCN)(O)2	C(SC[6a]OO)(CC[6a]O)(NN)	C(C[6a]C[6a]2)(CNS)(O)	S(C[6a]C[6a]2)(CCN)(O)2	116.5710	1.290	6	116.5710	1.664	6	116.5710	1.664	6	117.9719	15.123	7	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:2:	3:3:1:	4:3:1:1:	S-4:C-3:C-2:	C-3:N-3:H-1:	C-4:C-3:O-1:O-1:	C(SCOO)(CHN)(CN)	C(CCS)(NHN)(H)	S(CH3)(CCC)(O)2	C(SCOO)(CHN)(CN)	C(CCS)(NHN)(H)	S(CH3)(CCC)(O)2	119.0300	0.000	1	119.0300	0.000	1	119.0300	0.000	1	119.0300	0.000	1	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:2:	3:3:2:	3:3:1:1:	S-4:C-3:C-2:	C-3:N-3:S-2:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CNS)(CN)	C(CCS)(NCH)(SC)	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CNS)(CN)	C(CCS)(NCH)(SC)	S(C[6a]C[6a]2)(CCC)(O)2	124.1323	1.289	3	124.1323	1.663	3	124.1323	1.663	3	124.1265	1.363	11	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:2:	3:3:2:	3:3:1:1:	S-4:C-3:C-2:	N-3:C-3:S-2:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CNS)(CN)	C(NC[6a]H)(CCS)(SC)	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CNS)(CN)	C(NC[6a]H)(CCS)(SC)	S(C[6a]C[6a]2)(CCC)(O)2	124.1244	1.214	8	124.1244	1.473	8	124.1244	1.473	8	124.1265	1.363	11	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:2:	4:3:2:	3:3:1:1:	S-4:C-3:N-2:	C-4:C-3:N-2:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CCN)(NN)	C(CH3)(CNS)(NN)	S(C[6a]C[6a]2)(CCN)(O)2	C(SC[6a]OO)(CCN)(NN)	C(CH3)(CNS)(NN)	S(C[6a]C[6a]2)(CCN)(O)2	121.3290	0.000	1	121.3290	0.000	1	121.3290	0.000	1	121.3290	0.000	1	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:3:	3:2:1:	3:3:1:1:	S-4:C-3:C-3:	C-3:O-2:O-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CCH)(COO)	C(CCS)(OC)(O)	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CCH)(COO)	C(CCS)(OC)(O)	S(C[6a]C[6a]2)(CCC)(O)2	114.7640	0.720	2	114.7640	0.518	2	113.1136	2.423	5	113.1136	2.423	5	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:3:	3:2:1:	3:3:1:1:	S-4:C-3:C-3:	C-3:O-2:O-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]Se)(COO)	C(CCS)(OC)(O)	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CC[6a]Se)(COO)	C(CCS)(OC)(O)	S(C[6a]C[6a]2)(CCC)(O)2	111.8880	0.000	2	111.8880	0.000	2	113.1136	2.423	5	113.1136	2.423	5	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:3:	3:2:1:	3:3:1:1:	S-4:C-3:C-3:	C-3:O-2:O-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CClC)(COO)	C(CCS)(OC)(O)	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CClC)(COO)	C(CCS)(OC)(O)	S(C[6a]C[6a]2)(CCC)(O)2	112.2640	0.000	1	112.2640	0.000	1	113.1136	2.423	5	113.1136	2.423	5	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:3:	3:2:1:	4:3:1:1:	S-4:C-3:C-3:	C-3:O-2:O-1:	C-4:C-3:O-1:O-1:	C(SCOO)(CCN)(COO)	C(CCS)(OC)(O)	S(CCHH)(CCC)(O)2	C(SCOO)(CCN)(COO)	C(CCS)(OC)(O)	S(CCHH)(CCC)(O)2	113.3140	0.000	1	113.3140	0.000	1	113.3140	0.000	1	113.3140	0.000	1	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:3:	3:2:1:	4:4:3:1:	S-4:C-3:C-3:	C-3:O-2:O-1:	C-4:C-4:C-3:O-1:	C(SCCO)(CNO)(COO)	C(CCS)(OC)(O)	S(CH3)2(CCC)(O)	C(SCCO)(CNO)(COO)	C(CCS)(OC)(O)	S(CH3)2(CCC)(O)	123.8890	0.840	2	123.8890	0.706	2	123.8890	0.706	2	123.8890	0.706	2	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:3:	3:2:3:	3:3:1:1:	S-4:C-3:C-3:	C[6a]-3:Se-2:C-3:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]Se)(COO)	C(C[6a]C[6a]2)(SeC[6a])(CCS)	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CC[6a]Se)(COO)	C(C[6a]C[6a]2)(SeC[6a])(CCS)	S(C[6a]C[6a]2)(CCC)(O)2	123.7310	0.000	2	123.7310	0.000	2	123.7310	0.000	2	123.7310	0.000	2	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:3:	3:3:1:	3:3:1:1:	S-4:C-3:C-3:	C-3:C-3:Cl-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CClC)(COO)	C(CCS)(COO)(Cl)	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CClC)(COO)	C(CCS)(COO)(Cl)	S(C[6a]C[6a]2)(CCC)(O)2	124.0190	0.000	1	124.0190	0.000	1	124.0190	0.000	1	116.4012	13.435	16	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:3:	3:3:1:	3:3:1:1:	S-4:C-3:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CCH)(CCO)	C(CCH)(CCS)(H)	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CCH)(CCO)	C(CCH)(CCS)(H)	S(C[6a]C[6a]2)(CCC)(O)2	112.2650	0.020	2	112.2650	0.000	2	114.7638	8.364	4	116.4012	13.435	16	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:3:	3:3:1:	3:3:1:1:	S-4:C-3:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CCH)(COO)	C(CCH)(CCS)(H)	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CCH)(COO)	C(CCH)(CCS)(H)	S(C[6a]C[6a]2)(CCC)(O)2	117.2625	0.343	2	117.2625	0.118	2	114.7638	8.364	4	116.4012	13.435	16	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:3:	3:3:1:	3:3:1:1:	S-4:C-3:C-3:	C-3:N-3:O-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CN[6]H)(CNO)	C(CCS)(NCH)(O)	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CN[6]H)(CNO)	C(CCS)(NCH)(O)	S(C[6a]C[6a]2)(CCC)(O)2	118.1200	0.000	1	118.1200	0.000	1	118.1200	0.000	1	116.4012	13.435	16	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:3:	3:3:1:	3:3:1:1:	S-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]H)(CCO)	C(C[6a]C[6a]2)(CCS)(H)	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CC[6a]H)(CCO)	C(C[6a]C[6a]2)(CCS)(H)	S(C[6a]C[6a]2)(CCC)(O)2	116.8770	0.000	1	116.8770	0.000	1	118.0147	2.116	4	116.4012	13.435	16	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:3:	3:3:1:	3:3:1:1:	S-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]H)(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(CCS)(H)	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CC[6a]H)(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(CCS)(H)	S(C[6a]C[6a]2)(CCC)(O)2	120.0970	0.000	1	120.0970	0.000	1	118.0147	2.116	4	116.4012	13.435	16	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:3:	3:3:1:	3:3:1:1:	S-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CCS)(H)	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CCS)(H)	S(C[6a]C[6a]2)(CCC)(O)2	117.5425	0.523	2	117.5425	0.273	2	118.0147	2.116	4	116.4012	13.435	16	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:3:	3:3:1:	3:3:1:1:	S-4:C-3:C-3:	C[6a]-3:C-3:I-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]I)(CC[6a]O)	C(C[6a]C[6a]2)(CCS)(I)	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CC[6a]I)(CC[6a]O)	C(C[6a]C[6a]2)(CCS)(I)	S(C[6a]C[6a]2)(CCC)(O)2	122.4620	0.000	1	122.4620	0.000	1	122.4620	0.000	1	116.4012	13.435	16	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:3:	3:3:1:	3:3:1:1:	S-4:C-3:C-3:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CCS)(O)	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CCS)(O)	S(C[6a]C[6a]2)(CCC)(O)2	112.9247	1.126	3	112.9247	1.269	3	113.0517	0.910	4	116.4012	13.435	16	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:3:	3:3:1:	3:3:1:1:	S-4:C-3:C-3:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]I)(CC[6a]O)	C(C[6a]C[6a]2)(CCS)(O)	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CC[6a]I)(CC[6a]O)	C(C[6a]C[6a]2)(CCS)(O)	S(C[6a]C[6a]2)(CCC)(O)2	113.4330	0.000	1	113.4330	0.000	1	113.0517	0.910	4	116.4012	13.435	16	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:3:	3:3:1:	3:3:1:1:	S-4:C-3:C-3:	N[6]-3:C-3:H-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CN[6]H)(CNO)	C(N[6]C[6]2)(CCS)(H)	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CN[6]H)(CNO)	C(N[6]C[6]2)(CCS)(H)	S(C[6a]C[6a]2)(CCC)(O)2	114.4970	0.000	1	114.4970	0.000	1	114.4970	0.000	1	116.4012	13.435	16	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:3:	3:3:1:	4:4:3:1:	S-4:C-3:C-3:	N-3:C-3:O-1:	C-4:C-4:C-3:O-1:	C(SCCO)(CNO)(COO)	C(NC[6a]H)(CCS)(O)	S(CH3)2(CCC)(O)	C(SCCO)(CNO)(COO)	C(NC[6a]H)(CCS)(O)	S(CH3)2(CCC)(O)	111.9120	0.885	2	111.9120	0.784	2	111.9120	0.784	2	111.9120	0.784	2	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:3:	3:3:2:	3:3:1:1:	S-4:C-3:C-3:	C-3:C-3:O-2:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CCH)(CCO)	C(CCH)(CCS)(OH)	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CCH)(CCO)	C(CCH)(CCS)(OH)	S(C[6a]C[6a]2)(CCC)(O)2	120.1520	0.314	2	120.1520	0.099	2	120.1520	0.099	2	120.1520	0.099	2	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:3:	3:3:3:	3:3:1:1:	S-4:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]2)(CCN)	C(C[6a]C[6a]2)2(CCS)	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CC[6a]2)(CCN)	C(C[6a]C[6a]2)2(CCS)	S(C[6a]C[6a]2)(CCC)(O)2	121.8135	0.582	2	121.8135	0.339	2	121.8135	0.339	2	121.8135	0.339	2	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:3:	3:3:3:	4:3:1:1:	S-4:C-3:C-3:	C-3:C-3:N-3:	C-4:C-3:O-1:O-1:	C(SCOO)(CCN)(COO)	C(CCS)(COO)(NCN)	S(CCHH)(CCC)(O)2	C(SCOO)(CCN)(COO)	C(CCS)(COO)(NCN)	S(CCHH)(CCC)(O)2	125.6600	0.000	1	125.6600	0.000	1	125.6600	0.000	1	125.6600	0.000	1	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:3:	4:3:1:	3:3:1:1:	S-4:C-3:C-3:	C-4:C-3:O-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]H)(CCO)	C(CH3)(CCS)(O)	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CC[6a]H)(CCO)	C(CH3)(CCS)(O)	S(C[6a]C[6a]2)(CCC)(O)2	112.9020	0.000	1	112.9020	0.000	1	112.9020	0.000	1	112.9020	0.000	1	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:3:	4:3:2:	3:3:1:1:	S-4:C-3:C-3:	C-4:C-3:N-2:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]2)(CCN)	C(CCHH)(CCS)(NO)	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CC[6a]2)(CCN)	C(CCHH)(CCS)(NO)	S(C[6a]C[6a]2)(CCC)(O)2	113.4110	2.053	2	113.4110	4.217	2	113.4110	4.217	2	113.4110	4.217	2	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:4:	3:2:3:	3:3:1:1:	S-4:C-3:C-4:	C[6a]-3:Se-2:C-3:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]Se)(CCHH)	C(C[6a]C[6a]2)(SeC[6a])(CCS)	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CC[6a]Se)(CCHH)	C(C[6a]C[6a]2)(SeC[6a])(CCS)	S(C[6a]C[6a]2)(CCC)(O)2	120.4580	0.000	1	120.4580	0.000	1	120.4580	0.000	1	120.4580	0.000	1	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:4:	3:3:1:	4:3:1:1:	C-4:C-3:S-4:	C[6a]-3:C-3:I-1:	C-4:C-3:O-1:O-1:	C(CC[6a]HO)(CC[6a]I)(SCOO)	C(C[6a]C[6a]2)(CCS)(I)	S(CH3)(CCC)(O)2	C(CC[6a]HO)(CC[6a]I)(SCOO)	C(C[6a]C[6a]2)(CCS)(I)	S(CH3)(CCC)(O)2	120.6520	0.000	1	120.6520	0.000	1	120.6520	0.000	1	120.6520	0.000	1	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:4:	3:3:2:	3:3:1:1:	S-4:C-3:C-4:	C[6a]-3:C-3:C-2:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CCS)(CC)	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CCS)(CC)	S(C[6a]C[6a]2)(CCC)(O)2	120.7225	0.759	4	120.7225	0.577	4	120.7225	0.577	4	120.9356	0.660	5	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:4:	3:3:2:	3:3:1:1:	S-4:C-3:C-4:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(CCS)(OC)	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(CCS)(OC)	S(C[6a]C[6a]2)(CCC)(O)2	121.7880	0.000	1	121.7880	0.000	1	121.7880	0.000	1	120.9356	0.660	5	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:3:4:	3:3:2:	3:4:1:1:	P[5]-4:C-3:S-4:	C[6a]-3:C-3:N-2:	C-3:C-4:O-1:O-1:	C(P[5]C[5,6a]C[6a]O[5])(CC[6a]N)(SCOO)	C(C[6a]C[6a]2)(CP[5]S)(NC[6a])	S(CP[5]C)(CF3)(O)2	C(P[5]C[5,6a]C[6a]O[5])(CC[6a]N)(SCOO)	C(C[6a]C[6a]2)(CP[5]S)(NC[6a])	S(CP[5]C)(CF3)(O)2	125.8550	0.923	2	125.8550	0.853	2	125.8550	0.853	2	125.8550	0.853	2	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:4:3:	3:1:1:	3:3:1:1:	S-4:C-4:C-3:	C-3:H-1:H-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CCHH)(CHH)	C(CCS)(H)2	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CCHH)(CHH)	C(CCS)(H)2	S(C[6a]C[6a]2)(CCC)(O)2	118.2180	0.076	2	118.2180	0.006	2	118.2180	0.006	2	118.2180	0.006	2	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:4:3:	3:3:1:	3:3:1:1:	C-4:S-4:C-3:	C-3:N-3:H-1:	C[6a]-3:C-3:O-1:O-1:	C(CC[5a]CH)(SC[6a]OO)(CHN)	C(CCS)(NCC)(H)	S(C[6a]C[6a]2)(CCC)(O)2	C(CC[5a]CH)(SC[6a]OO)(CHN)	C(CCS)(NCC)(H)	S(C[6a]C[6a]2)(CCC)(O)2	115.8950	0.000	1	115.8950	0.000	1	115.8950	0.000	1	119.0397	33.102	4	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:4:3:	3:3:1:	3:3:1:1:	S-4:C-4:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CCCH)(CCH)	C(CCH)(CCS)(H)	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CCCH)(CCH)	C(CCH)(CCS)(H)	S(C[6a]C[6a]2)(CCC)(O)2	116.4900	0.000	1	116.4900	0.000	1	116.4900	0.000	1	119.0397	33.102	4	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:4:3:	3:3:1:	3:3:1:1:	S-4:S-4:C-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)2(CC[6a]H)	C(C[6a]C[6a]2)(CSS)(H)	S(C[6a]C[6a]2)(CCS)(O)2	C(SC[6a]OO)2(CC[6a]H)	C(C[6a]C[6a]2)(CSS)(H)	S(C[6a]C[6a]2)(CCS)(O)2	121.8870	8.167	2	121.8870	66.701	2	121.8870	66.701	2	119.0397	33.102	4	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:4:3:	4:3:1:	3:3:1:1:	C-4:S-4:C-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(CCHO)(CCS)(H)	S(C[6a]C[6a]2)(CCC)(O)2	C(CN[5a]CH)(SC[6a]OO)(CCH)	C(CCHO)(CCS)(H)	S(C[6a]C[6a]2)(CCC)(O)2	117.3500	0.000	1	117.3500	0.000	1	117.3500	0.000	1	116.6647	1.995	18	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:4:3:	4:3:1:	3:3:1:1:	S-4:C-4:C-3:	C-4:C-3:H-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CCCH)(CCH)	C(CCHH)(CCS)(H)	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CCCH)(CCH)	C(CCHH)(CCS)(H)	S(C[6a]C[6a]2)(CCC)(O)2	116.3067	0.692	9	116.3067	0.479	9	116.6244	2.088	17	116.6647	1.995	18	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:4:3:	4:3:1:	3:3:1:1:	S-4:C-4:C-3:	C-4:C-3:H-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CCCH)(CCH)	C(CCHO)(CCS)(H)	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CCCH)(CCH)	C(CCHO)(CCS)(H)	S(C[6a]C[6a]2)(CCC)(O)2	116.3276	0.783	7	116.3276	0.614	7	116.6244	2.088	17	116.6647	1.995	18	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:4:3:	4:3:1:	3:3:1:1:	S-4:C-4:C-3:	C-4:C-3:H-1:	C[6a]-3:C-3:O-1:O-1:	C(SC[6a]OO)(CCHH)(CCH)	C(CCHO)(CCS)(H)	S(C[6a]C[6a]2)(CCC)(O)2	C(SC[6a]OO)(CCHH)(CCH)	C(CCHO)(CCS)(H)	S(C[6a]C[6a]2)(CCC)(O)2	121.5610	0.000	1	121.5610	0.000	1	116.6244	2.088	17	116.6647	1.995	18	120.4064	18.854	209	120.4064	18.854	209
930	930	952	0:SP2_SP2_SP3	C	C	S	4:4:3:	4:3:1:	3:3:2:1:	S-4:Si-4:C-3:	C-4:C-3:H-1:	C[6a]-3:C-3:N-2:O-1:	C(SC[6a]NO)(SiC3)(CCH)	C(CCCH)(CSiS)(H)	S(C[6a]C[6a]2)(CSiC)(NS)(O)	C(SC[6a]NO)(SiC3)(CCH)	C(CCCH)(CSiS)(H)	S(C[6a]C[6a]2)(CSiC)(NS)(O)	117.2790	0.426	2	117.2790	0.181	2	117.2790	0.181	2	117.2790	0.181	2	120.4064	18.854	209	120.4064	18.854	209
930	930	953	0:SP2_SP-NON_SP2	C	C	I	2:3:1:	3:2:1:	3:3:	I-2:C-3:H-1:	C-3:O-2:H-1:	C[6a]-3:C-3:	C(IC[6a])(CHO)(H)	C(CHI)(OS)(H)	I(C[6a]C[6a]2)(CCH)	C(IC[6a])(CHO)(H)	C(CHI)(OS)(H)	I(C[6a]C[6a]2)(CCH)	120.5400	0.000	1	120.5400	0.000	1	120.5400	0.000	1	120.5400	0.000	1	120.3397	13.989	21	120.3397	13.989	21
930	930	953	0:SP2_SP-NON_SP2	C	C	I	2:3:1:	3:3:1:	3:3:	I-2:C-3:H-1:	C-3:N-3:H-1:	C[6a]-3:C-3:	C(IC[6a])(CHN)(H)	C(CHI)(NCO)(H)	I(C[6a]C[6a]2)(CCH)	C(IC[6a])(CHN)(H)	C(CHI)(NCO)(H)	I(C[6a]C[6a]2)(CCH)	130.4720	0.000	1	130.4720	0.000	1	130.4720	0.000	1	130.4720	0.000	1	120.3397	13.989	21	120.3397	13.989	21
930	930	953	0:SP2_SP-NON_SP2	C	C	I	2:3:1:	3:4:3:	3:3:	I-2:C-3:H-1:	N-3:C-4:C-3:	C[6a]-3:C-3:	C(IC[6a])(CCN)(H)	C(NC[6a]S)(CH3)(CHI)	I(C[6a]C[6a]2)(CCH)	C(IC[6a])(CCN)(H)	C(NC[6a]S)(CH3)(CHI)	I(C[6a]C[6a]2)(CCH)	123.0470	0.000	1	123.0470	0.000	1	123.0470	0.000	1	123.0470	0.000	1	120.3397	13.989	21	120.3397	13.989	21
930	930	953	0:SP2_SP-NON_SP2	C	C	I	2:3:1:	4:3:1:	3:3:	I-2:C-3:H-1:	C-4:C-3:Cl-1:	C[6a]-3:C-3:	C(IC[6a])(CClC)(H)	C(CCHH)(CHI)(Cl)	I(C[6a]C[6a]2)(CCH)	C(IC[6a])(CClC)(H)	C(CCHH)(CHI)(Cl)	I(C[6a]C[6a]2)(CCH)	121.1670	0.000	1	121.1670	0.000	1	121.7270	0.627	2	121.7270	0.627	2	120.3397	13.989	21	120.3397	13.989	21
930	930	953	0:SP2_SP-NON_SP2	C	C	I	2:3:1:	4:3:1:	3:3:	I-2:C-3:H-1:	C-4:C-3:Cl-1:	C[6a]-3:C-3:	C(IC[6a])(CClC)(H)	C(CC[5]HH)(CHI)(Cl)	I(C[6a]C[6a]2)(CCH)	C(IC[6a])(CClC)(H)	C(CC[5]HH)(CHI)(Cl)	I(C[6a]C[6a]2)(CCH)	122.2870	0.000	1	122.2870	0.000	1	121.7270	0.627	2	121.7270	0.627	2	120.3397	13.989	21	120.3397	13.989	21
930	930	953	0:SP2_SP-NON_SP2	C	C	I	2:3:1:	4:3:2:	3:3:	I-2:C-3:H-1:	C-4:C-3:O-2:	C[6a]-3:C-3:	C(IC[6a])(CCO)(H)	C(CBrHH)(CHI)(OS)	I(C[6a]C[6a]2)(CCH)	C(IC[6a])(CCO)(H)	C(CBrHH)(CHI)(OS)	I(C[6a]C[6a]2)(CCH)	121.8540	0.000	1	121.8540	0.000	1	121.9513	0.014	3	121.9513	0.014	3	120.3397	13.989	21	120.3397	13.989	21
930	930	953	0:SP2_SP-NON_SP2	C	C	I	2:3:1:	4:3:2:	3:3:	I-2:C-3:H-1:	C-4:C-3:O-2:	C[6a]-3:C-3:	C(IC[6a])(CCO)(H)	C(CCHH)(CHI)(OS)	I(C[6a]C[6a]2)(CCH)	C(IC[6a])(CCO)(H)	C(CCHH)(CHI)(OS)	I(C[6a]C[6a]2)(CCH)	122.0000	0.116	2	122.0000	0.013	2	121.9513	0.014	3	121.9513	0.014	3	120.3397	13.989	21	120.3397	13.989	21
930	930	953	0:SP2_SP-NON_SP2	C	C	I	2:3:1:	4:4:3:	3:3:	I-2:C-3:H-1:	C-4:C-4:C-3:	C[6a]-3:C-3:	C(IC[6a])(CCC)(H)	C(CCHH)(CH3)(CHI)	I(C[6a]C[6a]2)(CCH)	C(IC[6a])(CCC)(H)	C(CCHH)(CH3)(CHI)	I(C[6a]C[6a]2)(CCH)	122.6360	0.078	2	122.6360	0.006	2	122.6360	0.006	2	122.6360	0.006	2	120.3397	13.989	21	120.3397	13.989	21
930	930	953	0:SP2_SP-NON_SP2	C	C	I	2:3:3:	3:2:1:	3:3:	I-2:C-3:C-3:	C-3:O-2:O-1:	C[6a]-3:C-3:	C(IC[6a])(COO)2	C(CCI)(OC)(O)	I(C[6a]C[6a]2)(CCC)	C(IC[6a])(COO)2	C(CCI)(OC)(O)	I(C[6a]C[6a]2)(CCC)	115.8390	3.657	2	115.8390	13.375	2	115.8390	13.375	2	115.8390	13.375	2	120.3397	13.989	21	120.3397	13.989	21
930	930	953	0:SP2_SP-NON_SP2	C	C	I	2:4:3:	4:3:1:	3:3:	I-2:C-4:C-3:	C-4:C-3:Cl-1:	C[6a]-3:C-3:	C(IC[6a])(CCHH)(CClC)	C(CCHH)(CCI)(Cl)	I(C[6a]C[6a]2)(CCC)	C(IC[6a])(CCHH)(CClC)	C(CCHH)(CCI)(Cl)	I(C[6a]C[6a]2)(CCC)	116.5790	0.000	1	116.5790	0.000	1	116.5790	0.000	1	116.5790	0.000	1	120.3397	13.989	21	120.3397	13.989	21
930	930	953	0:SP2_SP-NON_SP2	C	C	I	2:4:3:	4:3:2:	3:3:	I-2:C-4:C-3:	C-4:C-3:O-2:	C[6a]-3:C-3:	C(IC[6a])(CCCH)(CCO)	C(CH3)(CCI)(OC)	I(C[6a]C[6a]2)(CCC)	C(IC[6a])(CCCH)(CCO)	C(CH3)(CCI)(OC)	I(C[6a]C[6a]2)(CCC)	119.1630	0.000	1	119.1630	0.000	1	119.1630	0.000	1	119.1630	0.000	1	120.3397	13.989	21	120.3397	13.989	21
930	930	953	0:SP2_SP-NON_SP2	C	C	I	3:2:1:	3:3:2:	3:3:	C-3:I-2:H-1:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:	C(CC[6a]O)(IC[6a])(H)	C(C[6a]C[6a]2)(CHI)(OS)	I(C[6a]C[6a]2)(CCH)	C(CC[6a]O)(IC[6a])(H)	C(C[6a]C[6a]2)(CHI)(OS)	I(C[6a]C[6a]2)(CCH)	121.7915	0.247	2	121.7915	0.061	2	121.7915	0.061	2	121.7915	0.061	2	120.3397	13.989	21	120.3397	13.989	21
930	930	953	0:SP2_SP-NON_SP2	C	C	I	3:2:3:	3:2:1:	3:3:	C-3:I-2:C-3:	C-3:O-2:O-1:	C[6a]-3:C-3:	C(CC[6a]O)(IC[6a])(COO)	C(CCI)(OC)(O)	I(C[6a]C[6a]2)(CCC)	C(CC[6a]O)(IC[6a])(COO)	C(CCI)(OC)(O)	I(C[6a]C[6a]2)(CCC)	117.7090	0.000	1	117.7090	0.000	1	117.7090	0.000	1	117.0580	0.848	2	120.3397	13.989	21	120.3397	13.989	21
930	930	953	0:SP2_SP-NON_SP2	C	C	I	3:2:3:	3:2:1:	3:3:	C[6a]-3:I-2:C-3:	C-3:O-2:H-1:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(IC[6a])(CHO)	C(CC[6a]I)(OC)(H)	I(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(IC[6a])(CHO)	C(CC[6a]I)(OC)(H)	I(C[6a]C[6a]2)(CC[6a]C)	116.4070	0.000	1	116.4070	0.000	1	116.4070	0.000	1	117.0580	0.848	2	120.3397	13.989	21	120.3397	13.989	21
930	930	953	0:SP2_SP-NON_SP2	C	C	I	3:2:3:	3:3:1:	3:3:	C-3:I-2:C-3:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:	C(CC[6a]O)(IC[6a])(COO)	C(C[6a]C[6a]2)(CCI)(O)	I(C[6a]C[6a]2)(CCC)	C(CC[6a]O)(IC[6a])(COO)	C(C[6a]C[6a]2)(CCI)(O)	I(C[6a]C[6a]2)(CCC)	113.2220	0.000	1	113.2220	0.000	1	113.2220	0.000	1	113.2220	0.000	1	120.3397	13.989	21	120.3397	13.989	21
930	930	953	0:SP2_SP-NON_SP2	C	C	I	3:2:4:	3:3:2:	3:3:	C-3:I-2:C-4:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:	C(CC[6a]O)(IC[6a])(CH3)	C(C[6a]C[6a]2)(CCI)(OC)	I(C[6a]C[6a]2)(CCC)	C(CC[6a]O)(IC[6a])(CH3)	C(C[6a]C[6a]2)(CCI)(OC)	I(C[6a]C[6a]2)(CCC)	120.1650	0.000	1	120.1650	0.000	1	120.1650	0.000	1	120.1650	0.000	1	120.3397	13.989	21	120.3397	13.989	21
930	930	953	0:SP2_SP-NON_SP2	C	C	I	4:2:3:	3:2:1:	3:3:	P-4:I-2:C-3:	C-3:O-2:O-1:	C[6a]-3:C-3:	C(PC[6a]3)(IC[6a])(COO)	C(CIP)(OC)(O)	I(C[6a]C[6a]2)(CCP)	C(PC[6a]3)(IC[6a])(COO)	C(CIP)(OC)(O)	I(C[6a]C[6a]2)(CCP)	119.9890	0.000	1	119.9890	0.000	1	119.9890	0.000	1	119.9890	0.000	1	120.3397	13.989	21	120.3397	13.989	21
930	930	955	0:SP2_SP2_SP3	C	C	P[5]	4:3:3:	3:2:1:	3:3:3:3:	P[5]-4:C-3:C-3:	C-3:O-2:O-1:	C[6a]-3:C[5]-3:C[5]-3:C-3:	C(P[5]C[6a]C[5]2)(CCO)(COO)	C(CP[5]C)(OC)(O)	P[5](C[6a]C[6a]2)(C[5]C[5]H)2(CCC)	C(P[5]C[6a]C[5]2)(CCO)(COO)	C(CP[5]C)(OC)(O)	P[5](C[6a]C[6a]2)(C[5]C[5]H)2(CCC){2|C<3>,2|C<4>,2|H<1>}	120.0670	0.000	1	120.0670	0.000	1	120.0670	0.000	1	120.0670	0.000	1	111.0885	115.356	5	111.0885	115.356	5
930	930	955	0:SP2_SP2_SP3	C	C	P[5]	4:3:3:	3:3:1:	3:3:3:3:	P[5]-4:C-3:C-3:	C-3:C-3:O-1:	C[6a]-3:C[5]-3:C[5]-3:C-3:	C(P[5]C[6a]C[5]2)(CCO)(COO)	C(CP[5]C)(COO)(O)	P[5](C[6a]C[6a]2)(C[5]C[5]H)2(CCC)	C(P[5]C[6a]C[5]2)(CCO)(COO)	C(CP[5]C)(COO)(O)	P[5](C[6a]C[6a]2)(C[5]C[5]H)2(CCC){2|C<3>,2|C<4>,2|H<1>}	117.5250	0.000	1	117.5250	0.000	1	117.5250	0.000	1	117.5250	0.000	1	111.0885	115.356	5	111.0885	115.356	5
930	930	955	0:SP2_SP2_SP3	C	C	P[5]	4:3:4:	3:3:2:	3:3:2:3:	P[5]-4:C-3:S-4:	C[6a]-3:C-3:N-2:	C[5,6a]-3:C[6a]-3:O[5]-2:C-3:	C(P[5]C[5,6a]C[6a]O[5])(CC[6a]N)(SCOO)	C(C[6a]C[6a]2)(CP[5]S)(NC[6a])	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CCS)	C(P[5]C[5,6a]C[6a]O[5])(CC[6a]N)(SCOO)	C(C[6a]C[6a]2)(CP[5]S)(NC[6a])	P[5](C[5,6a]C[5,6a]C[6a])(C[6a]C[6a]2)(O[5]C[5])(CCS){1|H<1>,4|C<3>,4|C<4>}	99.3723	0.749	2	99.3723	0.561	2	99.3723	0.561	2	99.3723	0.561	2	111.0885	115.356	5	111.0885	115.356	5
930	930	955	0:SP2_SP2_SP3	C	C	P[5]	4:4:3:	3:1:1:	3:3:3:1:	P[5]-4:C-4: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)(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)(H)2	P[5](N[5]C[6a]C[5])2(CCC)(O){4|C<3>,4|H<1>}	119.1060	0.000	1	119.1060	0.000	1	119.1060	0.000	1	119.1060	0.000	1	111.0885	115.356	5	111.0885	115.356	5
930	930	956	0:SP2_SP2_SP2	C	C	N	2:3:3:	2:2:3:	4:4:3:	Se-2:C-3:N-3:	Se-2:Se-2:C-3:	S-4:S-4:C-3:	C(SeC[6a])(CSe2)(NSS)	C(SeC[6a])2(CSeN)	N(SC[6a]OO)2(CSeC)	C(SeC[6a])(CSe2)(NSS)	C(SeC[6a])2(CSeN)	N(SC[6a]OO)2(CSeC)	121.2010	0.000	1	121.2010	0.000	1	121.2010	0.000	1	121.2010	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	2:3:3:	2:3:3:	4:3:1:	N-2:C-3:N-3:	N-2:C-3:N-3:	C-4:C-3:H-1:	C(NC[6a])(CNN)(NCH)	C(NC[6a])(CNN)(NCH)	N(CCHH)(CCN)(H)	C(NC[6a])(CNN)(NCH)	C(NC[6a])(CNN)(NCH)	N(CCHH)(CCN)(H)	113.4680	0.031	2	113.4680	0.001	2	113.4680	0.001	2	113.4680	0.001	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	2:3:3:	3:2:1:	4:4:3:	C-2:C-3:N-3:	C-3:C-2:O-1:	S-4:S-4:C-3:	C(CC[6a])(CCO)(NSS)	C(CCN)(CC)(O)	N(SC[6a]OO)2(CCC)	C(CC[6a])(CCO)(NSS)	C(CCN)(CC)(O)	N(SC[6a]OO)2(CCC)	114.4380	0.000	1	114.4380	0.000	1	114.4380	0.000	1	114.4380	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	2:3:3:	4:3:1:	4:4:3:	N-2:C-3:N-3:	C-4:C-3:O-1:	S-4:C-4:C-3:	C(NC[6a])(CCO)(NCS)	C(CC3)(CNN)(O)	N(SCOO)(CH3)(CCN)	C(NC[6a])(CCO)(NCS)	C(CC3)(CNN)(O)	N(SCOO)(CH3)(CCN)	119.2240	0.000	1	119.2240	0.000	1	119.2240	0.000	1	119.2240	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	2:3:3:	4:3:3:	4:4:3:	O-2:C-3:N-3:	C-4:C-3:C-3:	S-4:C-4:C-3:	C(OC[6a])(CCC)(NCS)	C(CCHH)(CCH)(CNO)	N(SCOO)(CH3)(CCO)	C(OC[6a])(CCC)(NCS)	C(CCHH)(CCH)(CNO)	N(SCOO)(CH3)(CCO)	124.1815	0.433	2	124.1815	0.188	2	124.1815	0.188	2	124.1815	0.188	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:2:3:	3:3:1:	3:3:1:	N-3:N-2:C-3:	N-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NC[6a])(CNO)	C(NC[6a]H)(CNN)(O)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NC[6a])(CNO)	C(NC[6a]H)(CNN)(O)	N(C[6a]C[6a]2)(CCN)(H)	112.8830	1.798	4	112.8830	3.232	4	112.8830	3.232	4	112.8830	3.232	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	2:3:1:	3:3:1:	N-3:C-3:H-1:	N-2:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHN)(H)	C(NC[6a])(CHN)(H)	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CHN)(H)	C(NC[6a])(CHN)(H)	N(C[6a]C[6a]2)(CCH)(H)	117.8900	0.051	2	117.8900	0.003	2	117.8900	0.003	2	116.0617	10.030	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	2:3:1:	3:3:1:	N-3:C-3:O-1:	N-2:C-3:O-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CNO)(O)	C(NC[6a])(CNO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CNO)(O)	C(NC[6a])(CNO)(O)	N(C[6a]C[6a]2)(CCO)(H)	112.4050	0.000	1	112.4050	0.000	1	112.4050	0.000	1	116.0617	10.030	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	2:3:1:	3:3:2:	C-3:N-3:H-1:	I-2:C-3:H-1:	C-3:C-3:O-2:	C(CHI)(NCO)(H)	C(IC[6a])(CHN)(H)	N(CC[6a]O)(CCH)(OC)	C(CHI)(NCO)(H)	C(IC[6a])(CHN)(H)	N(CC[6a]O)(CCH)(OC)	129.9640	0.000	1	129.9640	0.000	1	129.9640	0.000	1	129.9640	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	2:3:1:	3:3:3:	C-3:N-3:O-1:	O-2:C-3:O-1:	C-3:C-3:N-3:	C(COO)(NCN)(O)	C(OC[6a])(CNO)(O)	N(CC[6a]O)(CCO)(NCC)	C(COO)(NCN)(O)	C(OC[6a])(CNO)(O)	N(CC[6a]O)(CCO)(NCC)	117.2490	0.000	1	117.2490	0.000	1	117.2490	0.000	1	117.2490	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	2:3:1:	3:4:3:	N-3:C-3:H-1:	N-2:C-3:H-1:	C[6a]-3:Ga-4:C-3:	C(NC[6a]Ga)(CHN)(H)	C(NC[6a])(CHN)(H)	N(C[6a]C[6a]2)(GaCl2C)(CCH)	C(NC[6a]Ga)(CHN)(H)	C(NC[6a])(CHN)(H)	N(C[6a]C[6a]2)(GaCl2C)(CCH)	124.0080	0.000	1	124.0080	0.000	1	124.4310	0.180	4	124.4310	0.180	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	2:3:1:	3:4:3:	N-3:C-3:H-1:	N-2:C-3:H-1:	C[6a]-3:Ga-4:C-3:	C(NC[6a]Ga)(CHN)(H)	C(NC[6a])(CHN)(H)	N(C[6a]C[6a]2)(GaCl3)(CCH)	C(NC[6a]Ga)(CHN)(H)	C(NC[6a])(CHN)(H)	N(C[6a]C[6a]2)(GaCl3)(CCH)	124.7670	0.269	2	124.7670	0.072	2	124.4310	0.180	4	124.4310	0.180	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	2:3:1:	3:4:3:	N-3:C-3:H-1:	N-2:C-3:H-1:	C[6a]-3:Ga-4:C-3:	C(NC[6a]Ga)(CHN)(H)	C(NC[6a])(CHN)(H)	N(C[6a]C[6a]2)(GaClCC)(CCH)	C(NC[6a]Ga)(CHN)(H)	C(NC[6a])(CHN)(H)	N(C[6a]C[6a]2)(GaClCC)(CCH)	124.1820	0.000	1	124.1820	0.000	1	124.4310	0.180	4	124.4310	0.180	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	2:3:1:	4:3:3:	N-3:C-3:H-1:	N-2:C-3:H-1:	C[3x6]-4:C-3:C-3:	C(NC[3x6]C)(CHN)(H)	C(NC[6a])(CHN)(H)	N(C[3x6]C[6,6]3)(CCH)(CHO)	C(NC[3x6]C)(CHN)(H)	C(NC[6a])(CHN)(H)	N(C[3x6]C[6,6]3)(CCH)(CHO)	126.2640	0.000	1	126.2640	0.000	1	126.2640	0.000	1	126.2640	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	2:3:1:	4:4:3:	C-3:N-3:O-1:	S-2:C-3:O-1:	C-4:C-4:C-3:	C(COS)(NCC)(O)	C(SC[6a])(CNO)(O)	N(CH3)2(CCO)	C(COS)(NCC)(O)	C(SC[6a])(CNO)(O)	N(CH3)2(CCO)	116.8660	0.000	1	116.8660	0.000	1	116.8660	0.000	1	116.8660	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	2:3:3:	3:3:1:	N-3:C-3:O-1:	N-2:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCN)(O)	C(NC[6a])(CCH)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCN)(O)	C(NC[6a])(CCH)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	112.0930	0.000	1	112.0930	0.000	1	112.0670	0.001	2	112.0670	0.001	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	2:3:3:	3:3:1:	N-3:C-3:O-1:	N-2:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCN)(O)	C(NC[6a])(CCO)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCN)(O)	C(NC[6a])(CCO)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	112.0410	0.000	1	112.0410	0.000	1	112.0670	0.001	2	112.0670	0.001	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	2:3:3:	4:4:3:	C-3:N-3:O-1:	S-2:C-3:C-3:	C-4:S-4:C-3:	C(CCS)(NCS)(O)	C(SC[6a])(CCH)(CNO)	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(CCS)(NCS)(O)	C(SC[6a])(CCH)(CNO)	N(CC[6a]HH)(SC[6a]OO)(CCO)	117.5950	0.000	1	117.5950	0.000	1	117.5950	0.000	1	117.5950	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:1:1:	3:1:1:	C-3:N-3:O-1:	C-3:O-1:O-1:	C-3:H-1:H-1:	C(COO)(NHH)(O)	C(CNO)(O)2	N(CCO)(H)2	C(COO)(NHH)(O)	C(CNO)(O)2	N(CCO)(H)2	116.1242	0.299	5	116.1242	0.089	5	116.1242	0.089	5	116.1242	0.089	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:1:1:	3:3:1:	C-3:N-3:H-1:	C-3:I-1:I-1:	C-3:C-3:H-1:	C(CII)(NCH)(H)	C(CHN)(I)2	N(CC[6]O)(CCH)(H)	C(CII)(NCH)(H)	C(CHN)(I)2	N(CC[6]O)(CCH)(H)	124.4890	0.000	1	124.4890	0.000	1	124.4890	0.000	1	115.4266	26.525	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:1:1:	3:3:1:	N-3:C-3:O-1:	C-3:H-1:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHH)(O)	C(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHH)(O)	C(CNO)(H)2	N(C[6a]C[6a]2)(CCO)(H)	113.9840	0.727	2	113.9840	0.528	2	113.9840	0.528	2	115.4266	26.525	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:1:1:	3:3:1:	N-3:C-3:O-1:	C-3:O-1:O-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(COO)(O)	C(CNO)(O)2	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(COO)(O)	C(CNO)(O)2	N(C[6a]C[6a]2)(CCO)(H)	112.3380	0.453	2	112.3380	0.205	2	112.3380	0.205	2	115.4266	26.525	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:1:1:	3:4:3:	N-3:C-3:H-1:	C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHH)(H)	C(CHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CCH)	C(NC[6a]C)(CHH)(H)	C(CHN)(H)2	N(C[6a]C[6a]2)(CCHH)(CCH)	98.8402	0.000	1	98.8402	0.000	1	98.8402	0.000	1	98.8402	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:1:1:	4:3:1:	C-3:N-3:O-1:	C-3:H-1:H-1:	C-4:C-3:H-1:	C(CHH)(NCH)(O)	C(CNO)(H)2	N(CCCH)(CCO)(H)	C(CHH)(NCH)(O)	C(CNO)(H)2	N(CCCH)(CCO)(H)	114.6640	0.000	1	114.6640	0.000	1	114.6640	0.000	1	115.1280	0.341	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:1:1:	4:3:1:	C-3:N-3:O-1:	C-3:O-1:O-1:	C-4:C-3:H-1:	C(COO)(NCH)(O)	C(CNO)(O)2	N(CCCH)(CCO)(H)	C(COO)(NCH)(O)	C(CNO)(O)2	N(CCCH)(CCO)(H)	114.9360	0.000	1	114.9360	0.000	1	114.9360	0.000	1	115.1280	0.341	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:1:1:	4:3:1:	N-3:C-3:O-1:	C-3:H-1:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CHH)(O)	C(CNO)(H)2	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CHH)(O)	C(CNO)(H)2	N(C[6]C[6]2H)(CCO)(H)	115.7840	0.000	1	115.7840	0.000	1	115.7840	0.000	1	115.1280	0.341	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:1:1:	4:3:3:	C-3:N-3:Cl-1:	C-3:H-1:H-1:	C-4:C-3:C-3:	C(CHH)(NCC)(Cl)	C(CClN)(H)2	N(CCHH)(CClC)(CCN)	C(CHH)(NCC)(Cl)	C(CClN)(H)2	N(CCHH)(CClC)(CCN)	124.6650	0.000	1	124.6650	0.000	1	124.6650	0.000	1	126.1650	4.500	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:1:1:	4:3:3:	C-3:N-3:H-1:	C-3:I-1:I-1:	C-4:C-3:C-3:	C(CII)(NCC)(H)	C(CHN)(I)2	N(CCHH)(CCH)(CCO)	C(CII)(NCC)(H)	C(CHN)(I)2	N(CCHH)(CCH)(CCO)	127.6650	0.000	1	127.6650	0.000	1	127.6650	0.000	1	126.1650	4.500	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:1:1:	4:4:3:	C-3:N-3:Cl-1:	C-3:Cl-1:H-1:	C-4:S-4:C-3:	C(CClH)(NCS)(Cl)	C(CClN)(Cl)(H)	N(CC[6a]HH)(SC[6a]OO)(CClC)	C(CClH)(NCS)(Cl)	C(CClN)(Cl)(H)	N(CC[6a]HH)(SC[6a]OO)(CClC)	125.2610	0.000	1	125.2610	0.000	1	125.2610	0.000	1	119.9690	24.675	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:1:1:	4:4:3:	C-3:N-3:O-1:	C-3:Cl-1:O-1:	S-4:S-4:C-3:	C(CClO)(NSS)(O)	C(CNO)(Cl)(O)	N(SCOO)2(CCO)	C(CClO)(NSS)(O)	C(CNO)(Cl)(O)	N(SCOO)2(CCO)	115.4070	0.000	1	115.4070	0.000	1	115.4070	0.000	1	119.9690	24.675	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:1:1:	4:4:3:	C-3:N-3:O-1:	C-3:H-1:H-1:	C-4:C-4:C-3:	C(CHH)(NCC)(O)	C(CNO)(H)2	N(CCHH)(CH3)(CCO)	C(CHH)(NCC)(O)	C(CNO)(H)2	N(CCHH)(CH3)(CCO)	119.2390	0.000	1	119.2390	0.000	1	119.2390	0.000	1	119.9690	24.675	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:1:	3:1:1:	C-3:N-3:H-1:	C-3:N-2:O-1:	C-3:O-1:O-1:	C(CNO)(NOO)(H)	C(CHN)(NH)(O)	N(CCH)(O)2	C(CNO)(NOO)(H)	C(CHN)(NH)(O)	N(CCH)(O)2	126.9280	0.000	1	126.9280	0.000	1	126.9280	0.000	1	120.3650	86.146	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:1:	3:1:1:	C-3:N-3:O-1:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(COO)(NHH)(O)	C(CNO)(OH)(O)	N(CCO)(H)2	C(COO)(NHH)(O)	C(CNO)(OH)(O)	N(CCO)(H)2	113.8020	0.000	1	113.8020	0.000	1	113.8020	0.000	1	120.3650	86.146	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:1:	3:2:1:	C-3:N-3:H-1:	C-3:C-2:H-1:	C-3:N-2:H-1:	C(CCH)(NHN)(H)	C(CHN)(CH)(H)	N(CCH)(NH)(H)	C(CCH)(NHN)(H)	C(CHN)(CH)(H)	N(CCH)(NH)(H)	112.0990	0.000	1	112.0990	0.000	1	112.0990	0.000	1	112.0990	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:1:	3:3:1:	C-3:N-3:O-1:	C-3:O-2:O-1:	C-3:C-3:H-1:	C(COO)(NCH)(O)	C(CNO)(OC)(O)	N(CCO)(CNO)(H)	C(COO)(NCH)(O)	C(CNO)(OC)(O)	N(CCO)(CNO)(H)	111.3250	0.000	1	111.3250	0.000	1	110.5780	1.116	2	111.7905	1.272	42	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:1:	3:3:1:	C-3:N-3:O-1:	C-3:O-2:O-1:	C-3:C-3:H-1:	C(COO)(NCH)(O)	C(CNO)(OC)(O)	N(CCO)(COO)(H)	C(COO)(NCH)(O)	C(CNO)(OC)(O)	N(CCO)(COO)(H)	109.8310	0.000	1	109.8310	0.000	1	110.5780	1.116	2	111.7905	1.272	42	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:1:	3:3:1:	N-3:C-3:O-1:	C-3:C-2:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCH)(O)	C(CNO)(CC)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCH)(O)	C(CNO)(CC)(H)	N(C[6a]C[6a]2)(CCO)(H)	114.5260	0.000	1	114.5260	0.000	1	114.5260	0.000	1	111.7905	1.272	42	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:1:	3:3:1:	N-3:C-3:O-1:	C-3:N-2:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHN)(O)	C(CNO)(NO)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHN)(O)	C(CNO)(NO)(H)	N(C[6a]C[6a]2)(CCO)(H)	113.9213	1.559	3	113.9213	2.429	3	113.9213	2.429	3	111.7905	1.272	42	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:1:	3:3:1:	N-3:C-3:O-1:	C-3:O-2:O-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(COO)(O)	C(CNO)(OC)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(COO)(O)	C(CNO)(OC)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	110.7265	0.960	2	110.7265	0.921	2	111.6043	0.597	36	111.7905	1.272	42	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:1:	3:3:1:	N-3:C-3:O-1:	C-3:O-2:O-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(COO)(O)	C(CNO)(OC)(O)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(COO)(O)	C(CNO)(OC)(O)	N(C[6a]C[6a]2)(CCO)(H)	111.6358	0.748	33	111.6358	0.559	33	111.6043	0.597	36	111.7905	1.272	42	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:1:	3:3:1:	N-3:C-3:O-1:	C-3:O-2:O-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(COO)(O)	C(CNO)(OH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(COO)(O)	C(CNO)(OH)(O)	N(C[6a]C[6a]2)(CCO)(H)	112.3220	0.000	1	112.3220	0.000	1	111.6043	0.597	36	111.7905	1.272	42	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:1:	3:4:3:	N-3:C-3:O-1:	C-3:O-2:O-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(COO)(O)	C(CNO)(OC)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(COO)(O)	C(CNO)(OC)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	116.8820	0.000	1	116.8820	0.000	1	116.8820	0.000	1	116.8820	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:1:	4:3:1:	C-3:N-3:H-1:	C-3:O-2:O-1:	C-4:C-3:O-1:	C(COO)(NCO)(H)	C(CHN)(OC)(O)	N(CC[6a]CH)(CCH)(O)	C(COO)(NCO)(H)	C(CHN)(OC)(O)	N(CC[6a]CH)(CCH)(O)	123.0860	0.000	1	123.0860	0.000	1	123.0860	0.000	1	116.0312	13.241	6	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:1:	4:3:1:	C-3:N-3:S-1:	C-3:O-2:O-1:	C-4:C-3:H-1:	C(COO)(NCH)(S)	C(CNS)(OC)(O)	N(CC[6a]CH)(CCS)(H)	C(COO)(NCH)(S)	C(CNS)(OC)(O)	N(CC[6a]CH)(CCS)(H)	115.1540	0.157	2	115.1540	0.025	2	115.1540	0.025	2	116.0312	13.241	6	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:1:	4:3:1:	N-3:C-3:O-1:	C-3:O-2:O-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(COO)(O)	C(CNO)(OC)(O)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(COO)(O)	C(CNO)(OC)(O)	N(C[6]C[6]2H)(CCO)(H)	112.4380	0.000	1	112.4380	0.000	1	112.4380	0.000	1	116.0312	13.241	6	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:1:	4:3:1:	N-3:C-3:S-1:	C-3:O-2:O-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(COO)(S)	C(CNS)(OC)(O)	N(C[6]C[6]2H)(CCS)(H)	C(NC[6]H)(COO)(S)	C(CNS)(OC)(O)	N(C[6]C[6]2H)(CCS)(H)	115.1775	0.709	2	115.1775	0.503	2	115.1775	0.503	2	116.0312	13.241	6	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:1:	4:3:2:	C-3:N-3:H-1:	C-3:N-2:H-1:	C-4:C-3:C-2:	C(CHN)(NCC)(H)	C(CHN)(NC)(H)	N(CH3)(CCH)(CH)	C(CHN)(NCC)(H)	C(CHN)(NC)(H)	N(CH3)(CCH)(CH)	112.2090	0.000	1	112.2090	0.000	1	112.2090	0.000	1	112.2090	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:1:	4:4:3:	N-3:C-3:O-1:	C-3:O-2:O-1:	C[6]-4:S-4:C-3:	C(NC[6]S)(COO)(O)	C(CNO)(OC)(O)	N(C[6]C[6]2H)(SC[6a]OO)(CCO)	C(NC[6]S)(COO)(O)	C(CNO)(OC)(O)	N(C[6]C[6]2H)(SC[6a]OO)(CCO)	117.9190	0.000	1	117.9190	0.000	1	117.9190	0.000	1	117.9190	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:2:	3:1:1:	C-3:N-3:H-1:	C-3:S-2:S-2:	C-3:O-1:O-1:	C(CSS)(NOO)(H)	C(CHN)(SNi)2	N(CCH)(O)2	C(CSS)(NOO)(H)	C(CHN)(SNi)2	N(CCH)(O)2	122.3290	0.000	1	122.3290	0.000	1	122.3290	0.000	1	118.6939	2.198	28	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:2:	3:1:1:	C-3:N-3:O-1:	C-3:C-2:C-2:	C-3:H-1:H-1:	C(CCC)(NHH)(O)	C(CNO)(CN)2	N(CCO)(H)2	C(CCC)(NHH)(O)	C(CNO)(CN)2	N(CCO)(H)2	119.1615	0.715	21	119.1615	0.511	21	119.1615	0.511	21	118.6939	2.198	28	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:2:	3:1:1:	C-3:N-3:O-1:	C-3:C-2:N-2:	C-3:H-1:H-1:	C(CCN)(NHH)(O)	C(CNO)(CN)(NN)	N(CCO)(H)2	C(CCN)(NHH)(O)	C(CNO)(CN)(NN)	N(CCO)(H)2	115.7080	0.000	1	115.7080	0.000	1	116.4517	0.231	6	118.6939	2.198	28	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:2:	3:1:1:	C-3:N-3:O-1:	C-3:C-2:N-2:	C-3:H-1:H-1:	C(CCN)(NHH)(O)	C(CNO)(CN)(NO)	N(CCO)(H)2	C(CCN)(NHH)(O)	C(CNO)(CN)(NO)	N(CCO)(H)2	116.6004	0.350	5	116.6004	0.122	5	116.4517	0.231	6	118.6939	2.198	28	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:2:	3:3:1:	N-3:C-3:H-1:	C-3:C-2:C-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(H)	C(CHN)(CN)2	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CCC)(H)	C(CHN)(CN)2	N(C[6a]C[6a]2)(CCH)(H)	124.7940	0.000	1	124.7940	0.000	1	124.7940	0.000	1	119.2450	61.583	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:2:	3:3:1:	N-3:C-3:O-1:	C-3:S-2:N-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CNS)(O)	C(CNO)(SNi)(NN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CNS)(O)	C(CNO)(SNi)(NN)	N(C[6a]C[6a]2)(CCO)(H)	113.6960	0.000	1	113.6960	0.000	1	113.6960	0.000	1	119.2450	61.583	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:2:	4:4:3:	C-3:N-3:H-1:	C-3:C-2:C-2:	C-4:C-4:C-3:	C(CCC)(NCC)(H)	C(CHN)(CN)2	N(CH3)2(CCH)	C(CCC)(NCC)(H)	C(CHN)(CN)2	N(CH3)2(CCH)	130.1610	0.000	1	130.1610	0.000	1	130.1610	0.000	1	123.2840	50.523	6	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:2:	4:4:3:	C-3:N-3:H-1:	C-3:S-2:S-2:	C-4:C-4:C-3:	C(CSS)(NCC)(H)	C(CHN)(SS)2	N(CCHH)2(CCH)	C(CSS)(NCC)(H)	C(CHN)(SS)2	N(CCHH)2(CCH)	134.2380	0.000	1	134.2380	0.000	1	134.2380	0.000	1	123.2840	50.523	6	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:2:	4:4:3:	C-3:N-3:O-1:	C-3:C-2:N-2:	C-4:C-4:C-3:	C(CCN)(NCC)(O)	C(CNO)(CN)(NO)	N(CCHH)2(CCO)	C(CCN)(NCC)(O)	C(CNO)(CN)(NO)	N(CCHH)2(CCO)	120.0205	0.095	2	120.0205	0.009	2	120.0205	0.009	2	123.2840	50.523	6	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:2:	4:4:3:	C-3:N-3:O-1:	C-3:N-2:S-2:	C-4:C-4:C-3:	C(CNS)(NCC)(O)	C(CNO)(NO)(SC)	N(CH3)2(CCO)	C(CNS)(NCC)(O)	C(CNO)(NO)(SC)	N(CH3)2(CCO)	117.6320	0.361	2	117.6320	0.130	2	117.6320	0.130	2	123.2840	50.523	6	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:3:	3:1:1:	C-3:N-3:H-1:	C[6a]-3:O-2:C-3:	C-3:O-1:O-1:	C(CC[6a]O)(NOO)(H)	C(C[6a]C[6a]2)(ON[6])(CHN)	N(CCH)(O)2	C(CC[6a]O)(NOO)(H)	C(C[6a]C[6a]2)(ON[6])(CHN)	N(CCH)(O)2	123.0553	0.511	4	123.0553	0.261	4	123.0553	0.261	4	121.6382	10.236	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:3:	3:1:1:	C-3:N-3:O-1:	C[6a]-3:N-2:C-3:	C-3:H-1:H-1:	C(CC[6a]N)(NHH)(O)	C(C[6a]C[6a]2)(NC[6a])(CNO)	N(CCO)(H)2	C(CC[6a]N)(NHH)(O)	C(C[6a]C[6a]2)(NC[6a])(CNO)	N(CCO)(H)2	115.9700	0.000	1	115.9700	0.000	1	115.9700	0.000	1	121.6382	10.236	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:3:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:N-2:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]N)(NC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a])(CHN)	N(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]N)(NC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a])(CHN)	N(C[6a]C[6a]2)(CCH)(O)	123.7900	0.000	1	123.7900	0.000	1	123.7900	0.000	1	115.1047	18.433	6	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:3:	3:3:1:	C-3:N-3:O-1:	C[6a]-3:N-2:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]N)(NC[6a]H)(O)	C(C[6a]C[6a]2)(NC[6a])(CNO)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]N)(NC[6a]H)(O)	C(C[6a]C[6a]2)(NC[6a])(CNO)	N(C[6a]C[6a]2)(CCO)(H)	112.9370	0.000	1	112.9370	0.000	1	112.9370	0.000	1	115.1047	18.433	6	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:3:	3:3:1:	N-3:C-3:O-1:	N-3:N-2:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CNN)(O)	C(NC[6a]H)(NC[6a])(CNO)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CNN)(O)	C(NC[6a]H)(NC[6a])(CNO)	N(C[6a]C[6a]N[6a])(CCO)(H)	113.4753	0.686	4	113.4753	0.471	4	113.4753	0.471	4	115.1047	18.433	6	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:3:	4:3:1:	C-3:N-3:O-1:	C[6a]-3:N-2:C-3:	C-4:C-3:H-1:	C(CC[6a]N)(NCH)(O)	C(C[6a]C[6a]2)(NC[6a])(CNO)	N(CH3)(CCO)(H)	C(CC[6a]N)(NCH)(O)	C(C[6a]C[6a]2)(NC[6a])(CNO)	N(CH3)(CCO)(H)	115.1873	0.761	4	115.1873	0.579	4	115.1873	0.579	4	115.1873	0.579	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:3:	4:4:3:	C-3:N-3:H-1:	C-3:S-2:C-3:	C-4:C-4:C-3:	C(CCS)(NCC)(H)	C(CC[6a]O)(SC[6a])(CHN)	N(CH3)2(CCH)	C(CCS)(NCC)(H)	C(CC[6a]O)(SC[6a])(CHN)	N(CH3)2(CCH)	134.9650	0.000	1	134.9650	0.000	1	134.9650	0.000	1	132.0659	2.328	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:2:3:	4:4:3:	C-3:N-3:H-1:	C[5a]-3:O-2:C-3:	C-4:C-4:C-3:	C(CC[5a]O)(NCC)(H)	C(C[5a]N[5a]O[5a])(OC[6a])(CHN)	N(CH3)2(CCH)	C(CC[5a]O)(NCC)(H)	C(C[5a]N[5a]O[5a])(OC[6a])(CHN)	N(CH3)2(CCH)	131.5827	0.912	6	131.5827	0.832	6	131.5827	0.832	6	132.0659	2.328	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	2:3:1:	C-3:N-3:O-1:	C-3:N-3:O-1:	N-2:C-3:H-1:	C(CNO)(NHN)(O)	C(CNO)(NHN)(O)	N(NC[6])(CCO)(H)	C(CNO)(NHN)(O)	C(CNO)(NHN)(O)	N(NC[6])(CCO)(H)	112.0520	0.000	1	112.0520	0.000	1	112.0520	0.000	1	112.0520	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-3:O-1:O-1:	C(CCH)(NOO)(H)	C(CCH)(CHN)(H)	N(CCH)(O)2	C(CCH)(NOO)(H)	C(CCH)(CHN)(H)	N(CCH)(O)2	121.0370	0.395	3	121.0370	0.156	3	121.0370	0.156	3	118.1455	11.228	73	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	C-3:N-3:H-1:	C-3:H-1:H-1:	C(CHN)(NHH)(H)	C(CHN)(NOO)(H)	N(CCH)(H)2	C(CHN)(NHH)(H)	C(CHN)(NOO)(H)	N(CCH)(H)2	129.1060	0.000	1	129.1060	0.000	1	129.1060	0.000	1	118.1455	11.228	73	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	C-3:N-3:H-1:	C-3:O-1:O-1:	C(CHN)(NOO)(H)	C(CHN)(NHH)(H)	N(CCH)(O)2	C(CHN)(NOO)(H)	C(CHN)(NHH)(H)	N(CCH)(O)2	122.9200	0.000	1	122.9200	0.000	1	122.9200	0.000	1	118.1455	11.228	73	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	C[5a]-3:C-3:H-1:	C-3:O-1:O-1:	C(CC[5a]H)(NOO)(H)	C(C[5a]C[5a,6a]C[5a])(CHN)(H)	N(CCH)(O)2	C(CC[5a]H)(NOO)(H)	C(C[5a]C[5a,6a]C[5a])(CHN)(H)	N(CCH)(O)2	120.6880	0.000	1	120.6880	0.000	1	120.8496	0.653	10	118.1455	11.228	73	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	C[5a]-3:C-3:H-1:	C-3:O-1:O-1:	C(CC[5a]H)(NOO)(H)	C(C[5a]C[5a]N[5a])(CHN)(H)	N(CCH)(O)2	C(CC[5a]H)(NOO)(H)	C(C[5a]C[5a]N[5a])(CHN)(H)	N(CCH)(O)2	121.2090	0.000	1	121.2090	0.000	1	120.8496	0.653	10	118.1455	11.228	73	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	C[5a]-3:C-3:H-1:	C-3:O-1:O-1:	C(CC[5a]H)(NOO)(H)	C(C[5a]C[5a]O[5a])(CHN)(H)	N(CCH)(O)2	C(CC[5a]H)(NOO)(H)	C(C[5a]C[5a]O[5a])(CHN)(H)	N(CCH)(O)2	120.8249	0.904	8	120.8249	0.817	8	120.8496	0.653	10	118.1455	11.228	73	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	C[6a]-3:C-3:Cl-1:	C-3:O-1:O-1:	C(CC[6a]Cl)(NOO)(H)	C(C[6a]C[6a]2)(CHN)(Cl)	N(CCH)(O)2	C(CC[6a]Cl)(NOO)(H)	C(C[6a]C[6a]2)(CHN)(Cl)	N(CCH)(O)2	123.0860	0.000	1	123.0860	0.000	1	123.0860	0.000	1	118.1455	11.228	73	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C-3:O-1:O-1:	C(CC[6a]H)(NOO)(H)	C(C[6a]C[5,6a]2)(CHN)(H)	N(CCH)(O)2	C(CC[6a]H)(NOO)(H)	C(C[6a]C[5,6a]2)(CHN)(H)	N(CCH)(O)2	120.5510	0.000	1	120.5510	0.000	1	120.4179	0.799	22	118.1455	11.228	73	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C-3:O-1:O-1:	C(CC[6a]H)(NOO)(H)	C(C[6a]C[6a,6a]C[6a])(CHN)(H)	N(CCH)(O)2	C(CC[6a]H)(NOO)(H)	C(C[6a]C[6a,6a]C[6a])(CHN)(H)	N(CCH)(O)2	121.4670	0.003	2	121.4670	0.000	2	120.4179	0.799	22	118.1455	11.228	73	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C-3:O-1:O-1:	C(CC[6a]H)(NOO)(H)	C(C[6a]C[6a]2)(CHN)(H)	N(CCH)(O)2	C(CC[6a]H)(NOO)(H)	C(C[6a]C[6a]2)(CHN)(H)	N(CCH)(O)2	120.3004	0.891	19	120.3004	0.794	19	120.4179	0.799	22	118.1455	11.228	73	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CCH)(NHH)(O)	C(CCH)(CNO)(H)	N(CCO)(H)2	C(CCH)(NHH)(O)	C(CCH)(CNO)(H)	N(CCO)(H)2	114.2620	0.000	1	114.2620	0.000	1	116.4514	1.723	11	118.1455	11.228	73	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CCH)(NHH)(O)	C(CC[6a]H)(CNO)(H)	N(CCO)(H)2	C(CCH)(NHH)(O)	C(CC[6a]H)(CNO)(H)	N(CCO)(H)2	116.7526	1.191	9	116.7526	1.418	9	116.4514	1.723	11	118.1455	11.228	73	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CCH)(NHH)(O)	C(CHH)(CNO)(H)	N(CCO)(H)2	C(CCH)(NHH)(O)	C(CHH)(CNO)(H)	N(CCO)(H)2	115.9300	0.000	1	115.9300	0.000	1	116.4514	1.723	11	118.1455	11.228	73	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:O-1:	C-3:N-3:O-1:	C-3:H-1:H-1:	C(CNO)(NHH)(O)	C(CNO)(NCH)(O)	N(CCO)(H)2	C(CNO)(NHH)(O)	C(CNO)(NCH)(O)	N(CCO)(H)2	114.7390	0.000	1	114.7390	0.000	1	114.7390	0.000	1	118.1455	11.228	73	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:O-1:	C[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(CC[5]H)(NHH)(O)	C(C[5]C[5]N[5])(CNO)(H)	N(CCO)(H)2	C(CC[5]H)(NHH)(O)	C(C[5]C[5]N[5])(CNO)(H)	N(CCO)(H)2	116.4085	1.032	4	116.4085	1.066	4	116.4085	1.066	4	118.1455	11.228	73	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:O-1:	C[5a]-3:C-3:O-1:	C-3:H-1:H-1:	C(CC[5a]O)(NHH)(O)	C(C[5a]C[5a,6a]C[5a])(CNO)(O)	N(CCO)(H)2	C(CC[5a]O)(NHH)(O)	C(C[5a]C[5a,6a]C[5a])(CNO)(O)	N(CCO)(H)2	113.5050	0.000	1	113.5050	0.000	1	112.9363	1.015	4	118.1455	11.228	73	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:O-1:	C[5a]-3:C-3:O-1:	C-3:H-1:H-1:	C(CC[5a]O)(NHH)(O)	C(C[5a]C[5a]O[5a])(CNO)(O)	N(CCO)(H)2	C(CC[5a]O)(NHH)(O)	C(C[5a]C[5a]O[5a])(CNO)(O)	N(CCO)(H)2	112.7467	1.143	3	112.7467	1.307	3	112.9363	1.015	4	118.1455	11.228	73	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:O-1:	C[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(CC[6]H)(NHH)(O)	C(C[6]C[6]2)(CNO)(H)	N(CCO)(H)2	C(CC[6]H)(NHH)(O)	C(C[6]C[6]2)(CNO)(H)	N(CCO)(H)2	113.4810	0.000	1	113.4810	0.000	1	113.4810	0.000	1	118.1455	11.228	73	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:1:1:	C-3:N-3:S-1:	C-3:N-3:S-1:	C-3:H-1:H-1:	C(CNS)(NHH)(S)	C(CNS)(NHH)(S)	N(CCS)(H)2	C(CNS)(NHH)(S)	C(CNS)(NHH)(S)	N(CCS)(H)2	114.4391	0.619	14	114.4391	0.383	14	114.4391	0.383	14	118.1455	11.228	73	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:2:1:	C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(NOO)(H)	C(C[6a]C[6a]2)(CHN)(H)	N(CCH)(ORh)(O)	C(CC[6a]H)(NOO)(H)	C(C[6a]C[6a]2)(CHN)(H)	N(CCH)(ORh)(O)	118.4940	0.000	1	118.4940	0.000	1	118.4940	0.000	1	114.3374	8.382	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:2:1:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-3:N-2:H-1:	C(CCH)(NHN)(O)	C(CC[6a]H)(CNO)(H)	N(CCO)(NC)(H)	C(CCH)(NHN)(O)	C(CC[6a]H)(CNO)(H)	N(CCO)(NC)(H)	114.4680	0.000	1	114.4680	0.000	1	114.4680	0.000	1	114.3374	8.382	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:2:1:	C-3:N-3:O-1:	C-3:N-3:O-1:	C-3:N-2:H-1:	C(CNO)(NHN)(O)	C(CNO)(NHN)(O)	N(CCO)(NC)(H)	C(CNO)(NHN)(O)	C(CNO)(NHN)(O)	N(CCO)(NC)(H)	111.1640	0.000	1	111.1640	0.000	1	111.1640	0.000	1	114.3374	8.382	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:2:1:	C-3:N-3:O-1:	C-3:N-3:O-1:	C-3:O-2:H-1:	C(CNO)(NHO)(O)	C(CNO)(NHN)(O)	N(CCO)(OH)(H)	C(CNO)(NHO)(O)	C(CNO)(NHN)(O)	N(CCO)(OH)(H)	112.1160	0.000	1	112.1160	0.000	1	112.1160	0.000	1	114.3374	8.382	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:2:1:	C-3:N-3:O-1:	C[6a]-3:C-3:O-1:	C-3:N-2:H-1:	C(CC[6a]O)(NHN)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(CCO)(NN)(H)	C(CC[6a]O)(NHN)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(CCO)(NN)(H)	115.4450	0.000	1	115.4450	0.000	1	115.4450	0.000	1	114.3374	8.382	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:2:2:	C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C-3:O-2:O-2:	C(CC[6a]H)(NOO)(H)	C(C[6a]C[6a]2)(CHN)(H)	N(CCH)(OSi)2	C(CC[6a]H)(NOO)(H)	C(C[6a]C[6a]2)(CHN)(H)	N(CCH)(OSi)2	118.5230	0.000	1	118.5230	0.000	1	118.5230	0.000	1	118.5230	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C-3:C-3:Cl-1:	C-3:C-3:H-1:	C(CClC)(NCH)(H)	C(CHN)(COO)(Cl)	N(CC[6a]O)(CCH)(H)	C(CClC)(NCH)(H)	C(CHN)(COO)(Cl)	N(CC[6a]O)(CCH)(H)	124.7890	0.000	1	124.7890	0.000	1	124.7890	0.000	1	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)(NCH)(H)	C(CCH)(CHN)(H)	N(CC[6]O)(CCH)(H)	C(CCH)(NCH)(H)	C(CCH)(CHN)(H)	N(CC[6]O)(CCH)(H)	125.9780	0.000	1	125.9780	0.000	1	124.8360	2.608	2	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)(NCH)(H)	C(CHN)(COO)(H)	N(CC[6a]O)(CCH)(H)	C(CCH)(NCH)(H)	C(CHN)(COO)(H)	N(CC[6a]O)(CCH)(H)	123.6940	0.000	1	123.6940	0.000	1	124.8360	2.608	2	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5a]H)(NCH)(H)	C(C[5a]C[5a]2)(CHN)(H)	N(CC[6a]O)(CCH)(H)	C(CC[5a]H)(NCH)(H)	C(C[5a]C[5a]2)(CHN)(H)	N(CC[6a]O)(CCH)(H)	126.9180	0.000	1	126.9180	0.000	1	126.9180	0.000	1	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(NCH)(H)	C(C[6a]C[6a]2)(CHN)(H)	N(CCH)(CCO)(H)	C(CC[6a]H)(NCH)(H)	C(C[6a]C[6a]2)(CHN)(H)	N(CCH)(CCO)(H)	120.5282	1.927	4	120.5282	3.714	4	120.9250	3.573	5	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(NCH)(H)	C(C[6a]C[6a]2)(CHN)(H)	N(CCH)(CHO)(H)	C(CC[6a]H)(NCH)(H)	C(C[6a]C[6a]2)(CHN)(H)	N(CCH)(CHO)(H)	122.5120	0.000	1	122.5120	0.000	1	120.9250	3.573	5	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:H-1:	N-3:C-3:H-1:	C-3:C-3:H-1:	C(CHN)(NCH)(H)	C(NC[5]C)(CHN)(H)	N(CCH)(CNO)(H)	C(CHN)(NCH)(H)	C(NC[5]C)(CHN)(H)	N(CCH)(CNO)(H)	125.7800	0.000	1	125.7800	0.000	1	125.7800	0.000	1	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:O-1:	C-3:C-3:Cl-1:	C-3:C-3:H-1:	C(CClC)(NCH)(O)	C(CCO)(CNO)(Cl)	N(CCC)(CCO)(H)	C(CClC)(NCH)(O)	C(CCO)(CNO)(Cl)	N(CCC)(CCO)(H)	122.4430	0.000	1	122.4430	0.000	1	122.4430	0.000	1	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)(NCH)(O)	C(CCH)(CNO)(H)	N(CCO)(CNO)(H)	C(CCH)(NCH)(O)	C(CCH)(CNO)(H)	N(CCO)(CNO)(H)	116.6180	0.000	1	116.6180	0.000	1	114.3456	1.200	11	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)(NCH)(O)	C(CC[6a]H)(CNO)(H)	N(CCO)(CCS)(H)	C(CCH)(NCH)(O)	C(CC[6a]H)(CNO)(H)	N(CCO)(CCS)(H)	112.2870	0.000	1	112.2870	0.000	1	114.3456	1.200	11	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)(NCH)(O)	C(CC[6a]H)(CNO)(H)	N(CCO)(CNO)(H)	C(CCH)(NCH)(O)	C(CC[6a]H)(CNO)(H)	N(CCO)(CNO)(H)	114.3203	0.483	3	114.3203	0.233	3	114.3456	1.200	11	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)(NCH)(O)	C(CC[6a]H)(CNO)(H)	N(CCO)(CNS)(H)	C(CCH)(NCH)(O)	C(CC[6a]H)(CNO)(H)	N(CCO)(CNS)(H)	114.3227	0.652	6	114.3227	0.425	6	114.3456	1.200	11	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-3:N-3:H-1:	C(CCH)(NHN)(O)	C(CC[6a]H)(CNO)(H)	N(CCO)(NCH)(H)	C(CCH)(NHN)(O)	C(CC[6a]H)(CNO)(H)	N(CCO)(NCH)(H)	114.2624	0.590	8	114.2624	0.348	8	114.4311	0.561	9	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-3:N-3:H-1:	C(CCH)(NHN)(O)	C(CC[6a]H)(CNO)(H)	N(CCO)(NHH)(H)	C(CCH)(NHN)(O)	C(CC[6a]H)(CNO)(H)	N(CCO)(NHH)(H)	115.7810	0.000	1	115.7810	0.000	1	114.4311	0.561	9	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:O-1:	C-3:N-3:O-1:	C-3:N-3:H-1:	C(CNO)(NHN)(O)	C(CNO)(NHN)(O)	N(CCO)(NCH)(H)	C(CNO)(NHN)(O)	C(CNO)(NHN)(O)	N(CCO)(NCH)(H)	112.2670	0.000	1	112.2670	0.000	1	112.7373	0.680	8	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:O-1:	C-3:N-3:O-1:	C-3:N-3:H-1:	C(CNO)(NHN)(O)	C(CNO)(NHN)(O)	N(CCO)(NHH)(H)	C(CNO)(NHN)(O)	C(CNO)(NHN)(O)	N(CCO)(NHH)(H)	112.9313	0.875	6	112.9313	0.766	6	112.7373	0.680	8	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:O-1:	C-3:N-3:O-1:	C-3:N-3:H-1:	C(CNO)(NHN)(O)	C(CNO)(NHO)(O)	N(CCO)(NHH)(H)	C(CNO)(NHN)(O)	C(CNO)(NHO)(O)	N(CCO)(NHH)(H)	112.0430	0.000	1	112.0430	0.000	1	112.7373	0.680	8	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:O-1:	C[5a]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[5a]O)(NC[6a]H)(O)	C(C[5a]C[5a,6a]C[5a])(CNO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5a]O)(NC[6a]H)(O)	C(C[5a]C[5a,6a]C[5a])(CNO)(O)	N(C[6a]C[6a]2)(CCO)(H)	111.9675	1.055	4	111.9675	1.113	4	111.9675	1.113	4	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C(CC[6a]H)(NC[5a]H)(O)	C(C[6a]C[6a]2)(CNO)(H)	N(C[5a]C[5a]N[5a])(CCO)(H)	C(CC[6a]H)(NC[5a]H)(O)	C(C[6a]C[6a]2)(CNO)(H)	N(C[5a]C[5a]N[5a])(CCO)(H)	114.6080	0.000	1	114.6080	0.000	1	114.6080	0.000	1	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:O-1:	C[6a]-3:C-3:O-1:	C-3:C-3:H-1:	C(CC[6a]O)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(CCO)(COO)(H)	C(CC[6a]O)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(CCO)(COO)(H)	111.6570	0.000	1	111.6570	0.000	1	114.7735	19.425	2	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:O-1:	C[6a]-3:C-3:O-1:	C-3:C-3:H-1:	C(CC[6a]O)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(CC[6a]O)(CCO)(H)	C(CC[6a]O)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(CC[6a]O)(CCO)(H)	117.8900	0.000	1	117.8900	0.000	1	114.7735	19.425	2	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:O-1:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[6a]O)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]O)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(C[6a]C[6a]2)(CCO)(H)	112.2297	1.628	6	112.2297	2.650	6	112.2297	2.650	6	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:O-1:	N[6]-3:C-3:S-1:	C-3:C-3:H-1:	C(CN[6]S)(NCH)(O)	C(N[6]C[6]2)(CNO)(S)	N(CCO)(COO)(H)	C(CN[6]S)(NCH)(O)	C(N[6]C[6]2)(CNO)(S)	N(CCO)(COO)(H)	117.9520	0.000	1	117.9520	0.000	1	117.9520	0.000	1	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	C-3:N-3:S-1:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CC[5a]H)(NC[6a]H)(S)	C(C[5a]N[5a]S[5a])(CNS)(H)	N(C[6a]C[6a]2)(CCS)(H)	C(CC[5a]H)(NC[6a]H)(S)	C(C[5a]N[5a]S[5a])(CNS)(H)	N(C[6a]C[6a]2)(CCS)(H)	113.0750	0.000	1	113.0750	0.000	1	113.0750	0.000	1	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	N-3:C-3:H-1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCH)(H)	C(CCO)(CHN)(H)	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CCH)(H)	C(CCO)(CHN)(H)	N(C[6a]C[6a]2)(CCH)(H)	123.1267	0.522	3	123.1267	0.273	3	123.2590	0.252	4	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	N-3:C-3:H-1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCH)(H)	C(CC[6a]O)(CHN)(H)	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CCH)(H)	C(CC[6a]O)(CHN)(H)	N(C[6a]C[6a]2)(CCH)(H)	123.6560	0.000	1	123.6560	0.000	1	123.2590	0.252	4	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	N-3:C-3:H-1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(NC[6a]O)(CCH)(H)	C(CC[6a]H)(CHN)(H)	N(C[6a]C[6a]2)(CCH)(O)	C(NC[6a]O)(CCH)(H)	C(CC[6a]H)(CHN)(H)	N(C[6a]C[6a]2)(CCH)(O)	123.0410	0.000	1	123.0410	0.000	1	123.0410	0.000	1	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	N-3:C-3:H-1:	C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHN)(H)	C(CHN)(NCC)(H)	N(C[6a]C[6a]N[6a])(CCH)(H)	C(NC[6a]H)(CHN)(H)	C(CHN)(NCC)(H)	N(C[6a]C[6a]N[6a])(CCH)(H)	127.7938	0.733	5	127.7938	0.538	5	127.7938	0.538	5	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	N-3:C-3:H-1:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CC[5]H)(H)	C(C[5]N[5]S[5])(CHN)(H)	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CC[5]H)(H)	C(C[5]N[5]S[5])(CHN)(H)	N(C[6a]C[6a]2)(CCH)(H)	122.4460	0.000	1	122.4460	0.000	1	122.4460	0.000	1	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	N-3:C-3:H-1:	N-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHN)(H)	C(NReC)(CHN)(H)	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CHN)(H)	C(NReC)(CHN)(H)	N(C[6a]C[6a]2)(CCH)(H)	124.2320	0.000	1	124.2320	0.000	1	124.2320	0.000	1	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	N-3:C-3:O-1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CCH)(O)	C(CC[6a]2)(CNO)(H)	N(C[5a]C[5a,6a]C[5a])(CCO)(H)	C(NC[5a]H)(CCH)(O)	C(CC[6a]2)(CNO)(H)	N(C[5a]C[5a,6a]C[5a])(CCO)(H)	123.0670	0.000	1	123.0670	0.000	1	117.4407	24.177	3	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	N-3:C-3:O-1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CCH)(O)	C(CC[6a]H)(CNO)(H)	N(C[5a]C[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CCH)(O)	C(CC[6a]H)(CNO)(H)	N(C[5a]C[5a]S[5a])(CCO)(H)	113.9680	0.000	1	113.9680	0.000	1	117.4407	24.177	3	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	N-3:C-3:O-1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CCH)(O)	C(CC[6a]H)(CNO)(H)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CCH)(O)	C(CC[6a]H)(CNO)(H)	N(C[5a]N[5a]S[5a])(CCO)(H)	115.2870	0.000	1	115.2870	0.000	1	117.4407	24.177	3	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	N-3:C-3:O-1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCH)(O)	C(CCC)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCH)(O)	C(CCC)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	112.5330	0.000	1	112.5330	0.000	1	114.4159	1.725	61	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	N-3:C-3:O-1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCH)(O)	C(CCH)(CNO)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCH)(O)	C(CCH)(CNO)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	113.5930	0.000	1	113.5930	0.000	1	114.4159	1.725	61	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	N-3:C-3:O-1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCH)(O)	C(CCH)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCH)(O)	C(CCH)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	114.6699	1.268	42	114.6699	1.608	42	114.4159	1.725	61	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	N-3:C-3:O-1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCH)(O)	C(CC[6a]H)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCH)(O)	C(CC[6a]H)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	113.8616	1.506	11	113.8616	2.268	11	114.4159	1.725	61	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	N-3:C-3:O-1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCH)(O)	C(CC[6a]H)(CNO)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CCH)(O)	C(CC[6a]H)(CNO)(H)	N(C[6a]C[6a]N[6a])(CCO)(H)	113.5745	1.440	2	113.5745	2.075	2	114.4159	1.725	61	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	N-3:C-3:O-1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCH)(O)	C(CHH)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCH)(O)	C(CHH)(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	114.8825	0.095	2	114.8825	0.009	2	114.4159	1.725	61	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	N-3:C-3:O-1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCH)(O)	C(CSiH)(CNO)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CCH)(O)	C(CSiH)(CNO)(H)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	113.8565	0.036	2	113.8565	0.001	2	114.4159	1.725	61	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	N-3:C-3:O-1:	C-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCO)(O)	C(CC[6a]O)(CNO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCO)(O)	C(CC[6a]O)(CNO)(O)	N(C[6a]C[6a]2)(CCO)(H)	111.7060	0.000	1	111.7060	0.000	1	111.7060	0.000	1	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	N-3:C-3:O-1:	C-3:N-3:O-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CNO)(O)	C(CNO)(NCH)(O)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CNO)(O)	C(CNO)(NCH)(O)	N(C[6a]C[6a]2)(CCO)(H)	111.5912	0.567	6	111.5912	0.322	6	111.5912	0.322	6	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	N-3:C-3:O-1:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CC[5]H)(O)	C(C[5]N[5]S[5])(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CC[5]H)(O)	C(C[5]N[5]S[5])(CNO)(H)	N(C[6a]C[6a]2)(CCO)(H)	114.8500	0.000	1	114.8500	0.000	1	114.8500	0.000	1	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	N-3:C-3:O-1:	C[5]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CC[5]O)(O)	C(C[5]C[5]2)(CNO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CC[5]O)(O)	C(C[5]C[5]2)(CNO)(O)	N(C[6a]C[6a]2)(CCO)(H)	112.4770	0.000	1	112.4770	0.000	1	112.4770	0.000	1	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	N-3:C-3:O-1:	N-3:C-3:O-1:	C[6]-3:C-3:H-1:	C(NC[6]H)(CNO)(O)	C(NC[6]H)(CNO)(O)	N(C[6]C[6]2)(CCO)(H)	C(NC[6]H)(CNO)(O)	C(NC[6]H)(CNO)(O)	N(C[6]C[6]2)(CCO)(H)	110.6650	0.885	3	110.6650	0.784	3	110.8125	0.610	4	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	N-3:C-3:O-1:	N-3:C-3:O-1:	C[6]-3:C-3:H-1:	C(NC[6]H)(CNO)(O)	C(NC[6]H)(CNO)(O)	N(C[6]C[6]N[6])(CCO)(H)	C(NC[6]H)(CNO)(O)	C(NC[6]H)(CNO)(O)	N(C[6]C[6]N[6])(CCO)(H)	111.2550	0.000	1	111.2550	0.000	1	110.8125	0.610	4	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	N-3:C-3:O-1:	N-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CNO)(O)	C(NC[6a]H)(CNO)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(NC[6a]H)(CNO)(O)	C(NC[6a]H)(CNO)(O)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	112.1970	0.000	1	112.1970	0.000	1	111.8652	0.985	36	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	N-3:C-3:O-1:	N-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CNO)(O)	C(NC[6a]H)(CNO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CNO)(O)	C(NC[6a]H)(CNO)(O)	N(C[6a]C[6a]2)(CCO)(H)	111.8297	1.057	30	111.8297	1.118	30	111.8652	0.985	36	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	N-3:C-3:O-1:	N-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CNO)(O)	C(NC[6a]H)(CNO)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CNO)(O)	C(NC[6a]H)(CNO)(O)	N(C[6a]C[6a]N[6a])(CCO)(H)	112.0120	0.670	5	112.0120	0.449	5	111.8652	0.985	36	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	N-3:C-3:O-1:	N-3:C-3:S-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CNS)(O)	C(NC[6a]H)(CNO)(S)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CNS)(O)	C(NC[6a]H)(CNO)(S)	N(C[6a]C[6a]2)(CCO)(H)	113.7250	0.000	1	113.7250	0.000	1	113.7250	0.000	1	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	N-3:C-3:S-1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCH)(S)	C(CC[6a]O)(CNS)(H)	N(C[6a]C[6a]2)(CCS)(H)	C(NC[6a]H)(CCH)(S)	C(CC[6a]O)(CNS)(H)	N(C[6a]C[6a]2)(CCS)(H)	117.4800	0.000	1	117.4800	0.000	1	117.4800	0.000	1	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:1:	N-3:C-3:S-1:	N-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CNO)(S)	C(NC[6a]H)(CNS)(O)	N(C[6a]C[6a]2)(CCS)(H)	C(NC[6a]H)(CNO)(S)	C(NC[6a]H)(CNS)(O)	N(C[6a]C[6a]2)(CCS)(H)	112.0880	0.000	1	112.0880	0.000	1	112.0880	0.000	1	114.8127	16.825	182	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:2:	N-3:C-3:O-1:	C-3:C-3:H-1:	C[6a]-3:C-3:N-2:	C(NC[6a]N)(CCH)(O)	C(CCH)(CNO)(H)	N(C[6a]C[6a]N[6a])(CCO)(NC)	C(NC[6a]N)(CCH)(O)	C(CCH)(CNO)(H)	N(C[6a]C[6a]N[6a])(CCO)(NC)	117.3410	0.000	1	117.3410	0.000	1	117.1683	0.089	3	117.1683	0.089	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:2:	N-3:C-3:O-1:	C-3:C-3:H-1:	C[6a]-3:C-3:N-2:	C(NC[6a]N)(CCH)(O)	C(CC[6a]H)(CNO)(H)	N(C[6a]C[6a]N[6a])(CCO)(NC)	C(NC[6a]N)(CCH)(O)	C(CC[6a]H)(CNO)(H)	N(C[6a]C[6a]N[6a])(CCO)(NC)	117.0820	0.365	2	117.0820	0.133	2	117.1683	0.089	3	117.1683	0.089	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:3:	C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C(CC[6a]H)(NC[6a]C)(H)	C(C[6a]C[6a]2)(CHN)(H)	N(C[6a]C[6a]2)(CCH)2	C(CC[6a]H)(NC[6a]C)(H)	C(C[6a]C[6a]2)(CHN)(H)	N(C[6a]C[6a]2)(CCH)2	125.9305	0.562	2	125.9305	0.316	2	126.1987	0.374	3	119.2454	17.902	14	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:3:	C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C(CC[6a]H)(NC[6a]C)(H)	C(C[6a]C[6a]2)(CHN)(H)	N(C[6a]C[6a]2)(CC[6a]N)(CCH)	C(CC[6a]H)(NC[6a]C)(H)	C(C[6a]C[6a]2)(CHN)(H)	N(C[6a]C[6a]2)(CC[6a]N)(CCH)	126.7350	0.000	1	126.7350	0.000	1	126.1987	0.374	3	119.2454	17.902	14	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:3:	C-3:N-3:O-1:	C-3:N-3:O-1:	C-3:C-3:C-3:	C(CNO)(NCC)(O)	C(CNO)(NCC)(O)	N(CCC)(CCO)(CHH)	C(CNO)(NCC)(O)	C(CNO)(NCC)(O)	N(CCC)(CCO)(CHH)	117.3020	0.000	1	117.3020	0.000	1	117.3020	0.000	1	119.2454	17.902	14	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:3:	C-3:N-3:O-1:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:C-3:	C(CC[6a]O)(NC[6a]C)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(C[6a]C[6a]2)(CCO)2	C(CC[6a]O)(NC[6a]C)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(C[6a]C[6a]2)(CCO)2	118.0150	0.000	1	118.0150	0.000	1	118.0150	0.000	1	119.2454	17.902	14	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:3:	C-3:N-3:O-1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]O)(NC[6a]2)(O)	C(C[6a]C[6a]N[6a])(CNO)(O)	N(C[6a]C[6a]2)2(CCO)	C(CC[6a]O)(NC[6a]2)(O)	C(C[6a]C[6a]N[6a])(CNO)(O)	N(C[6a]C[6a]2)2(CCO)	116.9940	0.000	1	116.9940	0.000	1	116.9940	0.000	1	119.2454	17.902	14	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CCH)(H)	C(CCH)(CHN)(H)	N(C[6a]C[6a]2)(CCH)(CCO)	C(NC[6a]C)(CCH)(H)	C(CCH)(CHN)(H)	N(C[6a]C[6a]2)(CCH)(CCO)	123.3910	0.000	1	123.3910	0.000	1	123.3910	0.000	1	119.2454	17.902	14	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:3:	N-3:C-3:O-1:	C-3:C-3:F-1:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(CCF)(O)	C(CC[6a]C)(CNO)(F)	N(C[6a]C[6a]2)2(CCO)	C(NC[6a]2)(CCF)(O)	C(CC[6a]C)(CNO)(F)	N(C[6a]C[6a]2)2(CCO)	117.7560	0.000	1	117.7560	0.000	1	117.7560	0.000	1	119.2454	17.902	14	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:3:	N-3:C-3:O-1:	C-3:C-3:H-1:	C[6]-3:N-3:C-3:	C(NC[6]N)(CCH)(O)	C(CCH)(CNO)(H)	N(C[6]C[6]N[6])(NPdC)(CCO)	C(NC[6]N)(CCH)(O)	C(CCH)(CNO)(H)	N(C[6]C[6]N[6])(NPdC)(CCO)	116.3425	0.272	2	116.3425	0.074	2	116.6238	0.136	4	119.2454	17.902	14	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:3:	N-3:C-3:O-1:	C-3:C-3:H-1:	C[6]-3:N-3:C-3:	C(NC[6]N)(CCH)(O)	C(CC[6a]H)(CNO)(H)	N(C[6]C[6]N[6])(NPdC)(CCO)	C(NC[6]N)(CCH)(O)	C(CC[6a]H)(CNO)(H)	N(C[6]C[6]N[6])(NPdC)(CCO)	116.9050	0.133	2	116.9050	0.018	2	116.6238	0.136	4	119.2454	17.902	14	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:3:3:	N-3:C-3:O-1:	N-3:C-3:O-1:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CNO)(O)	C(NC[6a]C)(CNO)(O)	N(C[6a]C[6a]2)(CCC)(CCO)	C(NC[6a]C)(CNO)(O)	C(NC[6a]C)(CNO)(O)	N(C[6a]C[6a]2)(CCC)(CCO)	115.4430	0.590	2	115.4430	0.348	2	115.4430	0.348	2	119.2454	17.902	14	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:4:3:	C-3:N-3:O-1:	C[6a]-3:C-3:O-1:	C[6a]-3:C-4:C-3:	C(CC[6a]O)(NC[6a]C)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(C[6a]C[6a]2)(CCCH)(CCO)	C(CC[6a]O)(NC[6a]C)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(C[6a]C[6a]2)(CCCH)(CCO)	118.4125	0.071	2	118.4125	0.005	2	118.0790	0.467	5	120.5429	22.717	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:4:3:	C-3:N-3:O-1:	C[6a]-3:C-3:O-1:	C[6a]-3:C-4:C-3:	C(CC[6a]O)(NC[6a]C)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(C[6a]C[6a]2)(CC[5a]CH)(CCO)	C(CC[6a]O)(NC[6a]C)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(C[6a]C[6a]2)(CC[5a]CH)(CCO)	117.1610	0.000	1	117.1610	0.000	1	118.0790	0.467	5	120.5429	22.717	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:4:3:	C-3:N-3:O-1:	C[6a]-3:C-3:O-1:	C[6a]-3:C-4:C-3:	C(CC[6a]O)(NC[6a]C)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C(CC[6a]O)(NC[6a]C)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	118.2045	0.875	2	118.2045	0.765	2	118.0790	0.467	5	120.5429	22.717	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:4:3:	N-3:C-3:H-1:	C-3:C-3:Br-1:	C[6a]-3:S-4:C-3:	C(NC[6a]S)(CBrC)(H)	C(CCH)(CHN)(Br)	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C(NC[6a]S)(CBrC)(H)	C(CCH)(CHN)(Br)	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	129.0530	0.000	1	129.0530	0.000	1	129.0530	0.000	1	120.5429	22.717	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:4:3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCH)(H)	C(CCH)(CHN)(H)	N(C[6a]C[6a]2)(CH3)(CCH)	C(NC[6a]C)(CCH)(H)	C(CCH)(CHN)(H)	N(C[6a]C[6a]2)(CH3)(CCH)	127.0800	1.599	4	127.0800	2.557	4	127.0800	2.557	4	120.5429	22.717	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:4:3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C[6a]-3:S-4:C-3:	C(NC[6a]S)(CCH)(H)	C(CHN)2(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C(NC[6a]S)(CCH)(H)	C(CHN)2(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	126.2380	0.000	1	126.2380	0.000	1	126.2380	0.000	1	120.5429	22.717	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:4:3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHN)(H)	C(NC[6a]Al)(CHN)(H)	N(C[6a]C[6a]2)(CAlHH)(CCH)	C(NC[6a]C)(CHN)(H)	C(NC[6a]Al)(CHN)(H)	N(C[6a]C[6a]2)(CAlHH)(CCH)	127.6683	0.271	3	127.6683	0.073	3	127.6378	0.053	4	120.5429	22.717	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:4:3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CHN)(H)	C(NC[6a]Be)(CHN)(H)	N(C[6a]C[6a]2)(CBeCH)(CCH)	C(NC[6a]C)(CHN)(H)	C(NC[6a]Be)(CHN)(H)	N(C[6a]C[6a]2)(CBeCH)(CCH)	127.5460	0.000	1	127.5460	0.000	1	127.6378	0.053	4	120.5429	22.717	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:4:3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C[6a]-3:Si-4:C-3:	C(NC[6a]Si)(CHN)(H)	C(NC[6a]Si)(CHN)(H)	N(C[6a]C[6a]2)(SiCl3)(CCH)	C(NC[6a]Si)(CHN)(H)	C(NC[6a]Si)(CHN)(H)	N(C[6a]C[6a]2)(SiCl3)(CCH)	124.3620	0.000	1	124.3620	0.000	1	124.3620	0.000	1	120.5429	22.717	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:4:3:	N-3:C-3:O-1:	C-3:C-3:Br-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CBrC)(O)	C(CBrC)(CNO)(Br)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CBrC)(O)	C(CBrC)(CNO)(Br)	N(C[6a]C[6a]2)(CH3)(CCO)	116.4440	0.000	1	116.4440	0.000	1	116.4440	0.000	1	120.5429	22.717	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:4:3:	N-3:C-3:O-1:	C-3:C-3:H-1:	C[5a]-3:S-4:C-3:	C(NC[5a]S)(CCH)(O)	C(CC[6a]C)(CNO)(H)	N(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(CCO)	C(NC[5a]S)(CCH)(O)	C(CC[6a]C)(CNO)(H)	N(C[5a]C[5a,6a]C[5a])(SC[6a]OO)(CCO)	115.0630	0.000	1	115.0630	0.000	1	115.0630	0.000	1	120.5429	22.717	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:4:3:	N-3:C-3:O-1:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCH)(O)	C(CCH)(CNO)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CCH)(O)	C(CCH)(CNO)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	116.7460	0.284	2	116.7460	0.081	2	117.9055	1.802	12	120.5429	22.717	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:4:3:	N-3:C-3:O-1:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCH)(O)	C(CCO)(CNO)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(NC[6a]C)(CCH)(O)	C(CCO)(CNO)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	119.3230	0.000	1	119.3230	0.000	1	117.9055	1.802	12	120.5429	22.717	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:4:3:	N-3:C-3:O-1:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCH)(O)	C(CC[6a]2)(CNO)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCH)(O)	C(CC[6a]2)(CNO)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	120.0820	0.000	1	120.0820	0.000	1	117.9055	1.802	12	120.5429	22.717	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:4:3:	N-3:C-3:O-1:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCH)(O)	C(CC[6a]H)(CNO)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CCH)(O)	C(CC[6a]H)(CNO)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	117.5580	0.615	3	117.5580	0.378	3	117.9055	1.802	12	120.5429	22.717	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:4:3:	N-3:C-3:O-1:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCH)(O)	C(CC[6a]H)(CNO)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCH)(O)	C(CC[6a]H)(CNO)(H)	N(C[6a]C[6a]2)(CH3)(CCO)	117.4925	1.163	2	117.4925	1.353	2	117.9055	1.802	12	120.5429	22.717	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:4:3:	N-3:C-3:O-1:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCH)(O)	C(CC[6a]O)(CNO)(H)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CCH)(O)	C(CC[6a]O)(CNO)(H)	N(C[6a]C[6a]2)(CCHH)(CCO)	120.0160	0.000	1	120.0160	0.000	1	117.9055	1.802	12	120.5429	22.717	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:4:3:	N-3:C-3:O-1:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCH)(O)	C(CC[6a]S)(CNO)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CCH)(O)	C(CC[6a]S)(CNO)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	116.1750	0.000	1	116.1750	0.000	1	117.9055	1.802	12	120.5429	22.717	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:4:3:	N-3:C-3:O-1:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCH)(O)	C(CHH)(CNO)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CCH)(O)	C(CHH)(CNO)(H)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	118.1190	0.000	1	118.1190	0.000	1	117.9055	1.802	12	120.5429	22.717	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:4:3:	N-3:C-3:O-1:	C-3:C-3:H-1:	C[6a]-3:C[6]-4:C-3:	C(NC[6a]C[6])(CCH)(O)	C(CHH)(CNO)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C(NC[6a]C[6])(CCH)(O)	C(CHH)(CNO)(H)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	117.8570	0.000	1	117.8570	0.000	1	117.8570	0.000	1	120.5429	22.717	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:4:3:	N-3:C-3:O-1:	C-3:C-3:H-1:	C[6a]-3:S-4:C-3:	C(NC[6a]S)(CCH)(O)	C(CCO)(CNO)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	C(NC[6a]S)(CCH)(O)	C(CCO)(CNO)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCO)	113.6670	0.000	1	113.6670	0.000	1	113.6670	0.000	1	120.5429	22.717	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:4:3:	N-3:C-3:O-1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6]-4:C-3:	C(NC[6a]C[6])(CC[6a]O)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C(NC[6a]C[6])(CC[6a]O)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	119.4400	0.000	1	119.4400	0.000	1	119.4400	0.000	1	120.5429	22.717	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	3:4:3:	N-3:C-3:O-1:	N-3:C-3:O-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CNO)(O)	C(NC[6a]C)(CNO)(O)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CNO)(O)	C(NC[6a]C)(CNO)(O)	N(C[6a]C[6a]2)(CCHH)(CCO)	116.3725	0.056	2	116.3725	0.003	2	116.3725	0.003	2	120.5429	22.717	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)(NCH)(H)	C(CCO)(CHN)(H)	N(CCHH)(CCH)(H)	C(CCH)(NCH)(H)	C(CCO)(CHN)(H)	N(CCHH)(CCH)(H)	126.3080	0.000	1	126.3080	0.000	1	125.3888	1.986	5	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)(NCH)(H)	C(CCO)(CHN)(H)	N(CC[6a]HH)(CCH)(H)	C(CCH)(NCH)(H)	C(CCO)(CHN)(H)	N(CC[6a]HH)(CCH)(H)	126.3945	0.576	2	126.3945	0.332	2	125.3888	1.986	5	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)(NCH)(H)	C(CC[6a]H)(CHN)(H)	N(CC[6]HH)(CCH)(H)	C(CCH)(NCH)(H)	C(CC[6a]H)(CHN)(H)	N(CC[6]HH)(CCH)(H)	123.4490	0.000	1	123.4490	0.000	1	125.3888	1.986	5	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)(NCH)(H)	C(CHN)2(H)	N(CCHH)(CCH)(H)	C(CCH)(NCH)(H)	C(CHN)2(H)	N(CCHH)(CCH)(H)	124.3980	0.000	1	124.3980	0.000	1	125.3888	1.986	5	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:H-1:	C-3:N-3:H-1:	C-4:C-3:O-1:	C(CHN)(NCO)(H)	C(CHN)(NCO)(H)	N(CCHH)(CCH)(O)	C(CHN)(NCO)(H)	C(CHN)(NCO)(H)	N(CCHH)(CCH)(O)	121.2610	0.270	2	121.2610	0.073	2	121.2610	0.073	2	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)(NCH)(O)	C(CCH)(CNO)(H)	N(CC3)(CCO)(H)	C(CCH)(NCH)(O)	C(CCH)(CNO)(H)	N(CC3)(CCO)(H)	114.0570	0.078	2	114.0570	0.006	2	114.9421	4.290	83	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)(NCH)(O)	C(CCH)(CNO)(H)	N(CCCH)(CCO)(H)	C(CCH)(NCH)(O)	C(CCH)(CNO)(H)	N(CCCH)(CCO)(H)	115.7249	2.455	10	115.7249	6.028	10	114.9421	4.290	83	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)(NCH)(O)	C(CCH)(CNO)(H)	N(CCHH)(CCO)(H)	C(CCH)(NCH)(O)	C(CCH)(CNO)(H)	N(CCHH)(CCO)(H)	115.5503	1.133	3	115.5503	1.283	3	114.9421	4.290	83	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)(NCH)(O)	C(CCH)(CNO)(H)	N(CC[6]CH)(CCO)(H)	C(CCH)(NCH)(O)	C(CCH)(CNO)(H)	N(CC[6]CH)(CCO)(H)	112.2920	0.000	1	112.2920	0.000	1	114.9421	4.290	83	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)(NCH)(O)	C(CCH)(CNO)(H)	N(CC[6a]CH)(CCO)(H)	C(CCH)(NCH)(O)	C(CCH)(CNO)(H)	N(CC[6a]CH)(CCO)(H)	114.5870	0.446	5	114.5870	0.198	5	114.9421	4.290	83	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)(NCH)(O)	C(CCH)(CNO)(H)	N(CC[6a]HH)(CCO)(H)	C(CCH)(NCH)(O)	C(CCH)(CNO)(H)	N(CC[6a]HH)(CCO)(H)	114.6864	0.664	7	114.6864	0.441	7	114.9421	4.290	83	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)(NCH)(O)	C(CCO)(CNO)(H)	N(CCHH)(CCO)(H)	C(CCH)(NCH)(O)	C(CCO)(CNO)(H)	N(CCHH)(CCO)(H)	113.3320	0.000	1	113.3320	0.000	1	114.9421	4.290	83	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)(NCH)(O)	C(CC[6]H)(CNO)(H)	N(CCHH)(CCO)(H)	C(CCH)(NCH)(O)	C(CC[6]H)(CNO)(H)	N(CCHH)(CCO)(H)	115.2190	0.547	2	115.2190	0.300	2	114.9421	4.290	83	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)(NCH)(O)	C(CC[6a]2)(CNO)(H)	N(CC[6a]HH)(CCO)(H)	C(CCH)(NCH)(O)	C(CC[6a]2)(CNO)(H)	N(CC[6a]HH)(CCO)(H)	111.5770	0.000	1	111.5770	0.000	1	114.9421	4.290	83	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)(NCH)(O)	C(CC[6a]C)(CNO)(H)	N(CCHH)(CCO)(H)	C(CCH)(NCH)(O)	C(CC[6a]C)(CNO)(H)	N(CCHH)(CCO)(H)	115.6757	0.202	3	115.6757	0.041	3	114.9421	4.290	83	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)(NCH)(O)	C(CC[6a]Cl)(CNO)(H)	N(CC[6a]CH)(CCO)(H)	C(CCH)(NCH)(O)	C(CC[6a]Cl)(CNO)(H)	N(CC[6a]CH)(CCO)(H)	114.1130	0.412	2	114.1130	0.169	2	114.9421	4.290	83	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)(NCH)(O)	C(CC[6a]H)(CNO)(H)	N(CC3)(CCO)(H)	C(CCH)(NCH)(O)	C(CC[6a]H)(CNO)(H)	N(CC3)(CCO)(H)	114.4820	0.163	2	114.4820	0.026	2	114.9421	4.290	83	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)(NCH)(O)	C(CC[6a]H)(CNO)(H)	N(CCCH)(CCO)(H)	C(CCH)(NCH)(O)	C(CC[6a]H)(CNO)(H)	N(CCCH)(CCO)(H)	115.0868	0.464	5	115.0868	0.215	5	114.9421	4.290	83	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)(NCH)(O)	C(CC[6a]H)(CNO)(H)	N(CCHH)(CCO)(H)	C(CCH)(NCH)(O)	C(CC[6a]H)(CNO)(H)	N(CCHH)(CCO)(H)	114.8734	2.220	15	114.8734	4.927	15	114.9421	4.290	83	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)(NCH)(O)	C(CC[6a]H)(CNO)(H)	N(CC[6a]HH)(CCO)(H)	C(CCH)(NCH)(O)	C(CC[6a]H)(CNO)(H)	N(CC[6a]HH)(CCO)(H)	115.6088	0.927	6	115.6088	0.859	6	114.9421	4.290	83	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)(NCH)(O)	C(CC[6a]N)(CNO)(H)	N(CCHH)(CCO)(H)	C(CCH)(NCH)(O)	C(CC[6a]N)(CNO)(H)	N(CCHH)(CCO)(H)	122.2390	0.000	1	122.2390	0.000	1	114.9421	4.290	83	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)(NCH)(O)	C(CHH)(CNO)(H)	N(CC3)(CCO)(H)	C(CCH)(NCH)(O)	C(CHH)(CNO)(H)	N(CC3)(CCO)(H)	110.5293	5.434	3	110.5293	29.527	3	114.9421	4.290	83	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)(NCH)(O)	C(CHH)(CNO)(H)	N(CCCH)(CCO)(H)	C(CCH)(NCH)(O)	C(CHH)(CNO)(H)	N(CCCH)(CCO)(H)	116.1840	0.512	3	116.1840	0.263	3	114.9421	4.290	83	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)(NCH)(O)	C(CHH)(CNO)(H)	N(CCHH)(CCO)(H)	C(CCH)(NCH)(O)	C(CHH)(CNO)(H)	N(CCHH)(CCO)(H)	115.1720	0.666	5	115.1720	0.443	5	114.9421	4.290	83	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)(NCH)(O)	C(CHH)(CNO)(H)	N(CHHN)(CCO)(H)	C(CCH)(NCH)(O)	C(CHH)(CNO)(H)	N(CHHN)(CCO)(H)	115.0267	0.569	6	115.0267	0.324	6	114.9421	4.290	83	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:H-1:	S-4:C-3:H-1:	C(CCH)(NHS)(O)	C(CCH)(CNO)(H)	N(SC[6a]OO)(CCO)(H)	C(CCH)(NHS)(O)	C(CCH)(CNO)(H)	N(SC[6a]OO)(CCO)(H)	113.7315	0.043	2	113.7315	0.002	2	113.7315	0.002	2	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:O-1:	C-4:C-3:H-1:	C(CCO)(NCH)(O)	C(CCH)(CNO)(O)	N(CC[6a]HH)(CCO)(H)	C(CCO)(NCH)(O)	C(CCH)(CNO)(O)	N(CC[6a]HH)(CCO)(H)	113.5445	0.521	2	113.5445	0.272	2	113.7000	0.208	3	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:O-1:	C-4:C-3:H-1:	C(CCO)(NCH)(O)	C(CHN)(CNO)(O)	N(CCCH)(CCO)(H)	C(CCO)(NCH)(O)	C(CHN)(CNO)(O)	N(CCCH)(CCO)(H)	114.0110	0.000	1	114.0110	0.000	1	113.7000	0.208	3	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C-3:N-3:O-1:	C-4:C-3:H-1:	C(CNO)(NCH)(O)	C(CNO)(NCH)(O)	N(CCCH)(CCO)(H)	C(CNO)(NCH)(O)	C(CNO)(NCH)(O)	N(CCCH)(CCO)(H)	113.8646	0.717	9	113.8646	0.514	9	113.6050	0.560	67	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C-3:N-3:O-1:	C-4:C-3:H-1:	C(CNO)(NCH)(O)	C(CNO)(NCH)(O)	N(CCHH)(CCO)(H)	C(CNO)(NCH)(O)	C(CNO)(NCH)(O)	N(CCHH)(CCO)(H)	113.9250	0.794	21	113.9250	0.630	21	113.6050	0.560	67	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C-3:N-3:O-1:	C-4:C-3:H-1:	C(CNO)(NCH)(O)	C(CNO)(NCH)(O)	N(CC[6]HH)(CCO)(H)	C(CNO)(NCH)(O)	C(CNO)(NCH)(O)	N(CC[6]HH)(CCO)(H)	113.0985	0.270	4	113.0985	0.073	4	113.6050	0.560	67	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C-3:N-3:O-1:	C-4:C-3:H-1:	C(CNO)(NCH)(O)	C(CNO)(NCH)(O)	N(CC[6a]CH)(CCO)(H)	C(CNO)(NCH)(O)	C(CNO)(NCH)(O)	N(CC[6a]CH)(CCO)(H)	114.7580	0.000	1	114.7580	0.000	1	113.6050	0.560	67	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C-3:N-3:O-1:	C-4:C-3:H-1:	C(CNO)(NCH)(O)	C(CNO)(NCH)(O)	N(CC[6a]HH)(CCO)(H)	C(CNO)(NCH)(O)	C(CNO)(NCH)(O)	N(CC[6a]HH)(CCO)(H)	113.3189	0.631	31	113.3189	0.398	31	113.6050	0.560	67	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C-3:N-3:O-1:	C-4:C-3:H-1:	C(CNO)(NCH)(O)	C(CNO)(NHH)(O)	N(CCHH)(CCO)(H)	C(CNO)(NCH)(O)	C(CNO)(NHH)(O)	N(CCHH)(CCO)(H)	114.2940	0.000	1	114.2940	0.000	1	113.6050	0.560	67	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C-3:N-3:S-1:	C-4:C-3:H-1:	C(CNS)(NCH)(O)	C(CNO)(NCH)(S)	N(CCCH)(CCO)(H)	C(CNS)(NCH)(O)	C(CNO)(NCH)(S)	N(CCCH)(CCO)(H)	115.4840	0.197	2	115.4840	0.039	2	115.4840	0.039	2	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C[5]-3:C-3:H-1:	C-4:C-3:H-1:	C(CC[5]H)(NCH)(O)	C(C[5]C[5,5]O[5])(CNO)(H)	N(CCHH)(CCO)(H)	C(CC[5]H)(NCH)(O)	C(C[5]C[5,5]O[5])(CNO)(H)	N(CCHH)(CCO)(H)	114.8625	0.678	2	114.8625	0.460	2	114.8625	0.460	2	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C[5a]-3:C-3:O-1:	C-4:C-3:H-1:	C(CC[5a]O)(NCH)(O)	C(C[5a]C[5a,6a]C[5a])(CNO)(O)	N(CC[6a]HH)(CCO)(H)	C(CC[5a]O)(NCH)(O)	C(C[5a]C[5a,6a]C[5a])(CNO)(O)	N(CC[6a]HH)(CCO)(H)	114.9360	0.000	1	114.9360	0.000	1	114.4723	1.383	3	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C[5a]-3:C-3:O-1:	C-4:C-3:H-1:	C(CC[5a]O)(NCH)(O)	C(C[5a]C[5a,6a]C[5a])(CNO)(O)	N(CH3)(CCO)(H)	C(CC[5a]O)(NCH)(O)	C(C[5a]C[5a,6a]C[5a])(CNO)(O)	N(CH3)(CCO)(H)	113.1350	0.000	1	113.1350	0.000	1	114.4723	1.383	3	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C[5a]-3:C-3:O-1:	C-4:C-3:H-1:	C(CC[5a]O)(NCH)(O)	C(C[5a]C[5a]S[5a])(CNO)(O)	N(CC[6a]HH)(CCO)(H)	C(CC[5a]O)(NCH)(O)	C(C[5a]C[5a]S[5a])(CNO)(O)	N(CC[6a]HH)(CCO)(H)	115.3460	0.000	1	115.3460	0.000	1	114.4723	1.383	3	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C[5a]-3:C-3:O-1:	C[6]-4:C-3:H-1:	C(CC[5a]O)(NC[6]H)(O)	C(C[5a]C[5a,6a]C[5a])(CNO)(O)	N(C[6]C[6]2H)(CCO)(H)	C(CC[5a]O)(NC[6]H)(O)	C(C[5a]C[5a,6a]C[5a])(CNO)(O)	N(C[6]C[6]2H)(CCO)(H)	113.7565	1.111	2	113.7565	1.234	2	113.7565	1.234	2	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C[6a]-3:C-3:O-1:	C-4:C-3:H-1:	C(CC[6a]O)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(CC3)(CCO)(H)	C(CC[6a]O)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(CC3)(CCO)(H)	115.5430	0.439	3	115.5430	0.193	3	116.2020	1.587	6	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C[6a]-3:C-3:O-1:	C-4:C-3:H-1:	C(CC[6a]O)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(CCHH)(CCO)(H)	C(CC[6a]O)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(CCHH)(CCO)(H)	115.5770	0.000	1	115.5770	0.000	1	116.2020	1.587	6	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C[6a]-3:C-3:O-1:	C-4:C-3:H-1:	C(CC[6a]O)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(CC[6a]CH)(CCO)(H)	C(CC[6a]O)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(CC[6a]CH)(CCO)(H)	117.5030	1.573	2	117.5030	2.473	2	116.2020	1.587	6	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	C[6a]-3:C-3:O-1:	C[6]-4:C-3:H-1:	C(CC[6a]O)(NC[6]H)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(C[6]C[6]2H)(CCO)(H)	C(CC[6a]O)(NC[6]H)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(C[6]C[6]2H)(CCO)(H)	116.6700	0.001	2	116.6700	0.000	2	116.6700	0.000	2	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:O-1:	N-3:C-3:O-1:	C-4:C-3:H-1:	C(CNO)(NCH)(O)	C(NC[6a]H)(CNO)(O)	N(CCHH)(CCO)(H)	C(CNO)(NCH)(O)	C(NC[6a]H)(CNO)(O)	N(CCHH)(CCO)(H)	113.5415	0.821	6	113.5415	0.674	6	113.5415	0.674	6	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:S-1:	C-3:N-3:O-1:	C-4:C-3:H-1:	C(CNO)(NCH)(S)	C(CNS)(NCH)(O)	N(CCCH)(CCS)(H)	C(CNO)(NCH)(S)	C(CNS)(NCH)(O)	N(CCCH)(CCS)(H)	111.5675	0.535	2	111.5675	0.287	2	111.5675	0.287	2	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:S-1:	C-3:N-3:S-1:	C-4:C-3:H-1:	C(CNS)(NCH)(S)	C(CNS)(NCH)(S)	N(CCCH)(CCS)(H)	C(CNS)(NCH)(S)	C(CNS)(NCH)(S)	N(CCCH)(CCS)(H)	113.9705	0.016	2	113.9705	0.000	2	113.7014	0.160	9	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:S-1:	C-3:N-3:S-1:	C-4:C-3:H-1:	C(CNS)(NCH)(S)	C(CNS)(NCH)(S)	N(CCHH)(CCS)(H)	C(CNS)(NCH)(S)	C(CNS)(NCH)(S)	N(CCHH)(CCS)(H)	113.7963	0.595	3	113.7963	0.354	3	113.7014	0.160	9	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	C-3:N-3:S-1:	C-3:N-3:S-1:	C-4:C-3:H-1:	C(CNS)(NCH)(S)	C(CNS)(NCH)(S)	N(CC[6a]HH)(CCS)(H)	C(CNS)(NCH)(S)	C(CNS)(NCH)(S)	N(CC[6a]HH)(CCS)(H)	113.4958	0.278	4	113.4958	0.077	4	113.7014	0.160	9	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	N-3:C-3:H-1:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCH)(H)	C(CCN)(CHN)(H)	N(C[6]C[6]2H)(CCH)(H)	C(NC[6]H)(CCH)(H)	C(CCN)(CHN)(H)	N(C[6]C[6]2H)(CCH)(H)	127.3160	0.000	1	127.3160	0.000	1	127.3160	0.000	1	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	N-3:C-3:O-1:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCH)(O)	C(CCH)(CNO)(H)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCH)(O)	C(CCH)(CNO)(H)	N(C[6]C[6]2H)(CCO)(H)	115.7513	2.367	7	115.7513	5.603	7	115.4183	4.641	9	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	N-3:C-3:O-1:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCH)(O)	C(CHH)(CNO)(H)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCH)(O)	C(CHH)(CNO)(H)	N(C[6]C[6]2H)(CCO)(H)	114.2530	0.122	2	114.2530	0.015	2	115.4183	4.641	9	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:1:	N-3:C-3:O-1:	N-3:C-3:O-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CNO)(O)	C(NC[6]H)(CNO)(O)	N(C[6]C[6]2C)(CCO)(H)	C(NC[6]H)(CNO)(O)	C(NC[6]H)(CNO)(O)	N(C[6]C[6]2C)(CCO)(H)	111.9060	0.000	1	111.9060	0.000	1	111.9060	0.000	1	114.7711	6.946	207	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:2:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-3:N-2:	C(CCH)(NCN)(O)	C(CC[6a]H)(CNO)(H)	N(CH3)(CCO)(NO)	C(CCH)(NCN)(O)	C(CC[6a]H)(CNO)(H)	N(CH3)(CCO)(NO)	118.4600	0.000	1	118.4600	0.000	1	118.4600	0.000	1	118.4600	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:3:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C(CCH)(NCC)(H)	C(CC[5]H)(CHN)(H)	N(CH3)(CCH)(CCO)	C(CCH)(NCC)(H)	C(CC[5]H)(CHN)(H)	N(CH3)(CCH)(CCO)	128.6490	0.000	1	128.6490	0.000	1	128.6490	0.000	1	123.0344	24.080	20	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:3:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-4:C-3:N-3:	C(CCH)(NCN)(H)	C(CC[6a]H)(CHN)(H)	N(CC[6a]CH)(CCH)(NCH)	C(CCH)(NCN)(H)	C(CC[6a]H)(CHN)(H)	N(CC[6a]CH)(CCH)(NCH)	125.4080	0.827	2	125.4080	0.684	2	125.4080	0.684	2	123.0344	24.080	20	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:3:	C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C-4:C-3:C-3:	C(CC[6a]H)(NCC)(H)	C(C[6a]C[6a]2)(CHN)(H)	N(CCHH)(CCH)(CCO)	C(CC[6a]H)(NCC)(H)	C(C[6a]C[6a]2)(CHN)(H)	N(CCHH)(CCH)(CCO)	126.7140	0.000	1	126.7140	0.000	1	125.5095	3.059	4	123.0344	24.080	20	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:3:	C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C-4:C-3:C-3:	C(CC[6a]H)(NCC)(H)	C(C[6a]C[6a]2)(CHN)(H)	N(CH3)(CCH)(CCO)	C(CC[6a]H)(NCC)(H)	C(C[6a]C[6a]2)(CHN)(H)	N(CH3)(CCH)(CCO)	125.1080	1.903	3	125.1080	3.621	3	125.5095	3.059	4	123.0344	24.080	20	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:3:	C-3:N-3:H-1:	N-3:C-3:H-1:	C-4:C-3:C-3:	C(CHN)(NCC)(H)	C(NC[6a]H)(CHN)(H)	N(CC[6a]HH)(CCH)(CHO)	C(CHN)(NCC)(H)	C(NC[6a]H)(CHN)(H)	N(CC[6a]HH)(CCH)(CHO)	127.1304	2.172	5	127.1304	4.716	5	127.1304	4.716	5	123.0344	24.080	20	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:3:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C(CCH)(NCC)(O)	C(CC[6a]H)(CNO)(H)	N(CH3)(CCH)(CCO)	C(CCH)(NCC)(O)	C(CC[6a]H)(CNO)(H)	N(CH3)(CCH)(CCO)	117.7845	0.715	2	117.7845	0.511	2	117.7845	0.511	2	123.0344	24.080	20	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:3:	C-3:N-3:O-1:	C-3:N-3:O-1:	C-4:C-3:C-3:	C(CNO)(NCC)(O)	C(CNO)(NCC)(O)	N(CCHH)(CCC)(CCO)	C(CNO)(NCC)(O)	C(CNO)(NCC)(O)	N(CCHH)(CCC)(CCO)	116.1390	0.000	1	116.1390	0.000	1	116.1833	0.270	3	123.0344	24.080	20	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:3:	C-3:N-3:O-1:	C-3:N-3:O-1:	C-4:C-3:C-3:	C(CNO)(NCC)(O)	C(CNO)(NCC)(O)	N(CC[6a]HH)(CC[6a]C)(CCO)	C(CNO)(NCC)(O)	C(CNO)(NCC)(O)	N(CC[6a]HH)(CC[6a]C)(CCO)	115.6870	0.000	1	115.6870	0.000	1	116.1833	0.270	3	123.0344	24.080	20	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:3:	C-3:N-3:O-1:	C-3:N-3:O-1:	C-4:C-3:C-3:	C(CNO)(NCC)(O)	C(CNO)(NCC)(O)	N(CH3)(CCC)(CCO)	C(CNO)(NCC)(O)	C(CNO)(NCC)(O)	N(CH3)(CCC)(CCO)	116.7240	0.000	1	116.7240	0.000	1	116.1833	0.270	3	123.0344	24.080	20	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:3:	N-3:C-3:H-1:	C-3:N-3:H-1:	C[5]-4:C-3:C-3:	C(NC[5]C)(CHN)(H)	C(CHN)(NCH)(H)	N(C[5]C[5]O[5]H)(CCH)(CNO)	C(NC[5]C)(CHN)(H)	C(CHN)(NCH)(H)	N(C[5]C[5]O[5]H)(CCH)(CNO)	125.5040	0.000	1	125.5040	0.000	1	125.5040	0.000	1	123.0344	24.080	20	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:3:	N-3:C-3:O-1:	C-3:C-3:H-1:	C[6]-4:C-3:C-3:	C(NC[6]C)(CCH)(O)	C(CC[6a]N)(CNO)(H)	N(C[6]C[6]2H)(CCO)2	C(NC[6]C)(CCH)(O)	C(CC[6a]N)(CNO)(H)	N(C[6]C[6]2H)(CCO)2	117.5050	0.000	1	117.5050	0.000	1	117.5050	0.000	1	123.0344	24.080	20	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:3:3:	N-3:C-3:O-1:	C-3:C-3:H-1:	C[6]-4:C[6a]-3:C-3:	C(NC[6a]C[6])(CCH)(O)	C(CHH)(CNO)(H)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	C(NC[6a]C[6])(CCH)(O)	C(CHH)(CNO)(H)	N(C[6]C[6]O[6]H)(C[6a]C[6a]2)(CCO)	116.4050	0.000	1	116.4050	0.000	1	116.4050	0.000	1	123.0344	24.080	20	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:Br-1:	C[6a]-3:C-3:Br-1:	S-4:C-4:C-3:	C(CC[6a]Br)(NCS)(Br)	C(C[6a]C[6a]2)(CBrN)(Br)	N(SC[6a]OO)(CCHH)(CBrC)	C(CC[6a]Br)(NCS)(Br)	C(C[6a]C[6a]2)(CBrN)(Br)	N(SC[6a]OO)(CCHH)(CBrC)	126.3530	0.000	1	126.3530	0.000	1	126.3530	0.000	1	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:F-1:	C[6a]-3:C-3:H-1:	C-4:S-4:C-3:	C(CC[6a]H)(NCS)(F)	C(C[6a]C[6a]2)(CFN)(H)	N(CC[6a]HH)(SC[6a]OO)(CCF)	C(CC[6a]H)(NCS)(F)	C(C[6a]C[6a]2)(CFN)(H)	N(CC[6a]HH)(SC[6a]OO)(CCF)	130.2420	0.000	1	130.2420	0.000	1	130.2420	0.000	1	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:F-1:	C[6a]-3:C-3:I-1:	C-4:S-4:C-3:	C(CC[6a]I)(NCS)(F)	C(C[6a]C[6a]2)(CFN)(I)	N(CC[6a]HH)(SC[6a]OO)(CCF)	C(CC[6a]I)(NCS)(F)	C(C[6a]C[6a]2)(CFN)(I)	N(CC[6a]HH)(SC[6a]OO)(CCF)	129.6920	0.000	1	129.6920	0.000	1	129.6920	0.000	1	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)(NCC)(H)	C(CCH)(CHN)(H)	N(CCHH)(CH3)(CCH)	C(CCH)(NCC)(H)	C(CCH)(CHN)(H)	N(CCHH)(CH3)(CCH)	126.5310	0.000	1	126.5310	0.000	1	127.4347	0.980	29	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)(NCC)(H)	C(CCH)(CHN)(H)	N(CCHH)2(CCH)	C(CCH)(NCC)(H)	C(CCH)(CHN)(H)	N(CCHH)2(CCH)	127.9604	0.591	5	127.9604	0.349	5	127.4347	0.980	29	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)(NCC)(H)	C(CCO)(CHN)(H)	N(CH3)2(CCH)	C(CCH)(NCC)(H)	C(CCO)(CHN)(H)	N(CH3)2(CCH)	127.6710	0.000	1	127.6710	0.000	1	127.4347	0.980	29	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)(NCC)(H)	C(CC[5a]O)(CHN)(H)	N(CH3)2(CCH)	C(CCH)(NCC)(H)	C(CC[5a]O)(CHN)(H)	N(CH3)2(CCH)	127.0872	1.256	4	127.0872	1.578	4	127.4347	0.980	29	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)(NCC)(H)	C(CC[6]O)(CHN)(H)	N(CH3)2(CCH)	C(CCH)(NCC)(H)	C(CC[6]O)(CHN)(H)	N(CH3)2(CCH)	127.1830	1.491	4	127.1830	2.224	4	127.4347	0.980	29	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)(NCC)(H)	C(CC[6a]C)(CHN)(H)	N(CCHH)2(CCH)	C(CCH)(NCC)(H)	C(CC[6a]C)(CHN)(H)	N(CCHH)2(CCH)	126.3920	0.000	1	126.3920	0.000	1	127.4347	0.980	29	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)(NCC)(H)	C(CC[6a]N)(CHN)(H)	N(CH3)2(CCH)	C(CCH)(NCC)(H)	C(CC[6a]N)(CHN)(H)	N(CH3)2(CCH)	126.2833	0.198	3	126.2833	0.039	3	127.4347	0.980	29	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)(NCC)(H)	C(CC[6a]O)(CHN)(H)	N(CH3)2(CCH)	C(CCH)(NCC)(H)	C(CC[6a]O)(CHN)(H)	N(CH3)2(CCH)	127.8380	0.647	9	127.8380	0.419	9	127.4347	0.980	29	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)(NCC)(H)	C(CHN)(COO)(H)	N(CFe2C)(CH3)(CCH)	C(CCH)(NCC)(H)	C(CHN)(COO)(H)	N(CFe2C)(CH3)(CCH)	128.7370	0.000	1	128.7370	0.000	1	127.4347	0.980	29	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:H-1:	C-3:C-3:H-1:	C-4:S-4:C-3:	C(CCH)(NCS)(H)	C(CHN)(COO)(H)	N(CC[6a]HH)(SC[6a]OO)(CCH)	C(CCH)(NCS)(H)	C(CHN)(COO)(H)	N(CC[6a]HH)(SC[6a]OO)(CCH)	125.5600	0.000	1	125.5600	0.000	1	125.5600	0.000	1	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:H-1:	C-3:C-3:H-1:	S-4:C-4:C-3:	C(CCH)(NCS)(H)	C(CC[6a]C[4])(CHN)(H)	N(SC[6a]OO)(CC[4]HH)(CCH)	C(CCH)(NCS)(H)	C(CC[6a]C[4])(CHN)(H)	N(SC[6a]OO)(CC[4]HH)(CCH)	128.5470	0.000	1	128.5470	0.000	1	128.5470	0.000	1	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:H-1:	C-3:N-3:H-1:	S-4:C-4:C-3:	C(CHN)(NCS)(H)	C(CHN)(NCS)(H)	N(SC[6a]OO)(CCHH)(CCH)	C(CHN)(NCS)(H)	C(CHN)(NCS)(H)	N(SC[6a]OO)(CCHH)(CCH)	128.5240	0.000	1	128.5240	0.000	1	128.5240	0.000	1	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:H-1:	C[5a]-3:C-3:H-1:	C-4:C-4:C-3:	C(CC[5a]H)(NCC)(H)	C(C[5a]C[5a]N[5a])(CHN)(H)	N(CH3)2(CCH)	C(CC[5a]H)(NCC)(H)	C(C[5a]C[5a]N[5a])(CHN)(H)	N(CH3)2(CCH)	128.0095	0.084	2	128.0095	0.007	2	127.8213	0.932	6	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:H-1:	C[5a]-3:C-3:H-1:	C-4:C-4:C-3:	C(CC[5a]H)(NCC)(H)	C(C[5a]C[5a]O[5a])(CHN)(H)	N(CH3)2(CCH)	C(CC[5a]H)(NCC)(H)	C(C[5a]C[5a]O[5a])(CHN)(H)	N(CH3)2(CCH)	127.1295	1.023	2	127.1295	1.047	2	127.8213	0.932	6	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:H-1:	C[5a]-3:C-3:H-1:	C-4:C-4:C-3:	C(CC[5a]H)(NCC)(H)	C(C[5a]N[5a,6]C[5a])(CHN)(H)	N(CCHH)2(CCH)	C(CC[5a]H)(NCC)(H)	C(C[5a]N[5a,6]C[5a])(CHN)(H)	N(CCHH)2(CCH)	128.3250	1.440	2	128.3250	2.073	2	127.8213	0.932	6	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:H-1:	C[6]-3:C-3:H-1:	C-4:C-4:C-3:	C(CC[6]H)(NCC)(H)	C(C[6]C[5a,6]2)(CHN)(H)	N(CCCH)2(CCH)	C(CC[6]H)(NCC)(H)	C(C[6]C[5a,6]2)(CHN)(H)	N(CCCH)2(CCH)	128.0340	0.000	2	128.0340	0.000	2	126.6168	2.118	6	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:H-1:	C[6]-3:C-3:H-1:	C-4:C-4:C-3:	C(CC[6]H)(NCC)(H)	C(C[6]C[5a,6]2)(CHN)(H)	N(CCHH)2(CCH)	C(CC[6]H)(NCC)(H)	C(C[6]C[5a,6]2)(CHN)(H)	N(CCHH)2(CCH)	126.9610	0.000	2	126.9610	0.000	2	126.6168	2.118	6	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:H-1:	C[6]-3:C-3:H-1:	C-4:C-4:C-3:	C(CC[6]H)(NCC)(H)	C(C[6]C[5a,6]2)(CHN)(H)	N(CH3)2(CCH)	C(CC[6]H)(NCC)(H)	C(C[6]C[5a,6]2)(CHN)(H)	N(CH3)2(CCH)	125.1130	0.000	1	125.1130	0.000	1	126.6168	2.118	6	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:H-1:	C[6]-3:C-3:H-1:	C-4:C-4:C-3:	C(CC[6]H)(NCC)(H)	C(C[6]C[6]2)(CHN)(H)	N(CCHH)2(CCH)	C(CC[6]H)(NCC)(H)	C(C[6]C[6]2)(CHN)(H)	N(CCHH)2(CCH)	124.5980	0.000	1	124.5980	0.000	1	126.6168	2.118	6	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C-4:C-4:C-3:	C(CC[6a]H)(NCC)(H)	C(C[6a]C[6a]2)(CHN)(H)	N(CH3)2(CCH)	C(CC[6a]H)(NCC)(H)	C(C[6a]C[6a]2)(CHN)(H)	N(CH3)2(CCH)	125.9087	0.944	3	125.9087	0.891	3	126.5166	1.367	5	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	C-4:C-4:C-3:	C(CC[6a]H)(NCC)(H)	C(C[6a]C[6a]N[6a])(CHN)(H)	N(CH3)2(CCH)	C(CC[6a]H)(NCC)(H)	C(C[6a]C[6a]N[6a])(CHN)(H)	N(CH3)2(CCH)	127.4285	0.957	2	127.4285	0.915	2	126.5166	1.367	5	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	S-4:S-4:C-3:	C(CC[6a]H)(NSS)(H)	C(C[6a]C[6a]2)(CHN)(H)	N(SC[6a]OO)2(CCH)	C(CC[6a]H)(NSS)(H)	C(C[6a]C[6a]2)(CHN)(H)	N(SC[6a]OO)2(CCH)	136.1040	0.000	1	136.1040	0.000	1	136.1040	0.000	1	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:O-1:	C-3:C-3:Br-1:	C-4:S-4:C-3:	C(CBrC)(NCS)(O)	C(CCH)(CNO)(Br)	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(CBrC)(NCS)(O)	C(CCH)(CNO)(Br)	N(CC[6a]HH)(SC[6a]OO)(CCO)	117.3030	0.000	1	117.3030	0.000	1	117.3030	0.000	1	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:O-1:	C-3:C-3:Cl-1:	C-4:S-4:C-3:	C(CClC)(NCS)(O)	C(CCH)(CNO)(Cl)	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(CClC)(NCS)(O)	C(CCH)(CNO)(Cl)	N(CC[6a]HH)(SC[6a]OO)(CCO)	116.7020	0.000	1	116.7020	0.000	1	116.7020	0.000	1	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)(NCC)(O)	C(CCH)(CNO)(H)	N(CCHH)(CH3)(CCO)	C(CCH)(NCC)(O)	C(CCH)(CNO)(H)	N(CCHH)(CH3)(CCO)	117.9540	0.000	1	117.9540	0.000	1	118.7841	2.589	17	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)(NCC)(O)	C(CCH)(CNO)(H)	N(CC[6a]HH)2(CCO)	C(CCH)(NCC)(O)	C(CCH)(CNO)(H)	N(CC[6a]HH)2(CCO)	117.3073	0.401	3	117.3073	0.161	3	118.7841	2.589	17	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)(NCC)(O)	C(CCH)(CNO)(H)	N(CH3)2(CCO)	C(CCH)(NCC)(O)	C(CCH)(CNO)(H)	N(CH3)2(CCO)	118.6350	0.000	1	118.6350	0.000	1	118.7841	2.589	17	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)(NCC)(O)	C(CCO)(CNO)(H)	N(CCCH)(CCHH)(CCO)	C(CCH)(NCC)(O)	C(CCO)(CNO)(H)	N(CCCH)(CCHH)(CCO)	121.4800	0.078	2	121.4800	0.006	2	118.7841	2.589	17	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)(NCC)(O)	C(CCO)(CNO)(H)	N(CCHH)(CH3)(CCO)	C(CCH)(NCC)(O)	C(CCO)(CNO)(H)	N(CCHH)(CH3)(CCO)	120.1570	0.000	1	120.1570	0.000	1	118.7841	2.589	17	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)(NCC)(O)	C(CC[5]H)(CNO)(H)	N(CH3)2(CCO)	C(CCH)(NCC)(O)	C(CC[5]H)(CNO)(H)	N(CH3)2(CCO)	117.5200	0.000	1	117.5200	0.000	1	118.7841	2.589	17	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)(NCC)(O)	C(CC[5a]C)(CNO)(H)	N(CC[6a]CH)(CCCH)(CCO)	C(CCH)(NCC)(O)	C(CC[5a]C)(CNO)(H)	N(CC[6a]CH)(CCCH)(CCO)	120.0230	0.000	1	120.0230	0.000	1	118.7841	2.589	17	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)(NCC)(O)	C(CC[6a]C)(CNO)(H)	N(CCHH)2(CCO)	C(CCH)(NCC)(O)	C(CC[6a]C)(CNO)(H)	N(CCHH)2(CCO)	117.7820	0.000	1	117.7820	0.000	1	118.7841	2.589	17	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)(NCC)(O)	C(CC[6a]H)(CNO)(H)	N(CH3)2(CCO)	C(CCH)(NCC)(O)	C(CC[6a]H)(CNO)(H)	N(CH3)2(CCO)	117.9380	0.000	1	117.9380	0.000	1	118.7841	2.589	17	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)(NCC)(O)	C(CC[6a]N)(CNO)(H)	N(CCHH)2(CCO)	C(CCH)(NCC)(O)	C(CC[6a]N)(CNO)(H)	N(CCHH)2(CCO)	116.2390	0.000	1	116.2390	0.000	1	118.7841	2.589	17	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)(NCC)(O)	C(CC[6a]O)(CNO)(H)	N(CCHH)(CH3)(CCO)	C(CCH)(NCC)(O)	C(CC[6a]O)(CNO)(H)	N(CCHH)(CH3)(CCO)	119.8575	0.764	2	119.8575	0.584	2	118.7841	2.589	17	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)(NCC)(O)	C(CHH)(CNO)(H)	N(CC[6a]HH)(CC3)(CCO)	C(CCH)(NCC)(O)	C(CHH)(CNO)(H)	N(CC[6a]HH)(CC3)(CCO)	118.0620	0.000	1	118.0620	0.000	1	118.7841	2.589	17	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:O-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)(NCC)(O)	C(CN[5a]H)(CNO)(H)	N(CC[5a]CH)(CC[6a]HH)(CCO)	C(CCH)(NCC)(O)	C(CN[5a]H)(CNO)(H)	N(CC[5a]CH)(CC[6a]HH)(CCO)	120.4230	0.000	1	120.4230	0.000	1	118.7841	2.589	17	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:O-1:	C-3:C-3:H-1:	S-4:C-4:C-3:	C(CCH)(NCS)(O)	C(CHH)(CNO)(H)	N(SC[6a]OO)(CCHH)(CCO)	C(CCH)(NCS)(O)	C(CHH)(CNO)(H)	N(SC[6a]OO)(CCHH)(CCO)	124.6920	0.000	1	124.6920	0.000	1	124.6920	0.000	1	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:O-1:	C-3:C-3:I-1:	C-4:S-4:C-3:	C(CCI)(NCS)(O)	C(CCH)(CNO)(I)	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(CCI)(NCS)(O)	C(CCH)(CNO)(I)	N(CC[6a]HH)(SC[6a]OO)(CCO)	114.5080	0.000	1	114.5080	0.000	1	114.5080	0.000	1	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:O-1:	C-3:C-3:O-1:	C-4:C-4:C-3:	C(CCO)(NCC)(O)	C(CCO)(CNO)(O)	N(CCCH)2(CCO)	C(CCO)(NCC)(O)	C(CCO)(CNO)(O)	N(CCCH)2(CCO)	117.8200	0.349	2	117.8200	0.122	2	117.8200	0.122	2	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:O-1:	C-3:N-3:O-1:	C-4:C-4:C-3:	C(CNO)(NCC)(O)	C(CNO)(NCC)(O)	N(CCCH)2(CCO)	C(CNO)(NCC)(O)	C(CNO)(NCC)(O)	N(CCCH)2(CCO)	118.4015	1.177	2	118.4015	1.386	2	118.1095	1.126	4	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:O-1:	C-3:N-3:O-1:	C-4:C-4:C-3:	C(CNO)(NCC)(O)	C(CNO)(NCC)(O)	N(CC[6a]HH)(CCHH)(CCO)	C(CNO)(NCC)(O)	C(CNO)(NCC)(O)	N(CC[6a]HH)(CCHH)(CCO)	117.8175	1.285	2	117.8175	1.651	2	118.1095	1.126	4	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:O-1:	C[5a]-3:C-3:O-1:	C-4:C-4:C-3:	C(CC[5a]O)(NCC)(O)	C(C[5a]C[5a,6a]C[5a])(CNO)(O)	N(CCHH)2(CCO)	C(CC[5a]O)(NCC)(O)	C(C[5a]C[5a,6a]C[5a])(CNO)(O)	N(CCHH)2(CCO)	117.0770	0.000	1	117.0770	0.000	1	117.4940	0.348	2	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:O-1:	C[5a]-3:C-3:O-1:	C-4:C-4:C-3:	C(CC[5a]O)(NCC)(O)	C(C[5a]C[5a,6a]C[5a])(CNO)(O)	N(CH3)2(CCO)	C(CC[5a]O)(NCC)(O)	C(C[5a]C[5a,6a]C[5a])(CNO)(O)	N(CH3)2(CCO)	117.9110	0.000	1	117.9110	0.000	1	117.4940	0.348	2	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:O-1:	C[6]-3:C-3:Cl-1:	C-4:C-4:C-3:	C(CC[6]Cl)(NCC)(O)	C(C[6]C[6]2)(CNO)(Cl)	N(CC[6a]HH)(CC[6]HH)(CCO)	C(CC[6]Cl)(NCC)(O)	C(C[6]C[6]2)(CNO)(Cl)	N(CC[6a]HH)(CC[6]HH)(CCO)	113.5120	0.000	1	113.5120	0.000	1	113.5120	0.000	1	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:O-1:	C[6]-3:C-3:H-1:	C-4:C-4:C-3:	C(CC[6]H)(NCC)(O)	C(C[6]C[6,6a]C[6])(CNO)(H)	N(CCHH)2(CCO)	C(CC[6]H)(NCC)(O)	C(C[6]C[6,6a]C[6])(CNO)(H)	N(CCHH)2(CCO)	119.5730	0.000	1	119.5730	0.000	1	118.7955	1.209	2	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:O-1:	C[6]-3:C-3:H-1:	C-4:C-4:C-3:	C(CC[6]H)(NCC)(O)	C(C[6]C[6]O[6])(CNO)(H)	N(CCHH)2(CCO)	C(CC[6]H)(NCC)(O)	C(C[6]C[6]O[6])(CNO)(H)	N(CCHH)2(CCO)	118.0180	0.000	1	118.0180	0.000	1	118.7955	1.209	2	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:O-1:	C[6a]-3:C-3:O-1:	C-4:C-4:C-3:	C(CC[6a]O)(NCC)(O)	C(C[6a]C[6a,6a]C[6a])(CNO)(O)	N(CH3)2(CCO)	C(CC[6a]O)(NCC)(O)	C(C[6a]C[6a,6a]C[6a])(CNO)(O)	N(CH3)2(CCO)	118.7690	0.000	1	118.7690	0.000	1	118.9603	0.751	13	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:O-1:	C[6a]-3:C-3:O-1:	C-4:C-4:C-3:	C(CC[6a]O)(NCC)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(CCCH)2(CCO)	C(CC[6a]O)(NCC)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(CCCH)2(CCO)	118.7168	0.887	9	118.7168	0.786	9	118.9603	0.751	13	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:O-1:	C[6a]-3:C-3:O-1:	C-4:C-4:C-3:	C(CC[6a]O)(NCC)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(CCHH)(CH3)(CCO)	C(CC[6a]O)(NCC)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(CCHH)(CH3)(CCO)	119.8480	0.460	2	119.8480	0.211	2	118.9603	0.751	13	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:O-1:	C[6a]-3:C-3:O-1:	C-4:C-4:C-3:	C(CC[6a]O)(NCC)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(CH3)2(CCO)	C(CC[6a]O)(NCC)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(CH3)2(CCO)	119.5680	0.000	1	119.5680	0.000	1	118.9603	0.751	13	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:O-1:	C[6a]-3:C-3:O-1:	S-4:C-4:C-3:	C(CC[6a]O)(NCS)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(SC[6a]OO)(CC[3]HH)(CCO)	C(CC[6a]O)(NCS)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(SC[6a]OO)(CC[3]HH)(CCO)	123.0330	0.000	1	123.0330	0.000	1	123.0330	0.000	1	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:O-1:	N[5]-3:C-3:O-1:	C-4:C-4:C-3:	C(CN[5]O)(NCC)(O)	C(N[5]C[5,6a]C[5])(CNO)(O)	N(CC[6a]HH)(CCHH)(CCO)	C(CN[5]O)(NCC)(O)	C(N[5]C[5,6a]C[5])(CNO)(O)	N(CC[6a]HH)(CCHH)(CCO)	114.9830	0.000	1	114.9830	0.000	1	116.1190	2.581	2	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:O-1:	N[5]-3:C-3:O-1:	C-4:C-4:C-3:	C(CN[5]O)(NCC)(O)	C(N[5]C[5]2)(CNO)(O)	N(CCCH)2(CCO)	C(CN[5]O)(NCC)(O)	C(N[5]C[5]2)(CNO)(O)	N(CCCH)2(CCO)	117.2550	0.000	1	117.2550	0.000	1	116.1190	2.581	2	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:S-1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)(NCC)(S)	C(CSiH)(CNS)(H)	N(CH3)2(CCS)	C(CCH)(NCC)(S)	C(CSiH)(CNS)(H)	N(CH3)2(CCS)	117.7700	0.000	1	117.7700	0.000	1	117.7700	0.000	1	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:Se-1:	C[6a]-3:C-3:O-1:	C-4:C-4:C-3:	C(CC[6a]O)(NCC)(Se)	C(C[6a]C[6a]2)(CSeN)(O)	N(CCHH)2(CSeC)	C(CC[6a]O)(NCC)(Se)	C(C[6a]C[6a]2)(CSeN)(O)	N(CCHH)2(CSeC)	118.9627	0.284	3	118.9627	0.081	3	119.3148	0.484	5	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:Se-1:	C[6a]-3:C-3:O-1:	C-4:C-4:C-3:	C(CC[6a]O)(NCC)(Se)	C(C[6a]C[6a]2)(CSeN)(O)	N(CC[6a]HH)2(CSeC)	C(CC[6a]O)(NCC)(Se)	C(C[6a]C[6a]2)(CSeN)(O)	N(CC[6a]HH)2(CSeC)	119.1930	0.000	1	119.1930	0.000	1	119.3148	0.484	5	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:Se-1:	C[6a]-3:C-3:O-1:	C-4:C-4:C-3:	C(CC[6a]O)(NCC)(Se)	C(C[6a]C[6a]N[6a])(CSeN)(O)	N(CCHH)2(CSeC)	C(CC[6a]O)(NCC)(Se)	C(C[6a]C[6a]N[6a])(CSeN)(O)	N(CCHH)2(CSeC)	120.4930	0.000	1	120.4930	0.000	1	119.3148	0.484	5	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C[5]-4:S-4:C-3:	C(NC[5]S)(CCH)(H)	C(CHH)(CHN)(H)	N(C[5]C[5]2H)(SCOO)(CCH)	C(NC[5]S)(CCH)(H)	C(CHH)(CHN)(H)	N(C[5]C[5]2H)(SCOO)(CCH)	114.4770	0.000	1	114.4770	0.000	1	114.4770	0.000	1	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	N-3:C-3:O-1:	C-3:C-3:H-1:	C[3]-4:C-4:C-3:	C(NC[3]C)(CCH)(O)	C(CC[5a]H)(CNO)(H)	N(C[3]C[3]2H)(CCHH)(CCO)	C(NC[3]C)(CCH)(O)	C(CC[5a]H)(CNO)(H)	N(C[3]C[3]2H)(CCHH)(CCO)	118.3570	0.176	3	118.3570	0.031	3	118.3570	0.031	3	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:1:	4:4:3:	N-3:C-3:O-1:	C-3:C-3:H-1:	C[6]-4:C[6]-4:C-3:	C(NC[6]2)(CCH)(O)	C(CClC)(CNO)(H)	N(C[6]C[6]2H)2(CCO)	C(NC[6]2)(CCH)(O)	C(CClC)(CNO)(H)	N(C[6]C[6]2H)2(CCO)	117.8580	0.000	1	117.8580	0.000	1	117.8580	0.000	1	122.7683	23.881	112	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:1:1:	C-3:N-3:H-1:	C-3:C-3:C-2:	C-3:H-1:H-1:	C(CCC)(NHH)(H)	C(CHN)(COO)(CN)	N(CCH)(H)2	C(CCC)(NHH)(H)	C(CHN)(COO)(CN)	N(CCH)(H)2	126.9600	0.000	1	126.9600	0.000	1	126.9600	0.000	1	117.9381	10.939	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:1:1:	C-3:N-3:H-1:	C-3:C-3:S-2:	C-3:H-1:H-1:	C(CCS)(NHH)(H)	C(CC[6a]O)(CHN)(SC)	N(CCH)(H)2	C(CCS)(NHH)(H)	C(CC[6a]O)(CHN)(SC)	N(CCH)(H)2	126.9970	0.000	1	126.9970	0.000	1	126.9970	0.000	1	117.9381	10.939	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:1:1:	C-3:N-3:H-1:	C-3:N-3:S-2:	C-3:O-1:O-1:	C(CNS)(NOO)(H)	C(CHN)(NCH)(SC)	N(CCH)(O)2	C(CNS)(NOO)(H)	C(CHN)(NCH)(SC)	N(CCH)(O)2	123.8470	0.000	1	123.8470	0.000	1	123.8470	0.000	1	117.9381	10.939	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:1:1:	C-3:N-3:H-1:	C[6a]-3:C-3:S-2:	C-3:O-1:O-1:	C(CC[6a]S)(NOO)(H)	C(C[6a]C[6a]2)(CHN)(SC)	N(CCH)(O)2	C(CC[6a]S)(NOO)(H)	C(C[6a]C[6a]2)(CHN)(SC)	N(CCH)(O)2	124.2180	0.000	1	124.2180	0.000	1	124.2180	0.000	1	117.9381	10.939	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:1:1:	C-3:N-3:O-1:	C-3:C-3:C-2:	C-3:H-1:H-1:	C(CCC)(NHH)(O)	C(CC[6a]H)(CNO)(CN)	N(CCO)(H)2	C(CCC)(NHH)(O)	C(CC[6a]H)(CNO)(CN)	N(CCO)(H)2	117.1615	0.457	13	117.1615	0.209	13	117.7479	2.582	15	117.9381	10.939	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:1:1:	C-3:N-3:O-1:	C-3:C-3:C-2:	C-3:H-1:H-1:	C(CCC)(NHH)(O)	C(CNO)2(CN)	N(CCO)(H)2	C(CCC)(NHH)(O)	C(CNO)2(CN)	N(CCO)(H)2	121.5600	0.330	2	121.5600	0.109	2	117.7479	2.582	15	117.9381	10.939	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:1:1:	C-3:N-3:O-1:	C-3:C-3:S-2:	C-3:H-1:H-1:	C(CCS)(NHH)(O)	C(CCS)(CNO)(SNi)	N(CCO)(H)2	C(CCS)(NHH)(O)	C(CCS)(CNO)(SNi)	N(CCO)(H)2	116.5280	0.586	4	116.5280	0.344	4	116.5280	0.344	4	117.9381	10.939	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:1:1:	C-3:N-3:O-1:	C-3:N-3:C-2:	C-3:H-1:H-1:	C(CCN)(NHH)(O)	C(CNO)(NOO)(CN)	N(CCO)(H)2	C(CCN)(NHH)(O)	C(CNO)(NOO)(CN)	N(CCO)(H)2	119.9970	0.000	1	119.9970	0.000	1	119.9970	0.000	1	117.9381	10.939	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:1:1:	C-3:N-3:O-1:	C-3:N-3:O-2:	C-3:H-1:H-1:	C(CNO)(NHH)(O)	C(CNO)(NHN)(OFe)	N(CCO)(H)2	C(CNO)(NHH)(O)	C(CNO)(NHN)(OFe)	N(CCO)(H)2	113.0085	0.408	2	113.0085	0.166	2	113.0085	0.166	2	117.9381	10.939	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:1:1:	C-3:N-3:O-1:	C[5]-3:C-3:C-2:	C-3:H-1:H-1:	C(CC[5]C)(NHH)(O)	C(C[5]C[5]N[5])(CNO)(CN)	N(CCO)(H)2	C(CC[5]C)(NHH)(O)	C(C[5]C[5]N[5])(CNO)(CN)	N(CCO)(H)2	117.6350	0.000	1	117.6350	0.000	1	117.6350	0.000	1	117.9381	10.939	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:1:1:	C-3:N-3:O-1:	N[5]-3:C-3:C-2:	C-3:H-1:H-1:	C(CN[5]C)(NHH)(O)	C(N[5]C[5]2)(CNO)(CC)	N(CCO)(H)2	C(CN[5]C)(NHH)(O)	C(N[5]C[5]2)(CNO)(CC)	N(CCO)(H)2	116.3630	0.000	1	116.3630	0.000	1	116.3630	0.000	1	117.9381	10.939	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:1:1:	C-3:N-3:S-1:	C-3:C-3:C-2:	C-3:H-1:H-1:	C(CCC)(NHH)(S)	C(CC[6a]H)(CNS)(CN)	N(CCS)(H)2	C(CCC)(NHH)(S)	C(CC[6a]H)(CNS)(CN)	N(CCS)(H)2	116.4526	1.000	5	116.4526	1.000	5	116.4526	1.000	5	117.9381	10.939	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:1:1:	C-3:N-3:S-1:	C-3:N-3:S-2:	C-3:H-1:H-1:	C(CNS)(NHH)(S)	C(CNS)(NHH)(SAg)	N(CCS)(H)2	C(CNS)(NHH)(S)	C(CNS)(NHH)(SAg)	N(CCS)(H)2	113.7440	0.000	1	113.7440	0.000	1	113.7440	0.000	1	117.9381	10.939	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:1:1:	C-3:N-3:S-1:	C[5]-3:C-3:C-2:	C-3:H-1:H-1:	C(CC[5]C)(NHH)(S)	C(C[5]N[5]S[5])(CNS)(CN)	N(CCS)(H)2	C(CC[5]C)(NHH)(S)	C(C[5]N[5]S[5])(CNS)(CN)	N(CCS)(H)2	117.4600	0.000	1	117.4600	0.000	1	117.4600	0.000	1	117.9381	10.939	35	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:2:1:	C-3:N-3:H-1:	C[6a]-3:C-3:O-2:	C-3:O-2:O-1:	C(CC[6a]O)(NOO)(H)	C(C[6a]C[6a]2)(CHN)(OMn)	N(CCH)(OMn)(O)	C(CC[6a]O)(NOO)(H)	C(C[6a]C[6a]2)(CHN)(OMn)	N(CCH)(OMn)(O)	125.5400	0.000	1	125.5400	0.000	1	125.5400	0.000	1	116.0704	16.818	8	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:2:1:	C-3:N-3:O-1:	C[6a]-3:C-3:N-2:	C-3:N-2:H-1:	C(CC[6a]N)(NHN)(O)	C(C[6a]C[6a]2)(CNO)(NO)	N(CCO)(NC)(H)	C(CC[6a]N)(NHN)(O)	C(C[6a]C[6a]2)(CNO)(NO)	N(CCO)(NC)(H)	115.3043	0.417	3	115.3043	0.173	3	115.3410	0.121	4	116.0704	16.818	8	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:2:1:	C-3:N-3:O-1:	C[6a]-3:C-3:N-2:	C-3:N-2:H-1:	C(CC[6a]N)(NHN)(O)	C(C[6a]C[6a]N[6a])(CNO)(NO)	N(CCO)(NC)(H)	C(CC[6a]N)(NHN)(O)	C(C[6a]C[6a]N[6a])(CNO)(NO)	N(CCO)(NC)(H)	115.4510	0.000	1	115.4510	0.000	1	115.3410	0.121	4	116.0704	16.818	8	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:2:1:	C-3:N-3:O-1:	N[5a]-3:C-3:N-2:	C-3:N-2:H-1:	C(CN[5a]N)(NHN)(O)	C(N[5a]C[5a]N[5a])(CNO)(NO)	N(CCO)(NC)(H)	C(CN[5a]N)(NHN)(O)	C(N[5a]C[5a]N[5a])(CNO)(NO)	N(CCO)(NC)(H)	113.8863	2.372	3	113.8863	5.624	3	113.8863	5.624	3	116.0704	16.818	8	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:3:1:	C-3:N-3:H-1:	C-3:C-3:C-2:	C-3:C-3:H-1:	C(CCC)(NCH)(H)	C(CHN)(COO)(CN)	N(CCH)(CNO)(H)	C(CCC)(NCH)(H)	C(CHN)(COO)(CN)	N(CCH)(CNO)(H)	125.3040	0.000	1	125.3040	0.000	1	125.3040	0.000	1	119.1282	12.357	58	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:3:1:	C-3:N-3:H-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCO)(NCH)(H)	C(CCO)(CHN)(OC)	N(CC[6a]O)(CCH)(H)	C(CCO)(NCH)(H)	C(CCO)(CHN)(OC)	N(CC[6a]O)(CCH)(H)	123.4560	0.000	1	123.4560	0.000	1	123.4560	0.000	1	119.1282	12.357	58	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:3:1:	C-3:N-3:O-1:	C-3:C-3:C-2:	C-3:C-3:H-1:	C(CCC)(NCH)(O)	C(CNO)(CNS)(CN)	N(CCO)(CNO)(H)	C(CCC)(NCH)(O)	C(CNO)(CNS)(CN)	N(CCO)(CNO)(H)	117.6730	0.000	1	117.6730	0.000	1	117.6730	0.000	1	119.1282	12.357	58	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:3:1:	C-3:N-3:O-1:	C[6a]-3:C-3:N-2:	C-3:N-3:H-1:	C(CC[6a]N)(NHN)(O)	C(C[6a]C[6a]2)(CNO)(NN)	N(CCO)(NHH)(H)	C(CC[6a]N)(NHN)(O)	C(C[6a]C[6a]2)(CNO)(NN)	N(CCO)(NHH)(H)	114.3860	0.000	1	114.3860	0.000	1	114.9875	0.724	2	119.1282	12.357	58	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:3:1:	C-3:N-3:O-1:	C[6a]-3:C-3:N-2:	C-3:N-3:H-1:	C(CC[6a]N)(NHN)(O)	C(C[6a]C[6a]2)(CNO)(NO)	N(CCO)(NHH)(H)	C(CC[6a]N)(NHN)(O)	C(C[6a]C[6a]2)(CNO)(NO)	N(CCO)(NHH)(H)	115.5890	0.000	1	115.5890	0.000	1	114.9875	0.724	2	119.1282	12.357	58	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:3:1:	N-3:C-3:H-1:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(H)	C(CCO)(CHN)(CN)	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CCC)(H)	C(CCO)(CHN)(CN)	N(C[6a]C[6a]2)(CCH)(H)	125.1770	0.000	1	125.1770	0.000	1	124.5722	1.184	12	119.1282	12.357	58	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:3:1:	N-3:C-3:H-1:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(H)	C(CHN)(COO)(CN)	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CCC)(H)	C(CHN)(COO)(CN)	N(C[6a]C[6a]2)(CCH)(H)	124.9919	0.251	9	124.9919	0.063	9	124.5722	1.184	12	119.1282	12.357	58	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:3:1:	N-3:C-3:H-1:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(H)	C(CHN)2(CN)	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CCC)(H)	C(CHN)2(CN)	N(C[6a]C[6a]2)(CCH)(H)	122.3815	0.982	2	122.3815	0.965	2	124.5722	1.184	12	119.1282	12.357	58	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:3:1:	N-3:C-3:H-1:	C-3:C-3:N-2:	C[6]-3:C-3:H-1:	C(NC[6]H)(CCN)(H)	C(CHN)(COO)(NC)	N(C[6]N[6]2)(CCH)(H)	C(NC[6]H)(CCN)(H)	C(CHN)(COO)(NC)	N(C[6]N[6]2)(CCH)(H)	122.9740	0.000	1	122.9740	0.000	1	122.9740	0.000	1	119.1282	12.357	58	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:3:1:	N-3:C-3:O-1:	C-3:C-3:C-2:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CCC)(O)	C(CCO)(CNO)(CN)	N(C[5a]C[5a,6a]C[5a])(CCO)(H)	C(NC[5a]H)(CCC)(O)	C(CCO)(CNO)(CN)	N(C[5a]C[5a,6a]C[5a])(CCO)(H)	116.1935	0.692	2	116.1935	0.479	2	116.1935	0.479	2	119.1282	12.357	58	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:3:1:	N-3:C-3:O-1:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(O)	C(CCH)(CNO)(CN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCC)(O)	C(CCH)(CNO)(CN)	N(C[6a]C[6a]2)(CCO)(H)	116.0980	0.000	1	116.0980	0.000	1	117.8792	2.590	29	119.1282	12.357	58	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:3:1:	N-3:C-3:O-1:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(O)	C(CCO)(CNO)(CN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCC)(O)	C(CCO)(CNO)(CN)	N(C[6a]C[6a]2)(CCO)(H)	117.6688	1.221	6	117.6688	1.491	6	117.8792	2.590	29	119.1282	12.357	58	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:3:1:	N-3:C-3:O-1:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(O)	C(CC[6a]H)(CNO)(CN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCC)(O)	C(CC[6a]H)(CNO)(CN)	N(C[6a]C[6a]2)(CCO)(H)	116.2220	0.665	2	116.2220	0.442	2	117.8792	2.590	29	119.1282	12.357	58	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:3:1:	N-3:C-3:O-1:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(O)	C(CC[6a]H)(CNO)(CN)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CCC)(O)	C(CC[6a]H)(CNO)(CN)	N(C[6a]C[6a]N[6a])(CCO)(H)	116.1160	0.000	1	116.1160	0.000	1	117.8792	2.590	29	119.1282	12.357	58	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:3:1:	N-3:C-3:O-1:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(O)	C(CHN)(CNO)(CN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCC)(O)	C(CHN)(CNO)(CN)	N(C[6a]C[6a]2)(CCO)(H)	115.3950	0.577	3	115.3950	0.333	3	117.8792	2.590	29	119.1282	12.357	58	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:3:1:	N-3:C-3:O-1:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(O)	C(CNO)(CNS)(CN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCC)(O)	C(CNO)(CNS)(CN)	N(C[6a]C[6a]2)(CCO)(H)	115.5320	0.000	1	115.5320	0.000	1	117.8792	2.590	29	119.1282	12.357	58	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:3:1:	N-3:C-3:O-1:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(O)	C(CNO)2(CN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCC)(O)	C(CNO)2(CN)	N(C[6a]C[6a]2)(CCO)(H)	119.0740	0.680	15	119.0740	0.463	15	117.8792	2.590	29	119.1282	12.357	58	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:3:1:	N-3:C-3:O-1:	C-3:C-3:N-2:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CCN)(O)	C(CNO)(COO)(NN)	N(C[5a]N[5a]S[5a])(CCO)(H)	C(NC[5a]H)(CCN)(O)	C(CNO)(COO)(NN)	N(C[5a]N[5a]S[5a])(CCO)(H)	117.4750	0.000	1	117.4750	0.000	1	117.4750	0.000	1	119.1282	12.357	58	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:3:1:	N-3:C-3:O-1:	C-3:C-3:N-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCN)(O)	C(CCO)(CNO)(NN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCN)(O)	C(CCO)(CNO)(NN)	N(C[6a]C[6a]2)(CCO)(H)	115.8880	0.481	6	115.8880	0.232	6	115.8880	0.232	6	119.1282	12.357	58	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:3:1:	N-3:C-3:O-1:	C[5]-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CC[5]C)(O)	C(C[5]N[5]2)(CNO)(CN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CC[5]C)(O)	C(C[5]N[5]2)(CNO)(CN)	N(C[6a]C[6a]2)(CCO)(H)	114.8330	0.000	1	114.8330	0.000	1	114.8330	0.000	1	119.1282	12.357	58	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:3:1:	N-3:C-3:S-1:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(S)	C(CNO)(CNS)(CN)	N(C[6a]C[6a,6a]C[6a])(CCS)(H)	C(NC[6a]H)(CCC)(S)	C(CNO)(CNS)(CN)	N(C[6a]C[6a,6a]C[6a])(CCS)(H)	116.6660	0.000	1	116.6660	0.000	1	116.6660	0.000	1	119.1282	12.357	58	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:4:3:	C-3:N-3:O-1:	C[6a]-3:C-3:N-2:	C[6a]-3:C-4:C-3:	C(CC[6a]N)(NC[6a]C)(O)	C(C[6a]C[6a]2)(CNO)(NN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(CC[6a]N)(NC[6a]C)(O)	C(C[6a]C[6a]2)(CNO)(NN)	N(C[6a]C[6a]2)(CH3)(CCO)	116.4830	0.000	1	116.4830	0.000	1	116.4830	0.000	1	122.5573	27.021	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:4:3:	N-3:C-3:H-1:	C-3:C-3:O-2:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCO)(H)	C(CCO)(CHN)(OC)	N(C[6a]C[6a]2)(CH3)(CCH)	C(NC[6a]C)(CCO)(H)	C(CCO)(CHN)(OC)	N(C[6a]C[6a]2)(CH3)(CCH)	130.8290	0.000	1	130.8290	0.000	1	130.8290	0.000	1	122.5573	27.021	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:4:3:	N-3:C-3:O-1:	C-3:C-3:C-2:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCC)(O)	C(CCO)(CNO)(CN)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCC)(O)	C(CCO)(CNO)(CN)	N(C[6a]C[6a]2)(CH3)(CCO)	124.7783	1.098	3	124.7783	1.205	3	124.7783	1.205	3	122.5573	27.021	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	3:4:3:	N-3:C-3:O-1:	C-3:C-3:N-2:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCN)(O)	C(CHN)(CNO)(NC)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCN)(O)	C(CHN)(CNO)(NC)	N(C[6a]C[6a]2)(CH3)(CCO)	118.1270	0.588	2	118.1270	0.346	2	118.1270	0.346	2	122.5573	27.021	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:3:1:	C-3:N-3:H-1:	C-3:C-3:C-2:	C-4:C-3:H-1:	C(CCC)(NCH)(H)	C(CHN)(COO)(CN)	N(CC[6a]HH)(CCH)(H)	C(CCC)(NCH)(H)	C(CHN)(COO)(CN)	N(CC[6a]HH)(CCH)(H)	126.3110	0.000	1	126.3110	0.000	1	126.3110	0.000	1	119.1693	20.774	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:3:1:	C-3:N-3:H-1:	C[6]-3:C-3:C-2:	C[6]-4:C-3:H-1:	C(CC[6]C)(NC[6]H)(H)	C(C[6]C[6]N[6])(CHN)(CN)	N(C[6]C[6,6a]C[6]H)(CCH)(H)	C(CC[6]C)(NC[6]H)(H)	C(C[6]C[6]N[6])(CHN)(CN)	N(C[6]C[6,6a]C[6]H)(CCH)(H)	128.2650	0.000	1	128.2650	0.000	1	128.2650	0.000	1	119.1693	20.774	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:3:1:	C-3:N-3:H-1:	C[6a]-3:C-3:C-2:	C-4:C-3:H-1:	C(CC[6a]C)(NCH)(H)	C(C[6a]C[6a]2)(CHN)(CN)	N(CC[6a]HH)(CCH)(H)	C(CC[6a]C)(NCH)(H)	C(C[6a]C[6a]2)(CHN)(CN)	N(CC[6a]HH)(CCH)(H)	127.1450	0.129	2	127.1450	0.017	2	127.0293	0.048	3	119.1693	20.774	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:3:1:	C-3:N-3:H-1:	C[6a]-3:C-3:C-2:	C-4:C-3:H-1:	C(CC[6a]C)(NCH)(H)	C(C[6a]C[6a]N[6a])(CHN)(CN)	N(CC[6a]HH)(CCH)(H)	C(CC[6a]C)(NCH)(H)	C(C[6a]C[6a]N[6a])(CHN)(CN)	N(CC[6a]HH)(CCH)(H)	126.7980	0.000	1	126.7980	0.000	1	127.0293	0.048	3	119.1693	20.774	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:3:1:	C-3:N-3:H-1:	C[6a]-3:C-3:C-2:	C[6]-4:C-3:H-1:	C(CC[6a]C)(NC[6]H)(H)	C(C[6a]C[6a]N[6a])(CHN)(CN)	N(C[6]C[6,6a]C[6]H)(CCH)(H)	C(CC[6a]C)(NC[6]H)(H)	C(C[6a]C[6a]N[6a])(CHN)(CN)	N(C[6]C[6,6a]C[6]H)(CCH)(H)	126.5370	0.000	1	126.5370	0.000	1	126.5370	0.000	1	119.1693	20.774	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:C-2:	C-4:C-3:H-1:	C(CCC)(NCH)(O)	C(CCH)(CNO)(CN)	N(CC[6a]HH)(CCO)(H)	C(CCC)(NCH)(O)	C(CCH)(CNO)(CN)	N(CC[6a]HH)(CCO)(H)	117.1630	0.000	1	117.1630	0.000	1	118.3248	6.479	10	119.1693	20.774	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:C-2:	C-4:C-3:H-1:	C(CCC)(NCH)(O)	C(CCH)(CNO)(CN)	N(CH3)(CCO)(H)	C(CCC)(NCH)(O)	C(CCH)(CNO)(CN)	N(CH3)(CCO)(H)	116.4070	0.000	1	116.4070	0.000	1	118.3248	6.479	10	119.1693	20.774	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:C-2:	C-4:C-3:H-1:	C(CCC)(NCH)(O)	C(CC[5a]H)(CNO)(CN)	N(CC[5a]HH)(CCO)(H)	C(CCC)(NCH)(O)	C(CC[5a]H)(CNO)(CN)	N(CC[5a]HH)(CCO)(H)	116.3065	0.152	2	116.3065	0.023	2	118.3248	6.479	10	119.1693	20.774	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:C-2:	C-4:C-3:H-1:	C(CCC)(NCH)(O)	C(CC[6a]H)(CNO)(CN)	N(CC[5a]HH)(CCO)(H)	C(CCC)(NCH)(O)	C(CC[6a]H)(CNO)(CN)	N(CC[5a]HH)(CCO)(H)	115.9640	0.000	1	115.9640	0.000	1	118.3248	6.479	10	119.1693	20.774	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:C-2:	C-4:C-3:H-1:	C(CCC)(NCH)(O)	C(CC[6a]H)(CNO)(CN)	N(CC[6a]HH)(CCO)(H)	C(CCC)(NCH)(O)	C(CC[6a]H)(CNO)(CN)	N(CC[6a]HH)(CCO)(H)	116.7660	0.000	1	116.7660	0.000	1	118.3248	6.479	10	119.1693	20.774	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:C-2:	C-4:C-3:H-1:	C(CCC)(NCH)(O)	C(CNO)2(CN)	N(CCCH)(CCO)(H)	C(CCC)(NCH)(O)	C(CNO)2(CN)	N(CCCH)(CCO)(H)	120.4680	0.000	1	120.4680	0.000	1	118.3248	6.479	10	119.1693	20.774	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:C-2:	C-4:C-3:H-1:	C(CCC)(NCH)(O)	C(CNO)2(CN)	N(CH3)(CCO)(H)	C(CCC)(NCH)(O)	C(CNO)2(CN)	N(CH3)(CCO)(H)	121.2890	1.754	3	121.2890	3.078	3	118.3248	6.479	10	119.1693	20.774	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:C-2:	S-4:C-3:H-1:	C(CCC)(NHS)(O)	C(CCH)(CNO)(CC)	N(SC[6a]OO)(CCO)(H)	C(CCC)(NHS)(O)	C(CCH)(CNO)(CC)	N(SC[6a]OO)(CCO)(H)	114.8220	0.000	1	114.8220	0.000	1	114.8220	0.000	1	119.1693	20.774	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:O-2:	C-4:C-3:H-1:	C(CCO)(NCH)(O)	C(CCO)(CNO)(OC)	N(CC[6a]HH)(CCO)(H)	C(CCO)(NCH)(O)	C(CCO)(CNO)(OC)	N(CC[6a]HH)(CCO)(H)	114.4650	0.000	1	114.4650	0.000	1	114.4650	0.000	1	119.1693	20.774	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:S-2:	C-4:C-3:H-1:	C(CCS)(NCH)(O)	C(CC[3]O)(CNO)(SC)	N(CC[6a]HH)(CCO)(H)	C(CCS)(NCH)(O)	C(CC[3]O)(CNO)(SC)	N(CC[6a]HH)(CCO)(H)	115.8330	0.000	1	115.8330	0.000	1	115.8965	0.008	2	119.1693	20.774	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:S-2:	C-4:C-3:H-1:	C(CCS)(NCH)(O)	C(CC[6a]O)(CNO)(SC)	N(CCHH)(CCO)(H)	C(CCS)(NCH)(O)	C(CC[6a]O)(CNO)(SC)	N(CCHH)(CCO)(H)	115.9600	0.000	1	115.9600	0.000	1	115.8965	0.008	2	119.1693	20.774	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:3:1:	C-3:N-3:O-1:	C-3:N-3:N-2:	C-4:C-3:H-1:	C(CNN)(NCH)(O)	C(CNO)(NCH)(NS)	N(CC3)(CCO)(H)	C(CNN)(NCH)(O)	C(CNO)(NCH)(NS)	N(CC3)(CCO)(H)	114.3630	0.553	2	114.3630	0.306	2	114.3630	0.306	2	119.1693	20.774	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:3:1:	C-3:N-3:O-1:	C[5]-3:C-3:C-2:	C-4:C-3:H-1:	C(CC[5]C)(NCH)(O)	C(C[5]N[5]S[5])(CNO)(CN)	N(CH3)(CCO)(H)	C(CC[5]C)(NCH)(O)	C(C[5]N[5]S[5])(CNO)(CN)	N(CH3)(CCO)(H)	117.6290	0.000	1	117.6290	0.000	1	117.6290	0.000	1	119.1693	20.774	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:3:1:	C-3:N-3:O-1:	C[5a]-3:C-3:N-2:	C[4]-4:C-3:H-1:	C(CC[5a]N)(NC[4]H)(O)	C(C[5a]C[5a]N[5a])(CNO)(NO)	N(C[4]C[4,6]C[4]H)(CCO)(H)	C(CC[5a]N)(NC[4]H)(O)	C(C[5a]C[5a]N[5a])(CNO)(NO)	N(C[4]C[4,6]C[4]H)(CCO)(H)	118.3700	0.000	1	118.3700	0.000	1	118.3700	0.000	1	119.1693	20.774	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:3:1:	C-3:N-3:O-1:	C[6a]-3:C-3:N-2:	C-4:C-3:H-1:	C(CC[6a]N)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(NC)	N(CC[6a]HH)(CCO)(H)	C(CC[6a]N)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(NC)	N(CC[6a]HH)(CCO)(H)	116.5400	0.000	1	116.5400	0.000	1	116.0893	0.205	3	119.1693	20.774	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:3:1:	C-3:N-3:O-1:	C[6a]-3:C-3:N-2:	C-4:C-3:H-1:	C(CC[6a]N)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(NO)	N(CC3)(CCO)(H)	C(CC[6a]N)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(NO)	N(CC3)(CCO)(H)	116.0930	0.000	1	116.0930	0.000	1	116.0893	0.205	3	119.1693	20.774	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:3:1:	C-3:N-3:O-1:	C[6a]-3:C-3:N-2:	C-4:C-3:H-1:	C(CC[6a]N)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(NO)	N(CH3)(CCO)(H)	C(CC[6a]N)(NCH)(O)	C(C[6a]C[6a]2)(CNO)(NO)	N(CH3)(CCO)(H)	115.6350	0.000	1	115.6350	0.000	1	116.0893	0.205	3	119.1693	20.774	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:3:1:	C-3:N-3:S-1:	C-3:C-3:C-2:	C-4:C-3:H-1:	C(CCC)(NCH)(S)	C(CNO)(CNS)(CN)	N(CCCH)(CCS)(H)	C(CCC)(NCH)(S)	C(CNO)(CNS)(CN)	N(CCCH)(CCS)(H)	118.0580	0.000	1	118.0580	0.000	1	118.1935	0.037	2	119.1693	20.774	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:3:1:	C-3:N-3:S-1:	C-3:C-3:C-2:	C-4:C-3:H-1:	C(CCC)(NCH)(S)	C(CNO)(CNS)(CN)	N(CH3)(CCS)(H)	C(CCC)(NCH)(S)	C(CNO)(CNS)(CN)	N(CH3)(CCS)(H)	118.3290	0.000	1	118.3290	0.000	1	118.1935	0.037	2	119.1693	20.774	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:4:3:	C-3:N-3:H-1:	C-3:C-3:C-2:	C-4:C-4:C-3:	C(CCC)(NCC)(H)	C(CC[5a]O)(CHN)(CN)	N(CH3)2(CCH)	C(CCC)(NCC)(H)	C(CC[5a]O)(CHN)(CN)	N(CH3)2(CCH)	129.9310	0.000	1	129.9310	0.000	1	130.9358	0.560	5	125.9749	36.012	26	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:4:3:	C-3:N-3:H-1:	C-3:C-3:C-2:	C-4:C-4:C-3:	C(CCC)(NCC)(H)	C(CHN)(CNO)(CN)	N(CH3)2(CCH)	C(CCC)(NCC)(H)	C(CHN)(CNO)(CN)	N(CH3)2(CCH)	131.2223	0.694	3	131.2223	0.481	3	130.9358	0.560	5	125.9749	36.012	26	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:4:3:	C-3:N-3:H-1:	C-3:C-3:C-2:	C-4:C-4:C-3:	C(CCC)(NCC)(H)	C(CHN)(COO)(CN)	N(CH3)2(CCH)	C(CCC)(NCC)(H)	C(CHN)(COO)(CN)	N(CH3)2(CCH)	131.0810	0.000	1	131.0810	0.000	1	130.9358	0.560	5	125.9749	36.012	26	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:4:3:	C-3:N-3:H-1:	C-3:C-3:N-2:	C-4:C-4:C-3:	C(CCN)(NCC)(H)	C(CHN)(CNO)(NC)	N(CH3)2(CCH)	C(CCN)(NCC)(H)	C(CHN)(CNO)(NC)	N(CH3)2(CCH)	130.4735	1.404	2	130.4735	1.970	2	130.4735	1.970	2	125.9749	36.012	26	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:4:3:	C-3:N-3:H-1:	C-3:C-3:O-2:	C-4:C-4:C-3:	C(CCO)(NCC)(H)	C(CCO)(CHN)(OC)	N(CH3)2(CCH)	C(CCO)(NCC)(H)	C(CCO)(CHN)(OC)	N(CH3)2(CCH)	130.9270	0.000	1	130.9270	0.000	1	130.9270	0.000	1	125.9749	36.012	26	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:4:3:	C-3:N-3:H-1:	C-3:N-3:C-2:	C-4:C-4:C-3:	C(CCN)(NCC)(H)	C(CHN)(NCC)(CN)	N(CCHH)2(CCH)	C(CCN)(NCC)(H)	C(CHN)(NCC)(CN)	N(CCHH)2(CCH)	130.6590	0.134	3	130.6590	0.018	3	130.6590	0.018	3	125.9749	36.012	26	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:4:3:	C-3:N-3:H-1:	C[5a]-3:C-3:C-2:	C-4:C-4:C-3:	C(CC[5a]C)(NCC)(H)	C(C[5a]N[5a]S[5a])(CHN)(CN)	N(CH3)2(CCH)	C(CC[5a]C)(NCC)(H)	C(C[5a]N[5a]S[5a])(CHN)(CN)	N(CH3)2(CCH)	131.0330	0.000	1	131.0330	0.000	1	131.0330	0.000	1	125.9749	36.012	26	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:4:3:	C-3:N-3:H-1:	C[6a]-3:C-3:O-2:	S-4:C-4:C-3:	C(CC[6a]O)(NCS)(H)	C(C[6a]C[6a]2)(CHN)(OC)	N(SC[6a]OO)(CCHH)(CCH)	C(CC[6a]O)(NCS)(H)	C(C[6a]C[6a]2)(CHN)(OC)	N(SC[6a]OO)(CCHH)(CCH)	127.1675	4.471	2	127.1675	19.990	2	126.7310	6.997	4	125.9749	36.012	26	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:4:3:	C-3:N-3:H-1:	C[6a]-3:C-3:O-2:	S-4:C-4:C-3:	C(CC[6a]O)(NCS)(H)	C(C[6a]C[6a]2)(CHN)(OC)	N(SC[6a]OO)(CHHO)(CCH)	C(CC[6a]O)(NCS)(H)	C(C[6a]C[6a]2)(CHN)(OC)	N(SC[6a]OO)(CHHO)(CCH)	126.2945	0.489	2	126.2945	0.239	2	126.7310	6.997	4	125.9749	36.012	26	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:4:3:	C-3:N-3:H-1:	N[5]-3:C-3:O-2:	C-4:S-4:C-3:	C(CN[5]O)(NCS)(H)	C(N[5]C[5]2)(CHN)(OC)	N(CCHH)(SCOO)(CCH)	C(CN[5]O)(NCS)(H)	C(N[5]C[5]2)(CHN)(OC)	N(CCHH)(SCOO)(CCH)	128.7825	4.232	2	128.7825	17.910	2	128.7825	17.910	2	125.9749	36.012	26	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:4:3:	C-3:N-3:O-1:	C-3:C-3:N-2:	C-4:C-4:C-3:	C(CCN)(NCC)(O)	C(CCO)(CNO)(NN)	N(CCHH)2(CCO)	C(CCN)(NCC)(O)	C(CCO)(CNO)(NN)	N(CCHH)2(CCO)	117.7927	0.955	4	117.7927	0.913	4	118.0100	0.662	6	125.9749	36.012	26	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:4:3:	C-3:N-3:O-1:	C-3:C-3:N-2:	C-4:C-4:C-3:	C(CCN)(NCC)(O)	C(CCO)(CNO)(NN)	N(CH3)2(CCO)	C(CCN)(NCC)(O)	C(CCO)(CNO)(NN)	N(CH3)2(CCO)	118.4445	0.064	2	118.4445	0.004	2	118.0100	0.662	6	125.9749	36.012	26	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:4:3:	C-3:N-3:O-1:	C-3:C-3:O-2:	C-4:C-4:C-3:	C(CCO)(NCC)(O)	C(CC[6a]C)(CNO)(OC)	N(CH3)2(CCO)	C(CCO)(NCC)(O)	C(CC[6a]C)(CNO)(OC)	N(CH3)2(CCO)	117.1530	0.000	1	117.1530	0.000	1	117.1530	0.000	1	125.9749	36.012	26	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:2:	4:4:3:	C-3:N-3:S-1:	C-3:N-3:S-2:	C-4:C-4:C-3:	C(CNS)(NCC)(S)	C(CNS)(NCC)(SI)	N(CCHH)(CH3)(CCS)	C(CNS)(NCC)(S)	C(CNS)(NCC)(SI)	N(CCHH)(CH3)(CCS)	116.0820	0.000	1	116.0820	0.000	1	116.0820	0.000	1	125.9749	36.012	26	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:1:1:	C-3:N-3:H-1:	C-3:C-3:C-3:	C-3:H-1:H-1:	C(CCC)(NHH)(H)	C(CCO)(CHN)(CNO)	N(CCH)(H)2	C(CCC)(NHH)(H)	C(CCO)(CHN)(CNO)	N(CCH)(H)2	127.8830	0.000	1	127.8830	0.000	1	127.8127	0.044	3	121.6862	17.687	15	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:1:1:	C-3:N-3:H-1:	C-3:C-3:C-3:	C-3:H-1:H-1:	C(CCC)(NHH)(H)	C(CCO)2(CHN)	N(CCH)(H)2	C(CCC)(NHH)(H)	C(CCO)2(CHN)	N(CCH)(H)2	127.9770	0.000	1	127.9770	0.000	1	127.8127	0.044	3	121.6862	17.687	15	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:1:1:	C-3:N-3:H-1:	C-3:C-3:C-3:	C-3:H-1:H-1:	C(CCC)(NHH)(H)	C(CHN)(COO)2	N(CCH)(H)2	C(CCC)(NHH)(H)	C(CHN)(COO)2	N(CCH)(H)2	127.5780	0.000	1	127.5780	0.000	1	127.8127	0.044	3	121.6862	17.687	15	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:1:1:	C-3:N-3:H-1:	C-3:N-3:N-3:	C-3:O-1:O-1:	C(CNN)(NOO)(H)	C(CHN)(NCC)(NCH)	N(CCH)(O)2	C(CNN)(NOO)(H)	C(CHN)(NCC)(NCH)	N(CCH)(O)2	124.5730	0.000	1	124.5730	0.000	1	124.2810	0.171	2	121.6862	17.687	15	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:1:1:	C-3:N-3:H-1:	C-3:N-3:N-3:	C-3:O-1:O-1:	C(CNN)(NOO)(H)	C(CHN)(NCH)2	N(CCH)(O)2	C(CNN)(NOO)(H)	C(CHN)(NCH)2	N(CCH)(O)2	123.9890	0.000	1	123.9890	0.000	1	124.2810	0.171	2	121.6862	17.687	15	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:1:1:	C-3:N-3:H-1:	C[6a]-3:C-3:C-3:	C-3:O-1:O-1:	C(CC[6a]C)(NOO)(H)	C(C[6a]C[6a]2)(CHN)(COO)	N(CCH)(O)2	C(CC[6a]C)(NOO)(H)	C(C[6a]C[6a]2)(CHN)(COO)	N(CCH)(O)2	122.0010	1.127	2	122.0010	1.270	2	122.0010	1.270	2	121.6862	17.687	15	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:1:1:	C-3:N-3:H-1:	C[6a]-3:N[6]-3:C-3:	C-3:O-1:O-1:	C(CC[6a]N[6])(NOO)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	N(CCH)(O)2	C(CC[6a]N[6])(NOO)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	N(CCH)(O)2	124.1110	0.000	1	124.1110	0.000	1	124.1110	0.000	1	121.6862	17.687	15	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:1:1:	C-3:N-3:O-1:	C[5]-3:C-3:C-3:	C-3:H-1:H-1:	C(CC[5]C)(NHH)(O)	C(C[5]C[5]2)(CNO)(COO)	N(CCO)(H)2	C(CC[5]C)(NHH)(O)	C(C[5]C[5]2)(CNO)(COO)	N(CCO)(H)2	116.0970	0.673	2	116.0970	0.453	2	116.0970	0.453	2	121.6862	17.687	15	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:1:1:	C-3:N-3:O-1:	C[5a]-3:C-3:C-3:	C-3:H-1:H-1:	C(CC[5a]C)(NHH)(O)	C(C[5a]C[5a]2)(CC[6a]O)(CNO)	N(CCO)(H)2	C(CC[5a]C)(NHH)(O)	C(C[5a]C[5a]2)(CC[6a]O)(CNO)	N(CCO)(H)2	119.4050	0.000	1	119.4050	0.000	1	119.4050	0.000	1	121.6862	17.687	15	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:1:1:	C-3:N-3:O-1:	C[6a]-3:C-3:C-3:	C-3:H-1:H-1:	C(CC[6a]C)(NHH)(O)	C(C[6a]C[6a]2)(CHH)(CNO)	N(CCO)(H)2	C(CC[6a]C)(NHH)(O)	C(C[6a]C[6a]2)(CHH)(CNO)	N(CCO)(H)2	117.9050	0.040	2	117.9050	0.002	2	117.9050	0.002	2	121.6862	17.687	15	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:1:1:	C-3:N-3:O-1:	N[5a]-3:C-3:C-3:	C-3:H-1:H-1:	C(CN[5a]C)(NHH)(O)	C(N[5a]C[5a,6a]2)(CC[6a]H)(CNO)	N(CCO)(H)2	C(CN[5a]C)(NHH)(O)	C(N[5a]C[5a,6a]2)(CC[6a]H)(CNO)	N(CCO)(H)2	118.0110	0.000	1	118.0110	0.000	1	118.0110	0.000	1	121.6862	17.687	15	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:1:1:	C-3:N-3:S-1:	C-3:C-3:C-3:	C-3:H-1:H-1:	C(CCC)(NHH)(S)	C(CCP)(CNS)(COO)	N(CCS)(H)2	C(CCC)(NHH)(S)	C(CCP)(CNS)(COO)	N(CCS)(H)2	119.7600	0.000	1	119.7600	0.000	1	119.7600	0.000	1	121.6862	17.687	15	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:2:1:	C-3:N-3:O-1:	C-3:C-3:N-3:	C-3:N-2:H-1:	C(CCN)(NHN)(O)	C(CC[5a]H)(CNO)(NCH)	N(CCO)(NC)(H)	C(CCN)(NHN)(O)	C(CC[5a]H)(CNO)(NCH)	N(CCO)(NC)(H)	116.0970	0.000	1	116.0970	0.000	1	116.0970	0.000	1	116.0970	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	C-3:N-3:H-1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(NCH)(H)	C(CCO)2(CHN)	N(CCH)(CNS)(H)	C(CCC)(NCH)(H)	C(CCO)2(CHN)	N(CCH)(CNS)(H)	124.6790	0.000	1	124.6790	0.000	1	124.6790	0.000	1	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	C-3:N-3:H-1:	C[5a]-3:C-3:C-3:	C-3:C-3:H-1:	C(CC[5a]C)(NCH)(H)	C(C[5a]N[5a]2)(CHN)(COO)	N(CC[6a]O)(CCH)(H)	C(CC[5a]C)(NCH)(H)	C(C[5a]N[5a]2)(CHN)(COO)	N(CC[6a]O)(CCH)(H)	124.5260	0.000	1	124.5260	0.000	1	124.5260	0.000	1	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]C)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CCO)(CHN)	N(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]C)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CCO)(CHN)	N(C[6a]C[6a]2)(CCH)(H)	125.0390	0.000	1	125.0390	0.000	1	126.2520	2.147	10	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]C)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CHN)(CHO)	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(CC[6a]C)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CHN)(CHO)	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	126.7165	1.201	2	126.7165	1.443	2	126.2520	2.147	10	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]C)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CHN)(COO)	N(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]C)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CHN)(COO)	N(C[6a]C[6a]2)(CCH)(H)	126.3457	1.572	4	126.3457	2.470	4	126.2520	2.147	10	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]C)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CHN)2	N(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]C)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CHN)2	N(C[6a]C[6a]2)(CCH)(H)	126.2217	2.065	3	126.2217	4.265	3	126.2520	2.147	10	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	C-3:N-3:O-1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(NCH)(O)	C(CCO)(CNO)(COO)	N(CCH)(CCO)(H)	C(CCC)(NCH)(O)	C(CCO)(CNO)(COO)	N(CCH)(CCO)(H)	120.5720	0.000	1	120.5720	0.000	1	120.5720	0.000	1	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	C-3:N-3:O-1:	C-3:N-3:N-3:	C-3:C-3:H-1:	C(CNN)(NCH)(O)	C(CNO)(NOO)2	N(CCN)(CCO)(H)	C(CNN)(NCH)(O)	C(CNO)(NOO)2	N(CCN)(CCO)(H)	116.4420	0.023	2	116.4420	0.001	2	116.4420	0.001	2	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	C-3:N-3:O-1:	C[5a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[5a]C)(NC[6a]H)(O)	C(C[5a]C[5a,6a]C[5a])(CCH)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5a]C)(NC[6a]H)(O)	C(C[5a]C[5a,6a]C[5a])(CCH)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	117.6500	0.000	1	117.6500	0.000	1	117.8433	0.438	3	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	C-3:N-3:O-1:	C[5a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[5a]C)(NC[6a]H)(O)	C(C[5a]C[5a,6a]C[5a])(CHH)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5a]C)(NC[6a]H)(O)	C(C[5a]C[5a,6a]C[5a])(CHH)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	118.5800	0.000	1	118.5800	0.000	1	117.8433	0.438	3	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	C-3:N-3:O-1:	C[5a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[5a]C)(NC[6a]H)(O)	C(C[5a]C[5a]O[5a])(CCO)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[5a]C)(NC[6a]H)(O)	C(C[5a]C[5a]O[5a])(CCO)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	117.3000	0.000	1	117.3000	0.000	1	117.8433	0.438	3	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	C-3:N-3:O-1:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(NCH)(O)	C(C[6a]C[6a]2)(CC[6a]2)(CNO)	N(CCO)2(H)	C(CC[6a]C)(NCH)(O)	C(C[6a]C[6a]2)(CC[6a]2)(CNO)	N(CCO)2(H)	121.3570	1.892	2	121.3570	3.580	2	121.3570	3.580	2	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	C-3:N-3:O-1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]C)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CC[6a]2)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]C)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CC[6a]2)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	115.5290	0.000	1	115.5290	0.000	1	115.2977	5.776	3	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	C-3:N-3:O-1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]C)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CHH)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]C)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CHH)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	117.5770	0.000	1	117.5770	0.000	1	115.2977	5.776	3	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	C-3:N-3:O-1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]C)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CSiH)(CNO)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CC[6a]C)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CSiH)(CNO)	N(C[6a]C[6a,6a]C[6a])(CCO)(H)	112.7870	0.000	1	112.7870	0.000	1	115.2977	5.776	3	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	C-3:N-3:S-1:	C-3:C-3:N-3:	C-3:C-3:H-1:	C(CCN)(NCH)(S)	C(CNN)(CNS)(NOO)	N(CCO)(CCS)(H)	C(CCN)(NCH)(S)	C(CNN)(CNS)(NOO)	N(CCO)(CCS)(H)	115.9460	0.000	1	115.9460	0.000	1	115.9540	0.000	2	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	C-3:N-3:S-1:	C-3:C-3:N-3:	C-3:C-3:H-1:	C(CCN)(NCH)(S)	C(CNN)(CNS)(NOO)	N(CC[6a]O)(CCS)(H)	C(CCN)(NCH)(S)	C(CNN)(CNS)(NOO)	N(CC[6a]O)(CCS)(H)	115.9620	0.000	1	115.9620	0.000	1	115.9540	0.000	2	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	C-3:N-3:S-1:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]C[5])(NC[6a]H)(S)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CNS)	N(C[6a]C[6a]N[6a])(CCS)(H)	C(CC[6a]C[5])(NC[6a]H)(S)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CNS)	N(C[6a]C[6a]N[6a])(CCS)(H)	117.7110	0.052	2	117.7110	0.003	2	117.7110	0.003	2	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	C-3:N-3:S-1:	N[5a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(CN[5a]C)(NC[6a]H)(S)	C(N[5a]C[5a,6a]N[5a])(CC[6a]O)(CNS)	N(C[6a]C[6a]2)(CCS)(H)	C(CN[5a]C)(NC[6a]H)(S)	C(N[5a]C[5a,6a]N[5a])(CC[6a]O)(CNS)	N(C[6a]C[6a]2)(CCS)(H)	116.7040	0.069	2	116.7040	0.005	2	116.7040	0.005	2	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	N-3:C-3:H-1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(H)	C(CCC)(CHN)(COO)	N(C[6a]C[6a]N[6a])(CCH)(H)	C(NC[6a]H)(CCC)(H)	C(CCC)(CHN)(COO)	N(C[6a]C[6a]N[6a])(CCH)(H)	125.1150	0.000	1	125.1150	0.000	1	125.9887	1.124	25	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	N-3:C-3:H-1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(H)	C(CCN)(CHN)(COO)	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(NC[6a]H)(CCC)(H)	C(CCN)(CHN)(COO)	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	125.9290	0.000	1	125.9290	0.000	1	125.9887	1.124	25	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	N-3:C-3:H-1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(H)	C(CCO)(CHN)(COO)	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CCC)(H)	C(CCO)(CHN)(COO)	N(C[6a]C[6a]2)(CCH)(H)	125.6192	0.740	4	125.6192	0.548	4	125.9887	1.124	25	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	N-3:C-3:H-1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(H)	C(CCO)2(CHN)	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(NC[6a]H)(CCC)(H)	C(CCO)2(CHN)	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	126.5450	0.000	1	126.5450	0.000	1	125.9887	1.124	25	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	N-3:C-3:H-1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(H)	C(CC[6a]O)(CCO)(CHN)	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CCC)(H)	C(CC[6a]O)(CCO)(CHN)	N(C[6a]C[6a]2)(CCH)(H)	124.7580	2.495	2	124.7580	6.223	2	125.9887	1.124	25	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	N-3:C-3:H-1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(H)	C(CC[6a]O)(CHN)(COO)	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CCC)(H)	C(CC[6a]O)(CHN)(COO)	N(C[6a]C[6a]2)(CCH)(H)	123.6780	0.000	1	123.6780	0.000	1	125.9887	1.124	25	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	N-3:C-3:H-1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(H)	C(CC[6a]O)(CHN)2	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CCC)(H)	C(CC[6a]O)(CHN)2	N(C[6a]C[6a]2)(CCH)(H)	125.4145	0.169	2	125.4145	0.029	2	125.9887	1.124	25	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	N-3:C-3:H-1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(H)	C(CHN)(CNO)(COO)	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CCC)(H)	C(CHN)(CNO)(COO)	N(C[6a]C[6a]2)(CCH)(H)	125.7220	0.000	1	125.7220	0.000	1	125.9887	1.124	25	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	N-3:C-3:H-1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(H)	C(CHN)(COO)2	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CCC)(H)	C(CHN)(COO)2	N(C[6a]C[6a]2)(CCH)(H)	126.6588	0.520	12	126.6588	0.270	12	125.9887	1.124	25	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	N-3:C-3:H-1:	C-3:C-3:N-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCN)(H)	C(CHN)2(NOO)	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CCN)(H)	C(CHN)2(NOO)	N(C[6a]C[6a]2)(CCH)(H)	121.6933	0.222	3	121.6933	0.049	3	122.0678	0.562	5	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	N-3:C-3:H-1:	C-3:C-3:N-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCN)(H)	C(CN[5]O)(CHN)(NCH)	N(C[6a]N[6a]2)(CCH)(H)	C(NC[6a]H)(CCN)(H)	C(CN[5]O)(CHN)(NCH)	N(C[6a]N[6a]2)(CCH)(H)	122.6295	1.047	2	122.6295	1.097	2	122.0678	0.562	5	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	N-3:C-3:H-1:	C[5]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CC[5]C)(H)	C(C[5]C[5]N[5])(CHN)2	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CC[5]C)(H)	C(C[5]C[5]N[5])(CHN)2	N(C[6a]C[6a]2)(CCH)(H)	123.9303	0.778	4	123.9303	0.606	4	123.9303	0.606	4	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	N-3:C-3:O-1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(O)	C(CCO)(CHN)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCC)(O)	C(CCO)(CHN)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	116.5150	0.000	1	116.5150	0.000	1	117.2663	1.230	11	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	N-3:C-3:O-1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(O)	C(CCO)(CNO)(COO)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCC)(O)	C(CCO)(CNO)(COO)	N(C[6a]C[6a]2)(CCO)(H)	118.4200	0.000	1	118.4200	0.000	1	117.2663	1.230	11	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	N-3:C-3:O-1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(O)	C(CC[6a]H)(CCO)(CNO)	N(C[6a]C[6a]N[6a])(CCO)(H)	C(NC[6a]H)(CCC)(O)	C(CC[6a]H)(CCO)(CNO)	N(C[6a]C[6a]N[6a])(CCO)(H)	114.7200	0.000	1	114.7200	0.000	1	117.2663	1.230	11	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	N-3:C-3:O-1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(O)	C(CC[6a]N)(CHN)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCC)(O)	C(CC[6a]N)(CHN)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	117.1055	0.347	2	117.1055	0.121	2	117.2663	1.230	11	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	N-3:C-3:O-1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(O)	C(CC[6a]N)(CNN)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCC)(O)	C(CC[6a]N)(CNN)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	117.8096	0.743	5	117.8096	0.552	5	117.2663	1.230	11	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	N-3:C-3:O-1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(O)	C(CHN)(CNO)(COO)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCC)(O)	C(CHN)(CNO)(COO)	N(C[6a]C[6a]2)(CCO)(H)	117.0150	0.000	1	117.0150	0.000	1	117.2663	1.230	11	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:1:	N-3:C-3:S-1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(S)	C(CCO)2(CNS)	N(C[6a]C[6a]2)(CCS)(H)	C(NC[6a]H)(CCC)(S)	C(CCO)2(CNS)	N(C[6a]C[6a]2)(CCS)(H)	112.9220	0.000	1	112.9220	0.000	1	112.9220	0.000	1	122.2225	19.299	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:3:	C-3:N-3:H-1:	C[6a]-3:N-3:C-3:	C[6a]-3:B-3:C-3:	C(CC[6a]N)(NC[6a]B)(H)	C(C[6a]C[6a]N[6a])(NC[6a]B[5])(CHN)	N(C[6a]C[6a]2)(BC[6a]2)(CCH)	C(CC[6a]N)(NC[6a]B)(H)	C(C[6a]C[6a]N[6a])(NC[6a]B[5])(CHN)	N(C[6a]C[6a]2)(BC[6a]2)(CCH)	129.1250	0.000	1	129.1250	0.000	1	129.1250	0.000	1	123.0485	67.374	6	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:3:	C-3:N-3:O-1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(NC[6a]C)(O)	C(C[6a]C[6a]2)(CHH)(CNO)	N(C[6a]C[6a]2)(CCO)2	C(CC[6a]C)(NC[6a]C)(O)	C(C[6a]C[6a]2)(CHH)(CNO)	N(C[6a]C[6a]2)(CCO)2	117.3200	0.011	2	117.3200	0.000	2	117.3200	0.000	2	123.0485	67.374	6	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:3:	C-3:N-3:S-1:	C[6a]-3:C-3:C-3:	C[6a]-3:B-3:C-3:	C(CC[6a]C)(NC[6a]B)(S)	C(C[6a]C[6a]2)(CC[6a]C)(CNS)	N(C[6a]C[6a]2)(BC[6a]C)(CCS)	C(CC[6a]C)(NC[6a]B)(S)	C(C[6a]C[6a]2)(CC[6a]C)(CNS)	N(C[6a]C[6a]2)(BC[6a]C)(CCS)	112.6080	0.000	1	112.6080	0.000	1	112.6080	0.000	1	123.0485	67.374	6	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:3:3:	N-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C[6a]-3:As-3:C-3:	C(NC[6a]As)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CHN)2	N(C[6a]C[6a]2)(AsAsN)(CCH)	C(NC[6a]As)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CHN)2	N(C[6a]C[6a]2)(AsAsN)(CCH)	130.9590	0.400	2	130.9590	0.160	2	130.9590	0.160	2	123.0485	67.374	6	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:4:3:	C-3:N-3:H-1:	B[5a]-3:C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C(CB[5a]C[6a])(NC[6a]C)(H)	C(B[5a]O[5a]2)(C[6a]C[6a]2)(CHN)	N(C[6a]C[6a]2)(CCCH)(CCH)	C(CB[5a]C[6a])(NC[6a]C)(H)	C(B[5a]O[5a]2)(C[6a]C[6a]2)(CHN)	N(C[6a]C[6a]2)(CCCH)(CCH)	131.5320	0.533	2	131.5320	0.284	2	131.5320	0.284	2	122.4653	47.865	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:4:3:	C-3:N-3:H-1:	C-3:C-3:C-3:	C-3:C-4:C-3:	C(CCC)(NCC)(H)	C(CHN)(CNO)(COO)	N(CC[6a]C)(CCHH)(CCH)	C(CCC)(NCC)(H)	C(CHN)(CNO)(COO)	N(CC[6a]C)(CCHH)(CCH)	127.4930	0.000	1	127.4930	0.000	1	127.4930	0.000	1	122.4653	47.865	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:4:3:	C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:C-3:	C(CC[6a]2)(NCC)(H)	C(C[6a]C[6a]2)2(CHN)	N(CC[6a]O)(CCCH)(CCH)	C(CC[6a]2)(NCC)(H)	C(C[6a]C[6a]2)2(CHN)	N(CC[6a]O)(CCCH)(CCH)	127.8210	0.000	1	127.8210	0.000	1	127.8210	0.000	1	122.4653	47.865	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:4:3:	C-3:N-3:O-1:	C[5a]-3:C-3:C-3:	C-3:C-4:C-3:	C(CC[5a]C)(NCC)(O)	C(C[5a]C[5a,6a]C[5a])(CHH)(CNO)	N(CC[6a]O)(CC3)(CCO)	C(CC[5a]C)(NCC)(O)	C(C[5a]C[5a,6a]C[5a])(CHH)(CNO)	N(CC[6a]O)(CC3)(CCO)	119.0110	0.000	1	119.0110	0.000	1	119.0110	0.000	1	122.4653	47.865	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:4:3:	C-3:N-3:O-1:	C[6a]-3:C-3:C-3:	C-3:C-4:C-3:	C(CC[6a]C)(NCC)(O)	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	N(CC[6a]O)(CH3)(CCO)	C(CC[6a]C)(NCC)(O)	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	N(CC[6a]O)(CH3)(CCO)	118.8470	0.000	1	118.8470	0.000	1	118.8470	0.000	1	122.4653	47.865	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:4:3:	N-3:C-3:H-1:	C-3:C-3:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCC)(H)	C(CCC)(CHN)(COO)	N(C[6a]C[6a]2)(CC[6]CH)(CCH)	C(NC[6a]C)(CCC)(H)	C(CCC)(CHN)(COO)	N(C[6a]C[6a]2)(CC[6]CH)(CCH)	131.7350	0.000	1	131.7350	0.000	1	131.7350	0.000	1	122.4653	47.865	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:4:3:	N-3:C-3:O-1:	C-3:C-3:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCC)(O)	C(CC[6a]N)(CHN)(CNO)	N(C[6a]C[6a]2)(CCHH)(CCO)	C(NC[6a]C)(CCC)(O)	C(CC[6a]N)(CHN)(CNO)	N(C[6a]C[6a]2)(CCHH)(CCO)	116.6070	0.000	1	116.6070	0.000	1	117.0627	1.413	3	122.4653	47.865	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:4:3:	N-3:C-3:O-1:	C-3:C-3:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCC)(O)	C(CC[6a]N)(CHN)(CNO)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CCC)(O)	C(CC[6a]N)(CHN)(CNO)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	116.1690	0.000	1	116.1690	0.000	1	117.0627	1.413	3	122.4653	47.865	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:4:3:	N-3:C-3:O-1:	C-3:C-3:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCC)(O)	C(CHN)(CNO)(COO)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CCC)(O)	C(CHN)(CNO)(COO)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	118.4120	0.000	1	118.4120	0.000	1	117.0627	1.413	3	122.4653	47.865	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	3:4:3:	N-3:C-3:S-1:	C-3:C-3:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCC)(S)	C(CC[6a]N)(CHN)(CNS)	N(C[6a]C[6a]2)(CC[6a]HH)(CCS)	C(NC[6a]C)(CCC)(S)	C(CC[6a]N)(CHN)(CNS)	N(C[6a]C[6a]2)(CC[6a]HH)(CCS)	115.2120	1.137	2	115.2120	1.293	2	115.2120	1.293	2	122.4653	47.865	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:H-1:	C-3:C-3:C-3:	C-4:C-3:H-1:	C(CCC)(NCH)(H)	C(CCO)(CHN)(COO)	N(CCHH)(CCH)(H)	C(CCC)(NCH)(H)	C(CCO)(CHN)(COO)	N(CCHH)(CCH)(H)	127.7380	0.000	1	127.7380	0.000	1	127.0907	0.661	16	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:H-1:	C-3:C-3:C-3:	C-4:C-3:H-1:	C(CCC)(NCH)(H)	C(CCO)(CHN)(COO)	N(CC[6a]HH)(CCH)(H)	C(CCC)(NCH)(H)	C(CCO)(CHN)(COO)	N(CC[6a]HH)(CCH)(H)	127.2940	0.269	2	127.2940	0.072	2	127.0907	0.661	16	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:H-1:	C-3:C-3:C-3:	C-4:C-3:H-1:	C(CCC)(NCH)(H)	C(CCO)2(CHN)	N(CCHH)(CCH)(H)	C(CCC)(NCH)(H)	C(CCO)2(CHN)	N(CCHH)(CCH)(H)	127.9475	0.252	2	127.9475	0.064	2	127.0907	0.661	16	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:H-1:	C-3:C-3:C-3:	C-4:C-3:H-1:	C(CCC)(NCH)(H)	C(CCO)2(CHN)	N(CH3)(CCH)(H)	C(CCC)(NCH)(H)	C(CCO)2(CHN)	N(CH3)(CCH)(H)	126.7330	0.000	1	126.7330	0.000	1	127.0907	0.661	16	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:H-1:	C-3:C-3:C-3:	C-4:C-3:H-1:	C(CCC)(NCH)(H)	C(CC[6a]O)(CCO)(CHN)	N(CC3)(CCH)(H)	C(CCC)(NCH)(H)	C(CC[6a]O)(CCO)(CHN)	N(CC3)(CCH)(H)	126.6865	0.197	2	126.6865	0.039	2	127.0907	0.661	16	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:H-1:	C-3:C-3:C-3:	C-4:C-3:H-1:	C(CCC)(NCH)(H)	C(CC[6a]O)(CCO)(CHN)	N(CCCH)(CCH)(H)	C(CCC)(NCH)(H)	C(CC[6a]O)(CCO)(CHN)	N(CCCH)(CCH)(H)	126.6700	0.000	1	126.6700	0.000	1	127.0907	0.661	16	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:H-1:	C-3:C-3:C-3:	C-4:C-3:H-1:	C(CCC)(NCH)(H)	C(CC[6a]O)(CCO)(CHN)	N(CCHH)(CCH)(H)	C(CCC)(NCH)(H)	C(CC[6a]O)(CCO)(CHN)	N(CCHH)(CCH)(H)	125.7050	0.000	1	125.7050	0.000	1	127.0907	0.661	16	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:H-1:	C-3:C-3:C-3:	C-4:C-3:H-1:	C(CCC)(NCH)(H)	C(CC[6a]O)(CCO)(CHN)	N(CC[6a]HH)(CCH)(H)	C(CCC)(NCH)(H)	C(CC[6a]O)(CCO)(CHN)	N(CC[6a]HH)(CCH)(H)	125.4430	0.000	1	125.4430	0.000	1	127.0907	0.661	16	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:H-1:	C-3:C-3:C-3:	C-4:C-3:H-1:	C(CCC)(NCH)(H)	C(CC[6a]O)(CCO)(CHN)	N(CH3)(CCH)(H)	C(CCC)(NCH)(H)	C(CC[6a]O)(CCO)(CHN)	N(CH3)(CCH)(H)	126.6870	0.000	1	126.6870	0.000	1	127.0907	0.661	16	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:H-1:	C-3:C-3:C-3:	C-4:C-3:H-1:	C(CCC)(NCH)(H)	C(CC[6a]O)(CHN)(COO)	N(CC[6a]HH)(CCH)(H)	C(CCC)(NCH)(H)	C(CC[6a]O)(CHN)(COO)	N(CC[6a]HH)(CCH)(H)	127.4510	0.000	1	127.4510	0.000	1	127.0907	0.661	16	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:H-1:	C-3:C-3:C-3:	C-4:C-3:H-1:	C(CCC)(NCH)(H)	C(CHN)3	N(CCHH)(CCH)(H)	C(CCC)(NCH)(H)	C(CHN)3	N(CCHH)(CCH)(H)	127.7227	0.714	3	127.7227	0.510	3	127.0907	0.661	16	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:H-1:	C[5a]-3:C-3:C-3:	C-4:C-3:H-1:	C(CC[5a]C)(NCH)(H)	C(C[5a]C[5a]N[5a])(CHN)(COO)	N(CCCH)(CCH)(H)	C(CC[5a]C)(NCH)(H)	C(C[5a]C[5a]N[5a])(CHN)(COO)	N(CCCH)(CCH)(H)	130.3945	0.542	2	130.3945	0.294	2	130.3945	0.294	2	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:H-1:	C[6a]-3:C-3:C-3:	C-4:C-3:H-1:	C(CC[6a]C)(NCH)(H)	C(C[6a]C[6a]2)(CCO)(CHN)	N(CCHH)(CCH)(H)	C(CC[6a]C)(NCH)(H)	C(C[6a]C[6a]2)(CCO)(CHN)	N(CCHH)(CCH)(H)	127.2700	0.098	2	127.2700	0.010	2	127.2010	0.019	3	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:H-1:	C[6a]-3:C-3:C-3:	C-4:C-3:H-1:	C(CC[6a]C)(NCH)(H)	C(C[6a]C[6a]2)(CHN)(CHO)	N(CC[6a]HH)(CCH)(H)	C(CC[6a]C)(NCH)(H)	C(C[6a]C[6a]2)(CHN)(CHO)	N(CC[6a]HH)(CCH)(H)	127.0630	0.000	1	127.0630	0.000	1	127.2010	0.019	3	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:H-1:	C[6a]-3:C-3:C-3:	S-4:C-3:H-1:	C(CC[6a]C)(NHS)(H)	C(C[6a]C[6a]2)(CHN)2	N(SC[6a]OO)(CCH)(H)	C(CC[6a]C)(NHS)(H)	C(C[6a]C[6a]2)(CHN)2	N(SC[6a]OO)(CCH)(H)	124.2880	0.000	1	124.2880	0.000	1	124.2880	0.000	1	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:H-1:	C[6a]-3:C-3:N-3:	C-4:C-3:H-1:	C(CC[6a]N)(NCH)(H)	C(C[6a]C[6a]2)(CHN)(NOO)	N(CCHH)(CCH)(H)	C(CC[6a]N)(NCH)(H)	C(C[6a]C[6a]2)(CHN)(NOO)	N(CCHH)(CCH)(H)	128.5310	0.000	1	128.5310	0.000	1	128.5310	0.000	1	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:H-1:	C[6a]-3:C-3:N-3:	S-4:C-3:H-1:	C(CC[6a]N)(NHS)(H)	C(C[6a]C[6a]2)(CHN)(NCC)	N(SCOO)(CCH)(H)	C(CC[6a]N)(NHS)(H)	C(C[6a]C[6a]2)(CHN)(NCC)	N(SCOO)(CCH)(H)	122.6120	0.000	1	122.6120	0.000	1	122.6120	0.000	1	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(CC[6a]2)(NHS)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CHN)	N(SCOO)(CCH)(H)	C(CC[6a]2)(NHS)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CHN)	N(SCOO)(CCH)(H)	124.0110	0.000	1	124.0110	0.000	1	125.5910	1.978	3	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(CC[6a]2)(NHS)(H)	C(C[6a]C[6a]2)2(CHN)	N(SC[6a]OO)(CCH)(H)	C(CC[6a]2)(NHS)(H)	C(C[6a]C[6a]2)2(CHN)	N(SC[6a]OO)(CCH)(H)	126.3810	0.460	2	126.3810	0.211	2	125.5910	1.978	3	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:H-1:	N[5a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(CC[6a]N[5a])(NHS)(H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHN)	N(SC[6a]OO)(CCH)(H)	C(CC[6a]N[5a])(NHS)(H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHN)	N(SC[6a]OO)(CCH)(H)	122.5020	0.000	1	122.5020	0.000	1	122.5020	0.000	1	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:N-3:	C-4:C-3:H-1:	C(CCN)(NCH)(O)	C(CCC)(CNO)(NCH)	N(CCCH)(CCO)(H)	C(CCN)(NCH)(O)	C(CCC)(CNO)(NCH)	N(CCCH)(CCO)(H)	116.3650	0.000	1	116.3650	0.000	1	116.7706	2.826	21	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:N-3:	C-4:C-3:H-1:	C(CCN)(NCH)(O)	C(CCH)(CNO)(NCH)	N(CCCH)(CCO)(H)	C(CCN)(NCH)(O)	C(CCH)(CNO)(NCH)	N(CCCH)(CCO)(H)	115.5945	0.247	2	115.5945	0.061	2	116.7706	2.826	21	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:N-3:	C-4:C-3:H-1:	C(CCN)(NCH)(O)	C(CC[6a]H)(CNO)(NCH)	N(CCCH)(CCO)(H)	C(CCN)(NCH)(O)	C(CC[6a]H)(CNO)(NCH)	N(CCCH)(CCO)(H)	116.5823	0.580	3	116.5823	0.337	3	116.7706	2.826	21	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:N-3:	C-4:C-3:H-1:	C(CCN)(NCH)(O)	C(CC[6a]H)(CNO)(NCH)	N(CCHH)(CCO)(H)	C(CCN)(NCH)(O)	C(CC[6a]H)(CNO)(NCH)	N(CCHH)(CCO)(H)	117.0120	1.977	13	117.0120	3.910	13	116.7706	2.826	21	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:N-3:	C-4:C-3:H-1:	C(CCN)(NCH)(O)	C(CC[6a]H)(CNO)(NCH)	N(CC[6a]HH)(CCO)(H)	C(CCN)(NCH)(O)	C(CC[6a]H)(CNO)(NCH)	N(CC[6a]HH)(CCO)(H)	115.2750	0.000	1	115.2750	0.000	1	116.7706	2.826	21	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:O-1:	C-3:C-3:N-3:	C-4:C-3:H-1:	C(CCN)(NCH)(O)	C(CHH)(CNO)(NCH)	N(CCHH)(CCO)(H)	C(CCN)(NCH)(O)	C(CHH)(CNO)(NCH)	N(CCHH)(CCO)(H)	118.4510	0.000	1	118.4510	0.000	1	116.7706	2.826	21	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:O-1:	C[5]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(CC[6a]C[5])(NHS)(O)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CNO)	N(SC[6a]OO)(CCO)(H)	C(CC[6a]C[5])(NHS)(O)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CNO)	N(SC[6a]OO)(CCO)(H)	114.3890	0.000	1	114.3890	0.000	1	114.3890	0.000	1	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:O-1:	C[6a]-3:C-3:C-3:	C-4:C-3:H-1:	C(CC[6a]C)(NCH)(O)	C(C[6a]C[6a]2)(CC[6a]2)(CNO)	N(CC3)(CCO)(H)	C(CC[6a]C)(NCH)(O)	C(C[6a]C[6a]2)(CC[6a]2)(CNO)	N(CC3)(CCO)(H)	122.3800	0.000	1	122.3800	0.000	1	118.5003	8.465	6	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:O-1:	C[6a]-3:C-3:C-3:	C-4:C-3:H-1:	C(CC[6a]C)(NCH)(O)	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	N(CC3)(CCO)(H)	C(CC[6a]C)(NCH)(O)	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	N(CC3)(CCO)(H)	121.8600	0.000	1	121.8600	0.000	1	118.5003	8.465	6	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:O-1:	C[6a]-3:C-3:C-3:	C-4:C-3:H-1:	C(CC[6a]C)(NCH)(O)	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	N(CC3)(CCO)(H)	C(CC[6a]C)(NCH)(O)	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	N(CC3)(CCO)(H)	115.8570	0.000	2	115.8570	0.000	2	118.5003	8.465	6	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:O-1:	C[6a]-3:C-3:C-3:	C-4:C-3:H-1:	C(CC[6a]C)(NCH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CNO)	N(CCHH)(CCO)(H)	C(CC[6a]C)(NCH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CNO)	N(CCHH)(CCO)(H)	117.2970	0.000	1	117.2970	0.000	1	118.5003	8.465	6	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:O-1:	C[6a]-3:C-3:C-3:	C-4:C-3:H-1:	C(CC[6a]C)(NCH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CNO)	N(CC[6a]CH)(CCO)(H)	C(CC[6a]C)(NCH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CNO)	N(CC[6a]CH)(CCO)(H)	117.7510	0.000	1	117.7510	0.000	1	118.5003	8.465	6	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:O-1:	C[6a]-3:C-3:C-3:	C[6]-4:C-3:H-1:	C(CC[6a]C)(NC[6]H)(O)	C(C[6a]C[6a]2)(CCH)(CNO)	N(C[6]C[6]2H)(CCO)(H)	C(CC[6a]C)(NC[6]H)(O)	C(C[6a]C[6a]2)(CCH)(CNO)	N(C[6]C[6]2H)(CCO)(H)	116.0730	0.000	1	116.0730	0.000	1	116.0730	0.000	1	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:O-1:	C[6a]-3:C-3:C-3:	S-4:C-3:H-1:	C(CC[6a]C)(NHS)(O)	C(C[6a]C[6a]2)(CCH)(CNO)	N(SC[6a]OO)(CCO)(H)	C(CC[6a]C)(NHS)(O)	C(C[6a]C[6a]2)(CCH)(CNO)	N(SC[6a]OO)(CCO)(H)	116.2525	0.182	2	116.2525	0.033	2	115.3081	0.527	7	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:O-1:	C[6a]-3:C-3:C-3:	S-4:C-3:H-1:	C(CC[6a]C)(NHS)(O)	C(C[6a]C[6a]2)(CC[5a]H)(CNO)	N(SC[6a]OO)(CCO)(H)	C(CC[6a]C)(NHS)(O)	C(C[6a]C[6a]2)(CC[5a]H)(CNO)	N(SC[6a]OO)(CCO)(H)	115.0070	0.095	2	115.0070	0.009	2	115.3081	0.527	7	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:O-1:	C[6a]-3:C-3:C-3:	S-4:C-3:H-1:	C(CC[6a]C)(NHS)(O)	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	N(SC[6a]OO)(CCO)(H)	C(CC[6a]C)(NHS)(O)	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	N(SC[6a]OO)(CCO)(H)	114.6550	0.550	2	114.6550	0.303	2	115.3081	0.527	7	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:O-1:	C[6a]-3:C-3:C-3:	S-4:C-3:H-1:	C(CC[6a]C)(NHS)(O)	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	N(SC[6a]OO)(CCO)(H)	C(CC[6a]C)(NHS)(O)	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	N(SC[6a]OO)(CCO)(H)	115.3280	0.000	1	115.3280	0.000	1	115.3081	0.527	7	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:1:	N-3:C-3:O-1:	C-3:C-3:N-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCN)(O)	C(CC[6a]O)(CNO)(NCC)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCN)(O)	C(CC[6a]O)(CNO)(NCC)	N(C[6]C[6]2H)(CCO)(H)	119.3230	0.000	1	119.3230	0.000	1	119.3230	0.000	1	121.0873	28.866	65	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:3:	C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(CC[6a]2)(NCC)(H)	C(C[6a]C[6a]2)2(CHN)	N(CCCH)(CCH)(CNO)	C(CC[6a]2)(NCC)(H)	C(C[6a]C[6a]2)2(CHN)	N(CCCH)(CCH)(CNO)	127.2487	0.637	6	127.2487	0.405	6	127.2487	0.405	6	123.0150	45.412	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:3:	C-3:N-3:S-1:	C[6a]-3:C-3:C-3:	B-4:C[6a]-3:C-3:	C(CC[6a]C)(NC[6a]B)(S)	C(C[6a]C[6a]2)(CC[6a]C)(CNS)	N(BC[6a]N[6]C)(C[6a]C[6a]2)(CCS)	C(CC[6a]C)(NC[6a]B)(S)	C(C[6a]C[6a]2)(CC[6a]C)(CNS)	N(BC[6a]N[6]C)(C[6a]C[6a]2)(CCS)	119.6230	0.000	1	119.6230	0.000	1	119.6230	0.000	1	123.0150	45.412	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:3:	N-3:C-3:O-1:	C[6a]-3:C-3:C-3:	C[3x6]-4:B-3:C-3:	C(NC[3x6]B)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	N(C[3x6]C[6,6]3)(BC[6a]C)(CCO)	C(NC[3x6]B)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	N(C[3x6]C[6,6]3)(BC[6a]C)(CCO)	112.0260	0.000	1	112.0260	0.000	1	112.0260	0.000	1	123.0150	45.412	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:3:3:	N-3:C-3:S-1:	C[6a]-3:C-3:C-3:	C[3x6]-4:B-3:C-3:	C(NC[3x6]B)(CC[6a]C)(S)	C(C[6a]C[6a]2)(CC[6a]C)(CNS)	N(C[3x6]C[6,6]3)(BC[6a]C)(CCS)	C(NC[3x6]B)(CC[6a]C)(S)	C(C[6a]C[6a]2)(CC[6a]C)(CNS)	N(C[3x6]C[6,6]3)(BC[6a]C)(CCS)	111.9940	0.000	1	111.9940	0.000	1	111.9940	0.000	1	123.0150	45.412	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:4:3:	C-3:N-3:H-1:	C-3:C-3:C-3:	C-4:C-4:C-3:	C(CCC)(NCC)(H)	C(CC[6a]C)(CHN)(COO)	N(CCHH)(CH3)(CCH)	C(CCC)(NCC)(H)	C(CC[6a]C)(CHN)(COO)	N(CCHH)(CH3)(CCH)	131.0030	0.000	1	131.0030	0.000	1	130.7954	0.921	9	125.4245	52.857	46	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:4:3:	C-3:N-3:H-1:	C-3:C-3:C-3:	C-4:C-4:C-3:	C(CCC)(NCC)(H)	C(CC[6a]N)(CHN)(CNO)	N(CH3)2(CCH)	C(CCC)(NCC)(H)	C(CC[6a]N)(CHN)(CNO)	N(CH3)2(CCH)	131.3340	0.752	5	131.3340	0.566	5	130.7954	0.921	9	125.4245	52.857	46	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:4:3:	C-3:N-3:H-1:	C-3:C-3:C-3:	C-4:C-4:C-3:	C(CCC)(NCC)(H)	C(CC[6a]N)(CHN)(CNS)	N(CH3)2(CCH)	C(CCC)(NCC)(H)	C(CC[6a]N)(CHN)(CNS)	N(CH3)2(CCH)	130.1830	0.232	2	130.1830	0.054	2	130.7954	0.921	9	125.4245	52.857	46	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:4:3:	C-3:N-3:H-1:	C-3:C-3:C-3:	C-4:C-4:C-3:	C(CCC)(NCC)(H)	C(CC[6a]O)(CHN)(COO)	N(CH3)2(CCH)	C(CCC)(NCC)(H)	C(CC[6a]O)(CHN)(COO)	N(CH3)2(CCH)	129.1200	0.000	1	129.1200	0.000	1	130.7954	0.921	9	125.4245	52.857	46	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:4:3:	C-3:N-3:H-1:	C-3:C-3:N-3:	C-4:C-4:C-3:	C(CCN)(NCC)(H)	C(CC[6a]O)(CHN)(NHS)	N(CH3)2(CCH)	C(CCN)(NCC)(H)	C(CC[6a]O)(CHN)(NHS)	N(CH3)2(CCH)	131.4600	0.653	2	131.4600	0.427	2	132.0763	1.353	3	125.4245	52.857	46	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:4:3:	C-3:N-3:H-1:	C-3:C-3:N-3:	C-4:C-4:C-3:	C(CCN)(NCC)(H)	C(CCrO)(CHN)(NCC)	N(CCHH)2(CCH)	C(CCN)(NCC)(H)	C(CCrO)(CHN)(NCC)	N(CCHH)2(CCH)	133.3090	0.000	1	133.3090	0.000	1	132.0763	1.353	3	125.4245	52.857	46	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:4:3:	C-3:N-3:H-1:	C[5a]-3:C-3:C-3:	C-4:C-4:C-3:	C(CC[5a]C)(NCC)(H)	C(C[5a]C[5a]N[5a])(CCH)(CHN)	N(CH3)2(CCH)	C(CC[5a]C)(NCC)(H)	C(C[5a]C[5a]N[5a])(CCH)(CHN)	N(CH3)2(CCH)	132.6960	0.751	2	132.6960	0.564	2	132.6960	0.564	2	125.4245	52.857	46	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:4:3:	C-3:N-3:H-1:	C[5a]-3:C-3:C-3:	S-4:C-4:C-3:	C(CC[5a]C)(NCS)(H)	C(C[5a]C[5a]N[5a])(CHN)2	N(SC[6a]OO)(CCHH)(CCH)	C(CC[5a]C)(NCS)(H)	C(C[5a]C[5a]N[5a])(CHN)2	N(SC[6a]OO)(CCHH)(CCH)	127.7620	0.000	1	127.7620	0.000	1	127.7620	0.000	1	125.4245	52.857	46	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:4:3:	C-3:N-3:H-1:	C[5a]-3:C[6a]-3:C-3:	S-4:C-4:C-3:	C(CC[5a]C[6a])(NCS)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHN)	N(SC[6a]OO)(CCHH)(CCH)	C(CC[5a]C[6a])(NCS)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHN)	N(SC[6a]OO)(CCHH)(CCH)	124.1720	0.000	1	124.1720	0.000	1	124.1720	0.000	1	125.4245	52.857	46	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:4:3:	C-3:N-3:H-1:	C[6]-3:C[6a]-3:C-3:	C-4:C-4:C-3:	C(CC[6a]C[6])(NCC)(H)	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)(CHN)	N(CH3)2(CCH)	C(CC[6a]C[6])(NCC)(H)	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)(CHN)	N(CH3)2(CCH)	129.4400	0.000	1	129.4400	0.000	1	129.4400	0.000	1	125.4245	52.857	46	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:4:3:	C-3:N-3:H-1:	C[6a]-3:C-3:C-3:	C-4:C-4:C-3:	C(CC[6a]C)(NCC)(H)	C(C[6a]C[6a]2)(CHN)(COO)	N(CH3)2(CCH)	C(CC[6a]C)(NCC)(H)	C(C[6a]C[6a]2)(CHN)(COO)	N(CH3)2(CCH)	131.9602	0.642	6	131.9602	0.413	6	131.9924	0.303	10	125.4245	52.857	46	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:4:3:	C-3:N-3:H-1:	C[6a]-3:C-3:C-3:	C-4:C-4:C-3:	C(CC[6a]C)(NCC)(H)	C(C[6a]C[6a]2)(CHN)2	N(CH3)2(CCH)	C(CC[6a]C)(NCC)(H)	C(C[6a]C[6a]2)(CHN)2	N(CH3)2(CCH)	131.9180	0.232	2	131.9180	0.054	2	131.9924	0.303	10	125.4245	52.857	46	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:4:3:	C-3:N-3:H-1:	C[6a]-3:C-3:C-3:	C-4:C-4:C-3:	C(CC[6a]C)(NCC)(H)	C(C[6a]C[6a]N[6a])(CHN)(CHO)	N(CH3)2(CCH)	C(CC[6a]C)(NCC)(H)	C(C[6a]C[6a]N[6a])(CHN)(CHO)	N(CH3)2(CCH)	132.6820	0.000	1	132.6820	0.000	1	131.9924	0.303	10	125.4245	52.857	46	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:4:3:	C-3:N-3:H-1:	C[6a]-3:C-3:C-3:	C-4:C-4:C-3:	C(CC[6a]C)(NCC)(H)	C(C[6a]N[5a,6a]C[6a])(CHN)(COO)	N(CH3)2(CCH)	C(CC[6a]C)(NCC)(H)	C(C[6a]N[5a,6a]C[6a])(CHN)(COO)	N(CH3)2(CCH)	131.6450	0.000	1	131.6450	0.000	1	131.9924	0.303	10	125.4245	52.857	46	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:4:3:	C-3:N-3:H-1:	C[6a]-3:C-3:C-3:	S-4:C-4:C-3:	C(CC[6a]C)(NCS)(H)	C(C[6a]C[6a]2)(CHN)(COO)	N(SC[6a]OO)(CCHH)(CCH)	C(CC[6a]C)(NCS)(H)	C(C[6a]C[6a]2)(CHN)(COO)	N(SC[6a]OO)(CCHH)(CCH)	127.5700	0.000	1	127.5700	0.000	1	127.5700	0.000	1	125.4245	52.857	46	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:4:3:	C-3:N-3:O-1:	C-3:C-3:C-3:	C-4:C-4:C-3:	C(CCC)(NCC)(O)	C(CCN)(CCO)(CNO)	N(CCCH)2(CCO)	C(CCC)(NCC)(O)	C(CCN)(CCO)(CNO)	N(CCCH)2(CCO)	119.2340	0.000	1	119.2340	0.000	1	119.2340	0.000	1	125.4245	52.857	46	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:4:3:	C-3:N-3:O-1:	C[5]-3:C-3:C-3:	C-4:C-4:C-3:	C(CC[5]C)(NCC)(O)	C(C[5]C[5]2)(CC[6a]H)(CNO)	N(CH3)2(CCO)	C(CC[5]C)(NCC)(O)	C(C[5]C[5]2)(CC[6a]H)(CNO)	N(CH3)2(CCO)	116.3950	0.000	1	116.3950	0.000	1	116.3950	0.000	1	125.4245	52.857	46	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:4:3:	C-3:N-3:O-1:	C[5a]-3:C-3:C-3:	C-4:C-4:C-3:	C(CC[5a]C)(NCC)(O)	C(C[5a]C[5a]O[5a])(CC[5a]C[6a])(CNO)	N(CH3)2(CCO)	C(CC[5a]C)(NCC)(O)	C(C[5a]C[5a]O[5a])(CC[5a]C[6a])(CNO)	N(CH3)2(CCO)	116.6960	0.000	1	116.6960	0.000	1	116.6960	0.000	1	125.4245	52.857	46	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:4:3:	C-3:N-3:O-1:	C[6a]-3:C-3:C-3:	C-4:C-4:C-3:	C(CC[6a]C)(NCC)(O)	C(C[6a]C[6a]2)(CCC)(CNO)	N(CCCH)(CCHH)(CCO)	C(CC[6a]C)(NCC)(O)	C(C[6a]C[6a]2)(CCC)(CNO)	N(CCCH)(CCHH)(CCO)	114.6930	0.000	1	114.6930	0.000	1	116.6370	3.828	15	125.4245	52.857	46	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:4:3:	C-3:N-3:O-1:	C[6a]-3:C-3:C-3:	C-4:C-4:C-3:	C(CC[6a]C)(NCC)(O)	C(C[6a]C[6a]2)(CCC)(CNO)	N(CCHH)(CH3)(CCO)	C(CC[6a]C)(NCC)(O)	C(C[6a]C[6a]2)(CCC)(CNO)	N(CCHH)(CH3)(CCO)	114.1587	0.518	3	114.1587	0.268	3	116.6370	3.828	15	125.4245	52.857	46	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:4:3:	C-3:N-3:O-1:	C[6a]-3:C-3:C-3:	C-4:C-4:C-3:	C(CC[6a]C)(NCC)(O)	C(C[6a]C[6a]2)(CCH)(CNO)	N(CC[6a]HH)(CCHH)(CCO)	C(CC[6a]C)(NCC)(O)	C(C[6a]C[6a]2)(CCH)(CNO)	N(CC[6a]HH)(CCHH)(CCO)	116.6375	0.805	2	116.6375	0.649	2	116.6370	3.828	15	125.4245	52.857	46	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:4:3:	C-3:N-3:O-1:	C[6a]-3:C-3:C-3:	C-4:C-4:C-3:	C(CC[6a]C)(NCC)(O)	C(C[6a]C[6a]2)(CCH)(CNO)	N(CC[6a]HH)2(CCO)	C(CC[6a]C)(NCC)(O)	C(C[6a]C[6a]2)(CCH)(CNO)	N(CC[6a]HH)2(CCO)	115.6590	0.000	1	115.6590	0.000	1	116.6370	3.828	15	125.4245	52.857	46	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:4:3:	C-3:N-3:O-1:	C[6a]-3:C-3:C-3:	C-4:C-4:C-3:	C(CC[6a]C)(NCC)(O)	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	N(CC[6a]HH)(CCHH)(CCO)	C(CC[6a]C)(NCC)(O)	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	N(CC[6a]HH)(CCHH)(CCO)	114.5080	0.000	1	114.5080	0.000	1	116.6370	3.828	15	125.4245	52.857	46	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:4:3:	C-3:N-3:O-1:	C[6a]-3:C-3:C-3:	C-4:C-4:C-3:	C(CC[6a]C)(NCC)(O)	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	N(CCHH)2(CCO)	C(CC[6a]C)(NCC)(O)	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	N(CCHH)2(CCO)	119.2530	0.000	1	119.2530	0.000	1	116.6370	3.828	15	125.4245	52.857	46	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:4:3:	C-3:N-3:O-1:	C[6a]-3:C-3:C-3:	C-4:C-4:C-3:	C(CC[6a]C)(NCC)(O)	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	N(CC[6a]HH)2(CCO)	C(CC[6a]C)(NCC)(O)	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	N(CC[6a]HH)2(CCO)	118.3074	0.635	5	118.3074	0.403	5	116.6370	3.828	15	125.4245	52.857	46	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:3:3:	4:4:3:	C-3:N-3:O-1:	C[6a]-3:C-3:C-3:	C-4:C-4:C-3:	C(CC[6a]C)(NCC)(O)	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	N(CH3)2(CCO)	C(CC[6a]C)(NCC)(O)	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	N(CH3)2(CCO)	118.1540	0.000	1	118.1540	0.000	1	116.6370	3.828	15	125.4245	52.857	46	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:4:3:	3:1:1:	C-3:N-3:H-1:	C[5a]-3:C-4:C-3:	C-3:O-1:O-1:	C(CC[5a]C)(NOO)(H)	C(C[5a]C[5a]O[5a])(CH3)(CHN)	N(CCH)(O)2	C(CC[5a]C)(NOO)(H)	C(C[5a]C[5a]O[5a])(CH3)(CHN)	N(CCH)(O)2	125.1300	0.000	1	125.1300	0.000	1	125.1300	0.000	1	120.5033	25.260	6	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:4:3:	3:1:1:	C-3:N-3:H-1:	C[6a]-3:C-4:C-3:	C-3:O-1:O-1:	C(CC[6a]C)(NOO)(H)	C(C[6a]C[6a]2)(CF3)(CHN)	N(CCH)(O)2	C(CC[6a]C)(NOO)(H)	C(C[6a]C[6a]2)(CF3)(CHN)	N(CCH)(O)2	123.7960	0.000	1	123.7960	0.000	1	124.9885	2.844	2	120.5033	25.260	6	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:4:3:	3:1:1:	C-3:N-3:H-1:	C[6a]-3:C-4:C-3:	C-3:O-1:O-1:	C(CC[6a]C)(NOO)(H)	C(C[6a]C[6a]2)(CHHS)(CHN)	N(CCH)(O)2	C(CC[6a]C)(NOO)(H)	C(C[6a]C[6a]2)(CHHS)(CHN)	N(CCH)(O)2	126.1810	0.000	1	126.1810	0.000	1	124.9885	2.844	2	120.5033	25.260	6	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:4:3:	3:1:1:	C-3:N-3:O-1:	C-3:P-4:C-3:	C-3:H-1:H-1:	C(CCP)(NHH)(O)	C(CC[6a]H)(PO3)(CNO)	N(CCO)(H)2	C(CCP)(NHH)(O)	C(CC[6a]H)(PO3)(CNO)	N(CCO)(H)2	115.9710	0.308	3	115.9710	0.095	3	115.9710	0.095	3	120.5033	25.260	6	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:4:3:	3:3:1:	C-3:N-3:H-1:	C[6a]-3:P-4:C-3:	C-3:C-3:H-1:	C(CC[6a]P)(NCH)(H)	C(C[6a]C[6a]2)(PC[6a]2O)(CHN)	N(CC[6a]O)(CCH)(H)	C(CC[6a]P)(NCH)(H)	C(C[6a]C[6a]2)(PC[6a]2O)(CHN)	N(CC[6a]O)(CCH)(H)	124.7765	2.156	2	124.7765	4.648	2	124.7765	4.648	2	122.9851	12.683	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:4:3:	3:3:1:	C-3:N-3:O-1:	C-3:C-4:C-3:	C-3:C-3:H-1:	C(CCC)(NCH)(O)	C(CC[6a]C)(CCHH)(CNO)	N(CCO)2(H)	C(CCC)(NCH)(O)	C(CC[6a]C)(CCHH)(CNO)	N(CCO)2(H)	124.2010	0.000	1	124.2010	0.000	1	124.2010	0.000	1	122.9851	12.683	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:4:3:	3:3:1:	N-3:C-3:H-1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(H)	C(CC[6a]O)(CH3)(CHN)	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CCC)(H)	C(CC[6a]O)(CH3)(CHN)	N(C[6a]C[6a]2)(CCH)(H)	125.8430	0.000	1	125.8430	0.000	1	125.8430	0.000	1	122.9851	12.683	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:4:3:	3:3:1:	N-3:C-3:O-1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(O)	C(CC[6a]H)(CHHS)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCC)(O)	C(CC[6a]H)(CHHS)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	120.4330	4.234	3	120.4330	17.924	3	120.4330	17.924	3	122.9851	12.683	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:4:3:	3:3:3:	C-3:N-3:H-1:	C[6a]-3:Ge-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]Ge)(NC[6a]C)(H)	C(C[6a]C[6a]2)(GeC[6a]3)(CHN)	N(C[6a]C[6a]2)(CCH)(COO)	C(CC[6a]Ge)(NC[6a]C)(H)	C(C[6a]C[6a]2)(GeC[6a]3)(CHN)	N(C[6a]C[6a]2)(CCH)(COO)	126.3840	0.000	1	126.3840	0.000	1	126.3840	0.000	1	122.5020	30.140	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:4:3:	3:3:3:	N-3:C-3:O-1:	C-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(CCC)(O)	C(CC[6a]C)(CCHH)(CNO)	N(C[6a]C[6a]2)2(CCO)	C(NC[6a]2)(CCC)(O)	C(CC[6a]C)(CCHH)(CNO)	N(C[6a]C[6a]2)2(CCO)	118.6200	0.000	1	118.6200	0.000	1	118.6200	0.000	1	122.5020	30.140	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:4:3:	3:4:3:	C-3:N-3:H-1:	C[6a]-3:C-4:C-3:	C-3:C-4:C-3:	C(CC[6a]C)(NCC)(H)	C(C[6a]C[6a]2)(CH3)(CHN)	N(CC[6a]S)(CCCH)(CCH)	C(CC[6a]C)(NCC)(H)	C(C[6a]C[6a]2)(CH3)(CHN)	N(CC[6a]S)(CCCH)(CCH)	123.0920	0.522	2	123.0920	0.272	2	124.3843	5.147	3	124.3843	5.147	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:4:3:	3:4:3:	C-3:N-3:H-1:	C[6a]-3:C-4:C-3:	C-3:C-4:C-3:	C(CC[6a]C)(NCC)(H)	C(C[6a]C[6a]2)(CH3)(CHN)	N(CC[6a]S)(CH3)(CCH)	C(CC[6a]C)(NCC)(H)	C(C[6a]C[6a]2)(CH3)(CHN)	N(CC[6a]S)(CH3)(CCH)	126.9690	0.000	1	126.9690	0.000	1	124.3843	5.147	3	124.3843	5.147	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:4:3:	4:3:1:	C-3:N-3:H-1:	C-3:C-4:C-3:	C-4:C-3:H-1:	C(CCC)(NCH)(H)	C(CC[6a]O)(CH3)(CHN)	N(CCHH)(CCH)(H)	C(CCC)(NCH)(H)	C(CC[6a]O)(CH3)(CHN)	N(CCHH)(CCH)(H)	125.8485	0.262	2	125.8485	0.069	2	125.8485	0.069	2	119.5200	25.107	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:4:3:	4:3:1:	C-3:N-3:H-1:	C-3:C-4:C-3:	S-4:C-3:H-1:	C(CCC)(NHS)(H)	C(CC[5a]H)(CCHH)(CHN)	N(SC[6a]OO)(CCH)(H)	C(CCC)(NHS)(H)	C(CC[5a]H)(CCHH)(CHN)	N(SC[6a]OO)(CCH)(H)	122.2870	0.000	1	122.2870	0.000	1	122.2870	0.000	1	119.5200	25.107	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:4:3:	4:3:1:	C-3:N-3:O-1:	C-3:C-4:C-3:	C-4:C-3:H-1:	C(CCC)(NCH)(O)	C(CC[6a]Cl)(CC[5]HH)(CNO)	N(CC[6a]HH)(CCO)(H)	C(CCC)(NCH)(O)	C(CC[6a]Cl)(CC[5]HH)(CNO)	N(CC[6a]HH)(CCO)(H)	116.0790	0.000	1	116.0790	0.000	1	116.0687	0.688	3	119.5200	25.107	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:4:3:	4:3:1:	C-3:N-3:O-1:	C-3:C-4:C-3:	C-4:C-3:H-1:	C(CCC)(NCH)(O)	C(CC[6a]H)(CH3)(CNO)	N(CC3)(CCO)(H)	C(CCC)(NCH)(O)	C(CC[6a]H)(CH3)(CNO)	N(CC3)(CCO)(H)	115.2340	0.000	1	115.2340	0.000	1	116.0687	0.688	3	119.5200	25.107	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:4:3:	4:3:1:	C-3:N-3:O-1:	C-3:C-4:C-3:	C-4:C-3:H-1:	C(CCC)(NCH)(O)	C(CC[6a]H)(CH3)(CNO)	N(CH3)(CCO)(H)	C(CCC)(NCH)(O)	C(CC[6a]H)(CH3)(CNO)	N(CH3)(CCO)(H)	116.8930	0.000	1	116.8930	0.000	1	116.0687	0.688	3	119.5200	25.107	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:4:3:	4:3:1:	C-3:N-3:O-1:	C-3:Si-4:C-3:	C-4:C-3:H-1:	C(CSiC)(NCH)(O)	C(CC[6a]C)(SiC3)(CNO)	N(CC[6a]HH)(CCO)(H)	C(CSiC)(NCH)(O)	C(CC[6a]C)(SiC3)(CNO)	N(CC[6a]HH)(CCO)(H)	114.4500	0.000	1	114.4500	0.000	1	114.4500	0.000	1	119.5200	25.107	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:4:3:	4:3:4:	C-3:N-3:Cl-1:	C[6a]-3:C-4:C-3:	S-4:C-3:C-4:	C(CC[6a]C)(NCS)(Cl)	C(C[6a]C[6a]2)(CC[6a]2H)(CClN)	N(SCOO)(CClC)(CH3)	C(CC[6a]C)(NCS)(Cl)	C(C[6a]C[6a]2)(CC[6a]2H)(CClN)	N(SCOO)(CClC)(CH3)	123.8480	0.000	1	123.8480	0.000	1	123.8480	0.000	1	123.8480	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:4:3:	4:4:3:	C-3:N-3:H-1:	B-3:Si-4:C-3:	C-4:C-4:C-3:	C(CSiB)(NCC)(H)	C(BC[6a]2)(SiC3)(CHN)	N(CCCH)2(CCH)	C(CSiB)(NCC)(H)	C(BC[6a]2)(SiC3)(CHN)	N(CCCH)2(CCH)	129.0860	0.000	1	129.0860	0.000	1	129.0860	0.000	1	126.1699	21.363	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:4:3:	4:4:3:	C-3:N-3:H-1:	C[4]-3:Si-4:C-3:	C-4:C-4:C-3:	C(CC[4]Si)(NCC)(H)	C(C[4]N[4]2)(SiC3)(CHN)	N(CCCH)2(CCH)	C(CC[4]Si)(NCC)(H)	C(C[4]N[4]2)(SiC3)(CHN)	N(CCCH)2(CCH)	134.6070	0.000	1	134.6070	0.000	1	134.6070	0.000	1	126.1699	21.363	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:4:3:	4:4:3:	C-3:N-3:H-1:	C[5a]-3:C-4:C-3:	C-4:S-4:C-3:	C(CC[5a]C)(NCS)(H)	C(C[5a]C[5a,6a]2)(CH3)(CHN)	N(CC[6a]HH)(SC[6a]OO)(CCH)	C(CC[5a]C)(NCS)(H)	C(C[5a]C[5a,6a]2)(CH3)(CHN)	N(CC[6a]HH)(SC[6a]OO)(CCH)	125.8910	0.000	1	125.8910	0.000	1	125.8910	0.000	1	126.1699	21.363	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:4:3:	4:4:3:	C-3:N-3:H-1:	C[6a]-3:C-4:C-3:	C-4:S-4:C-3:	C(CC[6a]C)(NCS)(H)	C(C[6a]C[6a]2)(CC[6]HO)(CHN)	N(CC[6a]HH)(SC[6a]OO)(CCH)	C(CC[6a]C)(NCS)(H)	C(C[6a]C[6a]2)(CC[6]HO)(CHN)	N(CC[6a]HH)(SC[6a]OO)(CCH)	124.5320	0.351	2	124.5320	0.123	2	124.5320	0.123	2	126.1699	21.363	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:4:3:	4:4:3:	C-3:N-3:H-1:	C[6a]-3:C-4:C-3:	C[6]-4:S-4:C-3:	C(CC[6a]C)(NC[6]S)(H)	C(C[6a]C[6a]2)(CCHH)(CHN)	N(C[6]C[6,6a]N[6]H)(SC[6a]OO)(CCH)	C(CC[6a]C)(NC[6]S)(H)	C(C[6a]C[6a]2)(CCHH)(CHN)	N(C[6]C[6,6a]N[6]H)(SC[6a]OO)(CCH)	124.7720	0.000	1	124.7720	0.000	1	124.7720	0.000	1	126.1699	21.363	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	3:4:3:	4:4:3:	C-3:N-3:O-1:	C[5]-3:C-4:C-3:	S-4:C-4:C-3:	C(CC[5]C)(NCS)(O)	C(C[5]C[5,6a]C[5])(CCHH)(CNO)	N(SC[6a]OO)(CCHH)(CCO)	C(CC[5]C)(NCS)(O)	C(C[5]C[5,6a]C[5])(CCHH)(CNO)	N(SC[6a]OO)(CCHH)(CCO)	119.7690	0.000	1	119.7690	0.000	1	119.7690	0.000	1	126.1699	21.363	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:2:3:	4:4:3:	C-3:N-3:H-1:	S-4:S-2:C-3:	C-4:C-4:C-3:	C(CSS)(NCC)(H)	C(SC[6a]OO)(SC[6a])(CHN)	N(CCCH)2(CCH)	C(CSS)(NCC)(H)	C(SC[6a]OO)(SC[6a])(CHN)	N(CCCH)2(CCH)	133.8645	0.217	2	133.8645	0.047	2	133.8645	0.047	2	133.8645	0.047	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:1:	3:1:1:	C-3:N-3:O-1:	C-4:C-3:O-1:	C-3:H-1:H-1:	C(CCO)(NHH)(O)	C(CC[6a]BrH)(CNO)(O)	N(CCO)(H)2	C(CCO)(NHH)(O)	C(CC[6a]BrH)(CNO)(O)	N(CCO)(H)2	114.5240	0.000	1	114.5240	0.000	1	114.5240	0.000	1	114.5240	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:1:	3:3:1:	C-3:N-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)(NCH)(H)	C(CCCH)(CHN)(H)	N(CCH)(CCO)(H)	C(CCH)(NCH)(H)	C(CCCH)(CHN)(H)	N(CCH)(CCO)(H)	125.1788	1.564	5	125.1788	2.446	5	125.4575	2.363	11	123.3968	27.281	13	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:1:	3:3:1:	C-3:N-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)(NCH)(H)	C(CCHH)(CHN)(H)	N(CCH)(CCO)(H)	C(CCH)(NCH)(H)	C(CCHH)(CHN)(H)	N(CCH)(CCO)(H)	124.9650	0.983	2	124.9650	0.966	2	125.4575	2.363	11	123.3968	27.281	13	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:1:	3:3:1:	C-3:N-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)(NCH)(H)	C(CCHH)(CHN)(H)	N(CCH)(CNO)(H)	C(CCH)(NCH)(H)	C(CCHH)(CHN)(H)	N(CCH)(CNO)(H)	124.8730	0.000	1	124.8730	0.000	1	125.4575	2.363	11	123.3968	27.281	13	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:1:	3:3:1:	C-3:N-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)(NCH)(H)	C(CCHO)(CHN)(H)	N(CCH)(CCO)(H)	C(CCH)(NCH)(H)	C(CCHO)(CHN)(H)	N(CCH)(CCO)(H)	124.0360	0.000	1	124.0360	0.000	1	125.4575	2.363	11	123.3968	27.281	13	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:1:	3:3:1:	C-3:N-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)(NCH)(H)	C(CC[6a]2H)(CHN)(H)	N(CCH)(CCO)(H)	C(CCH)(NCH)(H)	C(CC[6a]2H)(CHN)(H)	N(CCH)(CCO)(H)	127.6500	0.168	2	127.6500	0.028	2	125.4575	2.363	11	123.3968	27.281	13	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:1:	3:3:1:	N-3:C-3:O-1:	C-4:C-3:O-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCO)(O)	C(CCCH)(CNO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCO)(O)	C(CCCH)(CNO)(O)	N(C[6a]C[6a]2)(CCO)(H)	111.8140	0.000	1	111.8140	0.000	1	112.0630	0.124	2	123.3968	27.281	13	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:1:	3:3:1:	N-3:C-3:O-1:	C-4:C-3:O-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCO)(O)	C(CHSS)(CNO)(O)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCO)(O)	C(CHSS)(CNO)(O)	N(C[6a]C[6a]2)(CCO)(H)	112.3120	0.000	1	112.3120	0.000	1	112.0630	0.124	2	123.3968	27.281	13	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:1:	3:4:3:	C-3:N-3:H-1:	C-4:C-3:Br-1:	C-3:C-4:C-3:	C(CBrC)(NCC)(H)	C(CC[6]HH)(CHN)(Br)	N(CC[6]O)(CCHH)(CCH)	C(CBrC)(NCC)(H)	C(CC[6]HH)(CHN)(Br)	N(CC[6]O)(CCHH)(CCH)	121.6410	0.000	1	121.6410	0.000	1	121.6410	0.000	1	120.4577	6.597	6	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:1:	3:4:3:	N-3:C-3:H-1:	C-4:C-3:H-1:	C[6a]-3:Cl-4:C-3:	C(NC[6a]Cl)(CCH)(H)	C(CHHN)(CHN)(H)	N(C[6a]C[6a]2)(ClC[6a]OO)(CCH)	C(NC[6a]Cl)(CCH)(H)	C(CHHN)(CHN)(H)	N(C[6a]C[6a]2)(ClC[6a]OO)(CCH)	125.1780	0.000	1	125.1780	0.000	1	125.1780	0.000	1	120.4577	6.597	6	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:1:	3:4:3:	N-3:C-3:O-1:	C-4:C-3:O-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCO)(O)	C(CC[6a]ClH)(CNO)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCO)(O)	C(CC[6a]ClH)(CNO)(O)	N(C[6a]C[6a]2)(CH3)(CCO)	118.9818	0.443	4	118.9818	0.196	4	118.9818	0.196	4	120.4577	6.597	6	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:1:	4:3:1:	C-3:N-3:O-1:	C-4:C-3:O-1:	C-4:C-3:H-1:	C(CCO)(NCH)(O)	C(CCHH)(CNO)(O)	N(CCCH)(CCO)(H)	C(CCO)(NCH)(O)	C(CCHH)(CNO)(O)	N(CCCH)(CCO)(H)	111.9060	0.000	1	111.9060	0.000	1	111.9060	0.000	1	112.9945	2.370	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:1:	4:3:1:	C-3:N-3:O-1:	C[5]-4:C-3:O-1:	C-4:C-3:H-1:	C(CC[5]O)(NCH)(O)	C(C[5]C[5]2H)(CNO)(O)	N(CC[6a]HH)(CCO)(H)	C(CC[5]O)(NCH)(O)	C(C[5]C[5]2H)(CNO)(O)	N(CC[6a]HH)(CCO)(H)	114.0830	0.000	1	114.0830	0.000	1	114.0830	0.000	1	112.9945	2.370	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:1:	4:3:3:	C-3:N-3:H-1:	C-4:C-3:H-1:	C-4:C-3:C-3:	C(CCH)(NCC)(H)	C(CCHH)(CHN)(H)	N(CH3)(CCH)(CCO)	C(CCH)(NCC)(H)	C(CCHH)(CHN)(H)	N(CH3)(CCH)(CCO)	120.8810	0.000	3	120.8810	0.000	3	123.0062	8.793	5	123.0062	8.793	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:1:	4:3:3:	C-3:N-3:H-1:	C-4:C-3:H-1:	C-4:C-3:C-3:	C(CCH)(NCC)(H)	C(CCHN)(CHN)(H)	N(CCHH)(CCH)(CCO)	C(CCH)(NCC)(H)	C(CCHN)(CHN)(H)	N(CCHH)(CCH)(CCO)	127.0000	0.000	1	127.0000	0.000	1	123.0062	8.793	5	123.0062	8.793	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:1:	4:3:3:	C-3:N-3:H-1:	C-4:C-3:H-1:	C-4:C-3:C-3:	C(CCH)(NCC)(H)	C(CC[5a]CC)(CHN)(H)	N(CCCH)(CCH)(COO)	C(CCH)(NCC)(H)	C(CC[5a]CC)(CHN)(H)	N(CCCH)(CCH)(COO)	125.3880	0.000	1	125.3880	0.000	1	123.0062	8.793	5	123.0062	8.793	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:1:	4:4:3:	C-3:N-3:H-1:	C-4:C-3:H-1:	S-4:C-4:C-3:	C(CCH)(NCS)(H)	C(CN[5a]HH)(CHN)(H)	N(SC[6a]OO)(CH3)(CCH)	C(CCH)(NCS)(H)	C(CN[5a]HH)(CHN)(H)	N(SC[6a]OO)(CH3)(CCH)	125.5630	0.000	1	125.5630	0.000	1	125.5630	0.000	1	126.2416	12.565	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:1:	4:4:3:	C-3:N-3:H-1:	C[3]-4:C-3:H-1:	S-4:C-4:C-3:	C(CC[3]H)(NCS)(H)	C(C[3]C[3,6]2H)(CHN)(H)	N(SC[6a]OO)(CCHH)(CCH)	C(CC[3]H)(NCS)(H)	C(C[3]C[3,6]2H)(CHN)(H)	N(SC[6a]OO)(CCHH)(CCH)	128.1130	0.000	1	128.1130	0.000	1	128.1130	0.000	1	126.2416	12.565	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:1:	4:4:3:	C-3:N-3:H-1:	C[5]-4:C-3:H-1:	C-4:C-4:C-3:	C(CC[5]H)(NCC)(H)	C(C[5]C[5]2Co)(CHN)(H)	N(CCCH)2(CCH)	C(CC[5]H)(NCC)(H)	C(C[5]C[5]2Co)(CHN)(H)	N(CCCH)2(CCH)	128.6805	0.187	2	128.6805	0.035	2	128.6805	0.035	2	126.2416	12.565	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:1:	4:4:3:	C-3:N-3:H-1:	S-4:C-3:H-1:	C-4:C-4:C-3:	C(CHS)(NCC)(H)	C(SC[6a]OO)(CHN)(H)	N(CCHH)2(CCH)	C(CHS)(NCC)(H)	C(SC[6a]OO)(CHN)(H)	N(CCHH)2(CCH)	127.0190	0.373	2	127.0190	0.139	2	127.0190	0.139	2	126.2416	12.565	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:1:	4:4:3:	C-3:N-3:O-1:	C[5,6]-4:C-3:O-1:	C-4:C-4:C-3:	C(CC[5,6]O)(NCC)(O)	C(C[5,6]C[5,6a]C[5,6]C[6])(CNO)(O)	N(CCHH)2(CCO)	C(CC[5,6]O)(NCC)(O)	C(C[5,6]C[5,6a]C[5,6]C[6])(CNO)(O)	N(CCHH)2(CCO)	118.6160	0.000	1	118.6160	0.000	1	118.6160	0.000	1	126.2416	12.565	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:2:	3:2:1:	C-3:N-3:O-1:	C-4:C-3:N-2:	C-3:N-2:H-1:	C(CCN)(NHN)(O)	C(CH3)(CNO)(NO)	N(CCO)(NC)(H)	C(CCN)(NHN)(O)	C(CH3)(CNO)(NO)	N(CCO)(NC)(H)	116.1310	1.556	3	116.1310	2.420	3	116.1310	2.420	3	116.1310	2.420	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:2:	3:3:1:	C-3:N-3:H-1:	S-4:C-3:C-2:	C-3:N-3:H-1:	C(CCS)(NHN)(H)	C(SCOO)(CHN)(CN)	N(CCH)(NCC)(H)	C(CCS)(NHN)(H)	C(SCOO)(CHN)(CN)	N(CCH)(NCC)(H)	127.9780	0.000	1	127.9780	0.000	1	127.9780	0.000	1	121.0030	44.037	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:2:	3:3:1:	C-3:N-3:O-1:	C-4:C-3:N-2:	N-3:C-3:H-1:	C(CCN)(NHN)(O)	C(CH3)(CNO)(NO)	N(NNiC)(CCO)(H)	C(CCN)(NHN)(O)	C(CH3)(CNO)(NO)	N(NNiC)(CCO)(H)	114.7680	0.000	1	114.7680	0.000	1	114.7680	0.000	1	121.0030	44.037	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:2:	3:3:1:	N-3:C-3:S-1:	S-4:C-3:C-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCS)(S)	C(SC[6a]OO)(CNS)(CN)	N(C[6a]C[6a]2)(CCS)(H)	C(NC[6a]H)(CCS)(S)	C(SC[6a]OO)(CNS)(CN)	N(C[6a]C[6a]2)(CCS)(H)	120.2630	0.000	1	120.2630	0.000	1	120.2630	0.000	1	121.0030	44.037	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:2:	3:4:3:	N-3:C-3:O-1:	C-4:C-3:C-2:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCC)(O)	C(CC[6a]HH)(CNO)(CC)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	C(NC[6a]C)(CCC)(O)	C(CC[6a]HH)(CNO)(CC)	N(C[6a]C[6a]2)(CC[6a]CH)(CCO)	121.2240	0.000	1	121.2240	0.000	1	121.2240	0.000	1	121.2240	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:2:	4:3:1:	C-3:N-3:O-1:	C-4:C-3:N-2:	C-4:C-3:H-1:	C(CCN)(NCH)(O)	C(CC[6a]HH)(CNO)(NN)	N(CCHH)(CCO)(H)	C(CCN)(NCH)(O)	C(CC[6a]HH)(CNO)(NN)	N(CCHH)(CCO)(H)	115.9910	0.000	1	115.9910	0.000	1	116.0580	1.330	5	116.0580	1.330	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:2:	4:3:1:	C-3:N-3:O-1:	C-4:C-3:N-2:	C-4:C-3:H-1:	C(CCN)(NCH)(O)	C(CH3)(CNO)(NN)	N(CCHH)(CCO)(H)	C(CCN)(NCH)(O)	C(CH3)(CNO)(NN)	N(CCHH)(CCO)(H)	114.8200	0.000	1	114.8200	0.000	1	116.0580	1.330	5	116.0580	1.330	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:2:	4:3:1:	C-3:N-3:O-1:	C-4:C-3:N-2:	C-4:C-3:H-1:	C(CCN)(NCH)(O)	C(CH3)(CNO)(NO)	N(CCHH)(CCO)(H)	C(CCN)(NCH)(O)	C(CH3)(CNO)(NO)	N(CCHH)(CCO)(H)	116.4930	1.268	3	116.4930	1.607	3	116.0580	1.330	5	116.0580	1.330	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	3:1:1:	C-3:N-3:O-1:	C-4:C-3:C-3:	C-3:H-1:H-1:	C(CCC)(NHH)(O)	C(CCCH)(CHH)(CNO)	N(CCO)(H)2	C(CCC)(NHH)(O)	C(CCCH)(CHH)(CNO)	N(CCO)(H)2	118.0950	0.000	1	118.0950	0.000	1	118.0950	0.000	1	118.0950	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	3:3:1:	C-3:N-3:H-1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(NCH)(H)	C(CCHH)(CHN)(COO)	N(CCH)(CCO)(H)	C(CCC)(NCH)(H)	C(CCHH)(CHN)(COO)	N(CCH)(CCO)(H)	125.7490	0.085	2	125.7490	0.007	2	125.4557	0.510	8	119.9278	21.923	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	3:3:1:	C-3:N-3:H-1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(NCH)(H)	C(CCHH)(CHN)(COO)	N(CC[3x6]O)(CCH)(H)	C(CCC)(NCH)(H)	C(CCHH)(CHN)(COO)	N(CC[3x6]O)(CCH)(H)	126.5130	0.000	1	126.5130	0.000	1	125.4557	0.510	8	119.9278	21.923	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	3:3:1:	C-3:N-3:H-1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(NCH)(H)	C(CF3)(CCC)(CHN)	N(CCH)(CNO)(H)	C(CCC)(NCH)(H)	C(CF3)(CCC)(CHN)	N(CCH)(CNO)(H)	124.0030	0.000	1	124.0030	0.000	1	125.4557	0.510	8	119.9278	21.923	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	3:3:1:	C-3:N-3:H-1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(NCH)(H)	C(CH3)(CHN)(CNO)	N(CCH)(COO)(H)	C(CCC)(NCH)(H)	C(CH3)(CHN)(CNO)	N(CCH)(COO)(H)	125.4447	0.264	3	125.4447	0.070	3	125.4557	0.510	8	119.9278	21.923	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	3:3:1:	C-3:N-3:H-1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(NCH)(H)	C(CH3)(CHN)(CNO)	N(CC[6a]O)(CCH)(H)	C(CCC)(NCH)(H)	C(CH3)(CHN)(CNO)	N(CC[6a]O)(CCH)(H)	125.2980	0.000	1	125.2980	0.000	1	125.4557	0.510	8	119.9278	21.923	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	3:3:1:	N-3:C-3:H-1:	C-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(H)	C(CC[6a]CH)(CCO)(CHN)	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(NC[6a]H)(CCC)(H)	C(CC[6a]CH)(CCO)(CHN)	N(C[6a]C[6a,6a]C[6a])(CCH)(H)	123.3350	0.000	1	123.3350	0.000	1	125.1147	4.730	3	119.9278	21.923	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	3:3:1:	N-3:C-3:H-1:	C-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(H)	C(CC[6a]CH)(CC[6a]O)(CHN)	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CCC)(H)	C(CC[6a]CH)(CC[6a]O)(CHN)	N(C[6a]C[6a]2)(CCH)(H)	127.5390	0.000	1	127.5390	0.000	1	125.1147	4.730	3	119.9278	21.923	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	3:3:1:	N-3:C-3:H-1:	C-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(H)	C(CF3)(CHN)(COO)	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CCC)(H)	C(CF3)(CHN)(COO)	N(C[6a]C[6a]2)(CCH)(H)	124.4700	0.000	1	124.4700	0.000	1	125.1147	4.730	3	119.9278	21.923	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	3:3:1:	N-3:C-3:H-1:	C[5]-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CC[5]C)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(CHN)	N(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CC[5]C)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(CHN)	N(C[6a]C[6a]2)(CCH)(H)	129.3750	1.047	2	129.3750	1.095	2	129.3750	1.095	2	119.9278	21.923	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	3:3:1:	N-3:C-3:O-1:	C-4:C-3:C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(CCC)(O)	C(CH3)(CCH)(CNO)	N(C[6]C[6]2)(CCO)(H)	C(NC[6]H)(CCC)(O)	C(CH3)(CCH)(CNO)	N(C[6]C[6]2)(CCO)(H)	116.1996	1.142	8	116.1996	1.305	8	116.1996	1.305	8	119.9278	21.923	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	3:3:1:	N-3:C-3:O-1:	C-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(O)	C(CB[6]HH)(CHH)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCC)(O)	C(CB[6]HH)(CHH)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	117.8365	0.476	2	117.8365	0.226	2	118.5032	8.986	16	119.9278	21.923	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	3:3:1:	N-3:C-3:O-1:	C-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(O)	C(CCHH)(CHH)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCC)(O)	C(CCHH)(CHH)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	115.1320	0.000	1	115.1320	0.000	1	118.5032	8.986	16	119.9278	21.923	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	3:3:1:	N-3:C-3:O-1:	C-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(O)	C(CC[6a]HH)(CHS)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCC)(O)	C(CC[6a]HH)(CHS)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	121.5666	0.744	7	121.5666	0.553	7	118.5032	8.986	16	119.9278	21.923	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	3:3:1:	N-3:C-3:O-1:	C-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(O)	C(CH3)(CCH)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCC)(O)	C(CH3)(CCH)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	115.5248	1.176	5	115.5248	1.383	5	118.5032	8.986	16	119.9278	21.923	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	3:3:1:	N-3:C-3:O-1:	C-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(O)	C(CH3)(CHH)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCC)(O)	C(CH3)(CHH)(CNO)	N(C[6a]C[6a]2)(CCO)(H)	116.6560	0.000	1	116.6560	0.000	1	118.5032	8.986	16	119.9278	21.923	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	3:3:1:	N-3:C-3:O-1:	C-4:C-3:C-3:	N[5]-3:C-3:H-1:	C(NN[5]H)(CCC)(O)	C(CH3)(CHH)(CNO)	N(N[5]C[5]2)(CCO)(H)	C(NN[5]H)(CCC)(O)	C(CH3)(CHH)(CNO)	N(N[5]C[5]2)(CCO)(H)	115.2848	0.556	4	115.2848	0.309	4	115.2848	0.309	4	119.9278	21.923	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	3:3:1:	N-3:C-3:O-1:	S-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCS)(O)	C(SCCO)(CNO)(COO)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCS)(O)	C(SCCO)(CNO)(COO)	N(C[6a]C[6a]2)(CCO)(H)	116.1850	0.457	2	116.1850	0.209	2	116.1850	0.209	2	119.9278	21.923	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	3:3:3:	N-3:C-3:H-1:	C[5]-4:C-3:C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CC[5]C)(H)	C(C[5]C[5,6a]C[5]C)(CHN)(COO)	N(C[6a]C[6a]2)(CCH)(COO)	C(NC[6a]C)(CC[5]C)(H)	C(C[5]C[5,6a]C[5]C)(CHN)(COO)	N(C[6a]C[6a]2)(CCH)(COO)	130.7540	0.000	1	130.7540	0.000	1	130.7540	0.000	1	117.7110	11.794	18	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	3:3:3:	N-3:C-3:O-1:	C-4:C-3:C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CCC)(O)	C(CCHH)(CHH)(CNO)	N(C[6a]C[6a]2)(CCO)2	C(NC[6a]C)(CCC)(O)	C(CCHH)(CHH)(CNO)	N(C[6a]C[6a]2)(CCO)2	117.7330	0.000	1	117.7330	0.000	1	118.1968	0.842	5	117.7110	11.794	18	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	3:3:3:	N-3:C-3:O-1:	C-4:C-3:C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CCC)(O)	C(CH3)(CHH)(CNO)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(CCO)	C(NC[6a]C)(CCC)(O)	C(CH3)(CHH)(CNO)	N(C[6a]C[6,6a]C[6a])(CC[6a]O)(CCO)	116.7950	0.000	1	116.7950	0.000	1	118.1968	0.842	5	117.7110	11.794	18	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	3:3:3:	N-3:C-3:O-1:	C-4:C-3:C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CCC)(O)	C(CH3)(CHH)(CNO)	N(C[6a]C[6a]2)(CCO)2	C(NC[6a]C)(CCC)(O)	C(CH3)(CHH)(CNO)	N(C[6a]C[6a]2)(CCO)2	118.8205	0.165	2	118.8205	0.027	2	118.1968	0.842	5	117.7110	11.794	18	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	3:3:3:	N-3:C-3:O-1:	C-4:C-3:C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CCC)(O)	C(CH3)(CHH)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CCO)	C(NC[6a]C)(CCC)(O)	C(CH3)(CHH)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(CCO)	118.8150	0.000	1	118.8150	0.000	1	118.1968	0.842	5	117.7110	11.794	18	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	3:3:3:	N-3:C-3:O-1:	C-4:C-3:C-3:	C[6a]-3:C-3:N-3:	C(NC[6a]N)(CCC)(O)	C(CH3)(CHH)(CNO)	N(C[6a]C[6a]2)(CCO)(NCH)	C(NC[6a]N)(CCC)(O)	C(CH3)(CHH)(CNO)	N(C[6a]C[6a]2)(CCO)(NCH)	116.7790	0.000	1	116.7790	0.000	1	116.7790	0.000	1	117.7110	11.794	18	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	3:3:3:	N-3:C-3:O-1:	C-4:C-3:C-3:	C[6a]-3:N[5]-3:C-3:	C(NC[6a]N[5])(CCC)(O)	C(CH3)(CHH)(CNO)	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	C(NC[6a]N[5])(CCC)(O)	C(CH3)(CHH)(CNO)	N(C[6a]C[6a]2)(N[5]C[5]2)(CCO)	116.0850	0.440	2	116.0850	0.193	2	116.0850	0.193	2	117.7110	11.794	18	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	3:3:3:	N-3:C-3:O-1:	C-4:C-3:C-3:	C[6a]-3:N[6a]-3:C-3:	C(NC[6a]N[6a])(CCC)(O)	C(CH3)(CHH)(CNO)	N(C[6a]C[6a]2)(N[6a]C[6a]2)(CCO)	C(NC[6a]N[6a])(CCC)(O)	C(CH3)(CHH)(CNO)	N(C[6a]C[6a]2)(N[6a]C[6a]2)(CCO)	118.1310	0.000	1	118.1310	0.000	1	118.1310	0.000	1	117.7110	11.794	18	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	3:3:3:	N-3:C-3:O-1:	C-4:C-3:C-3:	N[5]-3:C-3:C-3:	C(NN[5]C)(CCC)(O)	C(CH3)(CHH)(CNO)	N(N[5]C[5]2)(CCO)2	C(NN[5]C)(CCC)(O)	C(CH3)(CHH)(CNO)	N(N[5]C[5]2)(CCO)2	116.2475	0.557	8	116.2475	0.311	8	116.2475	0.311	8	117.7110	11.794	18	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	3:4:3:	C-3:N-3:O-1:	C-4:C-3:C-3:	C-3:C-4:C-3:	C(CCC)(NCC)(O)	C(CH3)(CHH)(CNO)	N(CC[6a]C)(CCHH)(CCO)	C(CCC)(NCC)(O)	C(CH3)(CHH)(CNO)	N(CC[6a]C)(CCHH)(CCO)	119.9810	0.000	1	119.9810	0.000	1	119.9810	0.000	1	120.1479	0.664	10	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	3:4:3:	N-3:C-3:O-1:	C-4:C-3:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCC)(O)	C(CH3)(CCH)(CNO)	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CCC)(O)	C(CH3)(CCH)(CNO)	N(C[6a]C[6a]2)(CCCH)(CCO)	119.3510	0.000	1	119.3510	0.000	1	119.8805	0.807	6	120.1479	0.664	10	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	3:4:3:	N-3:C-3:O-1:	C-4:C-3:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCC)(O)	C(CH3)(CCH)(CNO)	N(C[6a]C[6a]2)(CH3)(CCO)	C(NC[6a]C)(CCC)(O)	C(CH3)(CCH)(CNO)	N(C[6a]C[6a]2)(CH3)(CCO)	119.6567	0.249	3	119.6567	0.062	3	119.8805	0.807	6	120.1479	0.664	10	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	3:4:3:	N-3:C-3:O-1:	C-4:C-3:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCC)(O)	C(CH3)(CHH)(CNO)	N(C[6a]C[6a]2)(CCCH)(CCO)	C(NC[6a]C)(CCC)(O)	C(CH3)(CHH)(CNO)	N(C[6a]C[6a]2)(CCCH)(CCO)	121.6560	0.000	1	121.6560	0.000	1	119.8805	0.807	6	120.1479	0.664	10	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	3:4:3:	N-3:C-3:O-1:	C-4:C-3:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCC)(O)	C(CH3)(CHH)(CNO)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CCC)(O)	C(CH3)(CHH)(CNO)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	119.3060	0.000	1	119.3060	0.000	1	119.8805	0.807	6	120.1479	0.664	10	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	3:4:3:	N-3:C-3:O-1:	C-4:C-3:C-3:	C[6a]-3:C[5]-4:C-3:	C(NC[6a]C[5])(CCC)(O)	C(CH3)(CHH)(CNO)	N(C[6a]C[6a]2)(C[5]C[5]2H)(CCO)	C(NC[6a]C[5])(CCC)(O)	C(CH3)(CHH)(CNO)	N(C[6a]C[6a]2)(C[5]C[5]2H)(CCO)	120.1980	0.000	1	120.1980	0.000	1	120.1980	0.000	1	120.1479	0.664	10	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	3:4:3:	N-3:C-3:O-1:	C-4:C-3:C-3:	C[6a]-3:C[6]-4:C-3:	C(NC[6a]C[6])(CCC)(O)	C(CH3)(CHH)(CNO)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	C(NC[6a]C[6])(CCC)(O)	C(CH3)(CHH)(CNO)	N(C[6a]C[6a]2)(C[6]C[6]2H)(CCO)	121.0085	0.009	2	121.0085	0.000	2	121.0085	0.000	2	120.1479	0.664	10	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	4:3:1:	C-3:N-3:H-1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C(CCC)(NCH)(H)	C(CC[5]CH)(CHN)(COO)	N(CCHH)(CCH)(H)	C(CCC)(NCH)(H)	C(CC[5]CH)(CHN)(COO)	N(CCHH)(CCH)(H)	128.4320	0.000	1	128.4320	0.000	1	128.4320	0.000	1	118.7272	17.341	15	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	4:3:1:	C-3:N-3:H-1:	C[6]-4:C-3:N-3:	C-4:C-3:H-1:	C(CC[6]N)(NCH)(H)	C(C[6]C[6]2H)(CHN)(NOO)	N(CCHH)(CCH)(H)	C(CC[6]N)(NCH)(H)	C(C[6]C[6]2H)(CHN)(NOO)	N(CCHH)(CCH)(H)	129.2170	0.000	1	129.2170	0.000	1	129.2170	0.000	1	118.7272	17.341	15	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	4:3:1:	C-3:N-3:O-1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C(CCC)(NCH)(O)	C(CH3)(CHH)(CNO)	N(CCCH)(CCO)(H)	C(CCC)(NCH)(O)	C(CH3)(CHH)(CNO)	N(CCCH)(CCO)(H)	117.7990	0.000	1	117.7990	0.000	1	117.1894	0.844	9	118.7272	17.341	15	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	4:3:1:	C-3:N-3:O-1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C(CCC)(NCH)(O)	C(CH3)(CHH)(CNO)	N(CCHH)(CCO)(H)	C(CCC)(NCH)(O)	C(CH3)(CHH)(CNO)	N(CCHH)(CCO)(H)	116.7463	0.921	4	116.7463	0.848	4	117.1894	0.844	9	118.7272	17.341	15	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	4:3:1:	C-3:N-3:O-1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C(CCC)(NCH)(O)	C(CH3)(CHN)(CNO)	N(CC3)(CCO)(H)	C(CCC)(NCH)(O)	C(CH3)(CHN)(CNO)	N(CC3)(CCO)(H)	117.4802	0.951	4	117.4802	0.904	4	117.1894	0.844	9	118.7272	17.341	15	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	4:3:1:	C-3:N-3:O-1:	S-4:C-3:C-3:	C-4:C-3:H-1:	C(CCS)(NCH)(O)	C(SC[6a]OO)(CN[6]H)(CNO)	N(CH3)(CCO)(H)	C(CCS)(NCH)(O)	C(SC[6a]OO)(CN[6]H)(CNO)	N(CH3)(CCO)(H)	117.1900	0.000	1	117.1900	0.000	1	117.1900	0.000	1	118.7272	17.341	15	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	4:3:1:	N-3:C-3:O-1:	C-4:C-3:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(CCC)(O)	C(CH3)(CCH)(CNO)	N(C[5]C[5]N[5]H)(CCO)(H)	C(NC[5]H)(CCC)(O)	C(CH3)(CCH)(CNO)	N(C[5]C[5]N[5]H)(CCO)(H)	117.5120	0.000	1	117.5120	0.000	1	117.5120	0.000	1	118.7272	17.341	15	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	4:3:1:	N-3:C-3:O-1:	C-4:C-3:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCC)(O)	C(CH3)(CHH)(CNO)	N(C[6]C[6]2H)(CCO)(H)	C(NC[6]H)(CCC)(O)	C(CH3)(CHH)(CNO)	N(C[6]C[6]2H)(CCO)(H)	116.9260	0.437	2	116.9260	0.191	2	116.9260	0.191	2	118.7272	17.341	15	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	4:3:3:	C-3:N-3:H-1:	B[5,5]-4:C[6a]-3:C-3:	C-4:C-3:C-3:	C(CB[5,5]C[6a])(NCC)(H)	C(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]2)(CHN)	N(CC[6a]HH)(CC[6a]O)(CCH)	C(CB[5,5]C[6a])(NCC)(H)	C(B[5,5]N[5,5]O[5]2)(C[6a]C[6a]2)(CHN)	N(CC[6a]HH)(CC[6a]O)(CCH)	125.7750	0.000	1	125.7750	0.000	1	125.7750	0.000	1	127.4505	5.615	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	4:3:3:	C-3:N-3:H-1:	C-4:C-3:C-3:	C-4:C-3:C-3:	C(CCC)(NCC)(H)	C(CC3)(CCH)(CHN)	N(CCCH)(CCH)(CCO)	C(CCC)(NCC)(H)	C(CC3)(CCH)(CHN)	N(CCCH)(CCH)(CCO)	129.1260	0.000	1	129.1260	0.000	1	129.1260	0.000	1	127.4505	5.615	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	4:4:3:	C-3:N-3:O-1:	C-4:C-3:C-3:	C-4:C-4:C-3:	C(CCC)(NCC)(O)	C(CH3)(CCH)(CNO)	N(CCCH)(CH3)(CCO)	C(CCC)(NCC)(O)	C(CH3)(CCH)(CNO)	N(CCCH)(CH3)(CCO)	120.9080	0.000	1	120.9080	0.000	1	119.3593	1.799	3	119.3593	1.799	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:1:	4:3:3:	4:4:3:	C-3:N-3:O-1:	C-4:C-3:C-3:	C-4:C-4:C-3:	C(CCC)(NCC)(O)	C(CH3)(CCH)(CNO)	N(CCCH)2(CCO)	C(CCC)(NCC)(O)	C(CH3)(CCH)(CNO)	N(CCCH)2(CCO)	118.5850	0.000	2	118.5850	0.000	2	119.3593	1.799	3	119.3593	1.799	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:1:1:	3:3:3:	N-3:C-3:C-2:	C-3:H-1:H-1:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CHH)(CC)	C(CCN)(H)2	N(C[6a]C[6a]2)(CCC)(COO)	C(NC[6a]C)(CHH)(CC)	C(CCN)(H)2	N(C[6a]C[6a]2)(CCC)(COO)	122.2430	0.000	1	122.2430	0.000	1	122.2430	0.000	1	122.2430	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:1:1:	C-3:N-3:N-2:	C-3:N-2:S-1:	C-3:H-1:H-1:	C(CNS)(NHH)(NN)	C(CNN)(NN)(S)	N(CCN)(H)2	C(CNS)(NHH)(NN)	C(CNN)(NN)(S)	N(CCN)(H)2	119.7900	0.000	1	119.7900	0.000	1	119.7900	0.000	1	119.9630	0.060	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:1:1:	C-3:N-3:O-2:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(COO)(NHH)(OCo)	C(CNO)(OCo)(O)	N(CCO)(H)2	C(COO)(NHH)(OCo)	C(CNO)(OCo)(O)	N(CCO)(H)2	120.1360	0.000	1	120.1360	0.000	1	120.1360	0.000	1	119.9630	0.060	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	3:3:1:	N-3:C-3:N-2:	C-3:N-2:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHN)(NO)	C(CNN)(NO)(H)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(CHN)(NO)	C(CNN)(NO)(H)	N(C[6a]C[6a]2)(CCN)(H)	120.0080	0.000	1	120.0080	0.000	1	120.0080	0.000	1	120.0080	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	4:3:1:	C-3:N-3:N-2:	C-3:N-2:H-1:	C-4:C-3:H-1:	C(CHN)(NCH)(NO)	C(CNN)(NO)(H)	N(CC[6a]HH)(CCN)(H)	C(CHN)(NCH)(NO)	C(CNN)(NO)(H)	N(CC[6a]HH)(CCN)(H)	124.9320	0.000	1	124.9320	0.000	1	124.9320	0.000	1	124.9320	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:1:	4:4:3:	C-3:N-3:C-2:	C-3:C-2:H-1:	C-4:C-4:C-3:	C(CCH)(NCC)(CC)	C(CCN)(CN)(H)	N(CCCH)2(CCC)	C(CCH)(NCC)(CC)	C(CCN)(CN)(H)	N(CCCH)2(CCC)	126.1660	0.000	1	126.1660	0.000	1	126.1660	0.000	1	126.1660	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:2:	3:1:1:	C-3:N-3:C-2:	C-3:C-2:C-2:	C-3:H-1:H-1:	C(CCC)(NHH)(CN)	C(CCN)(CN)2	N(CCC)(H)2	C(CCC)(NHH)(CN)	C(CCN)(CN)2	N(CCC)(H)2	127.0600	0.000	1	127.0600	0.000	1	127.0600	0.000	1	124.0503	0.797	24	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:2:	3:1:1:	C-3:N-3:C-2:	C-3:C-2:N-2:	C-3:H-1:H-1:	C(CCN)(NHH)(CN)	C(CCN)(CN)(NC)	N(CCC)(H)2	C(CCN)(NHH)(CN)	C(CCN)(CN)(NC)	N(CCC)(H)2	123.9194	0.635	23	123.9194	0.404	23	123.9194	0.404	23	124.0503	0.797	24	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:2:2:	3:3:1:	C-3:N-3:C-2:	C-3:C-2:N-2:	C-3:C-3:H-1:	C(CCN)(NCH)(CN)	C(CCN)(CN)(NC)	N(CCC)(CCO)(H)	C(CCN)(NCH)(CN)	C(CCN)(CN)(NC)	N(CCC)(CCO)(H)	122.5390	0.000	1	122.5390	0.000	1	122.5390	0.000	1	122.5390	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:1:1:	C-3:N-3:C-2:	C-3:N-3:O-1:	C-3:O-1:O-1:	C(CNO)(NOO)(CN)	C(CCN)(NHH)(O)	N(CCC)(O)2	C(CNO)(NOO)(CN)	C(CCN)(NHH)(O)	N(CCC)(O)2	126.3500	0.000	1	126.3500	0.000	1	126.3500	0.000	1	118.5179	12.932	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:1:1:	C-3:N-3:C-2:	C[6a]-3:C-3:H-1:	C-3:O-1:O-1:	C(CC[6a]H)(NOO)(CN)	C(C[6a]C[6a]2)(CCN)(H)	N(CCC)(O)2	C(CC[6a]H)(NOO)(CN)	C(C[6a]C[6a]2)(CCN)(H)	N(CCC)(O)2	118.7640	0.000	1	118.7640	0.000	1	118.7640	0.000	1	118.5179	12.932	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:1:1:	C-3:N-3:N-2:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CCH)(NHH)(NO)	C(CCH)(CNN)(H)	N(CCN)(H)2	C(CCH)(NHH)(NO)	C(CCH)(CNN)(H)	N(CCN)(H)2	120.6230	0.560	2	120.6230	0.314	2	120.6230	0.314	2	118.5179	12.932	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:1:1:	C-3:N-3:O-2:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CCH)(NHH)(OMn)	C(CHH)(CNO)(H)	N(CCO)(H)2	C(CCH)(NHH)(OMn)	C(CHH)(CNO)(H)	N(CCO)(H)2	116.4980	0.494	3	116.4980	0.244	3	116.3773	0.221	4	118.5179	12.932	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:1:1:	C-3:N-3:O-2:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CCH)(NHH)(ONi)	C(CHH)(CNO)(H)	N(CCO)(H)2	C(CCH)(NHH)(ONi)	C(CHH)(CNO)(H)	N(CCO)(H)2	116.0150	0.000	1	116.0150	0.000	1	116.3773	0.221	4	118.5179	12.932	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:1:1:	C-3:N-3:S-2:	C-3:N-3:S-1:	C-3:H-1:H-1:	C(CNS)(NHH)(SAg)	C(CNS)(NHH)(S)	N(CCS)(H)2	C(CNS)(NHH)(SAg)	C(CNS)(NHH)(S)	N(CCS)(H)2	114.7920	0.000	1	114.7920	0.000	1	114.7920	0.000	1	118.5179	12.932	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:1:	C-3:N-3:N-2:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[6a]O)(NC[6a]H)(NC[6a])	C(C[6a]C[6a]2)(CNN)(O)	N(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]O)(NC[6a]H)(NC[6a])	C(C[6a]C[6a]2)(CNN)(O)	N(C[6a]C[6a]2)(CCN)(H)	110.9810	0.000	1	110.9810	0.000	1	120.3868	10.526	12	118.5637	15.333	18	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:1:	C-3:N-3:N-2:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[6a]O)(NC[6a]H)(NO)	C(C[6a]C[6a]2)(CNN)(O)	N(C[6a]C[6a,6a]C[6a])(CCN)(H)	C(CC[6a]O)(NC[6a]H)(NO)	C(C[6a]C[6a]2)(CNN)(O)	N(C[6a]C[6a,6a]C[6a])(CCN)(H)	121.0500	0.000	1	121.0500	0.000	1	120.3868	10.526	12	118.5637	15.333	18	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:1:	C-3:N-3:N-2:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[6a]O)(NC[6a]H)(NO)	C(C[6a]C[6a]2)(CNN)(O)	N(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]O)(NC[6a]H)(NO)	C(C[6a]C[6a]2)(CNN)(O)	N(C[6a]C[6a]2)(CCN)(H)	121.2610	1.462	10	121.2610	2.137	10	120.3868	10.526	12	118.5637	15.333	18	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:1:	C-3:N-3:O-2:	C-3:N-3:O-1:	N-3:C-3:H-1:	C(CNO)(NHN)(OFe)	C(CNO)(NHH)(O)	N(NFeC)(CCO)(H)	C(CNO)(NHN)(OFe)	C(CNO)(NHH)(O)	N(NFeC)(CCO)(H)	115.7575	1.951	2	115.7575	3.806	2	115.7575	3.806	2	118.5637	15.333	18	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:1:	N-3:C-3:O-2:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C(NC[5]H)(CCH)(OCd)	C(CC[6a]H)(CNO)(H)	N(C[5]N[5]2)(CCO)(H)	C(NC[5]H)(CCH)(OCd)	C(CC[6a]H)(CNO)(H)	N(C[5]N[5]2)(CCO)(H)	114.7820	3.028	3	114.7820	9.166	3	114.7820	9.166	3	118.5637	15.333	18	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:3:1:	N-3:C-3:O-2:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CCH)(OMn)	C(CC[6a]H)(CNO)(H)	N(C[5a]N[5a]2)(CCO)(H)	C(NC[5a]H)(CCH)(OMn)	C(CC[6a]H)(CNO)(H)	N(C[5a]N[5a]2)(CCO)(H)	113.6440	0.000	1	113.6440	0.000	1	113.6440	0.000	1	118.5637	15.333	18	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	3:4:3:	C-3:N-3:N-2:	C[6a]-3:C-3:H-1:	C[6a]-3:S-4:C-3:	C(CC[6a]H)(NC[6a]S)(NC)	C(C[6a]C[6a]2)(CNN)(H)	N(C[6a]C[6a]2)(SCOO)(CCN)	C(CC[6a]H)(NC[6a]S)(NC)	C(C[6a]C[6a]2)(CNN)(H)	N(C[6a]C[6a]2)(SCOO)(CCN)	121.8460	0.000	1	121.8460	0.000	1	121.8460	0.000	1	121.8460	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	4:3:1:	C-3:N-3:N-2:	C-3:N-3:O-1:	C-4:C-3:H-1:	C(CNO)(NCH)(NS)	C(CNN)(NCH)(O)	N(CC3)(CCN)(H)	C(CNO)(NCH)(NS)	C(CNN)(NCH)(O)	N(CC3)(CCN)(H)	113.2170	1.006	2	113.2170	1.011	2	113.2170	1.011	2	117.4264	23.006	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	4:3:1:	C-3:N-3:S-2:	C-3:N-3:H-1:	C-4:C-3:H-1:	C(CHN)(NCH)(SC)	C(CNS)(NOO)(H)	N(CH3)(CCS)(H)	C(CHN)(NCH)(SC)	C(CNS)(NOO)(H)	N(CH3)(CCS)(H)	124.6480	0.000	1	124.6480	0.000	1	124.6480	0.000	1	117.4264	23.006	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	4:3:1:	N-3:C-3:O-2:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCH)(OH)	C(CHH)(CNO)(H)	N(C[6]C[6,6a]2H)(CCO)(H)	C(NC[6]H)(CCH)(OH)	C(CHH)(CNO)(H)	N(C[6]C[6,6a]2H)(CCO)(H)	118.0250	1.645	2	118.0250	2.705	2	118.0250	2.705	2	117.4264	23.006	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	4:3:2:	C-3:N-3:O-2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C(CCH)(NCO)(OFe)	C(CCC)(CNO)(H)	N(CCHH)(CCO)(OFe)	C(CCH)(NCO)(OFe)	C(CCC)(CNO)(H)	N(CCHH)(CCO)(OFe)	119.5927	1.041	3	119.5927	1.084	3	119.5927	1.084	3	119.5927	1.084	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	4:4:3:	C-3:N-3:C-2:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)(NCC)(CN)	C(CC[6a]C)(CCN)(H)	N(CCHH)2(CCC)	C(CCH)(NCC)(CN)	C(CC[6a]C)(CCN)(H)	N(CCHH)2(CCC)	123.9390	0.000	1	123.9390	0.000	1	123.9390	0.000	1	119.3906	12.809	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	4:4:3:	C-3:N-3:C-2:	C[5a]-3:C-3:H-1:	C-4:S-4:C-3:	C(CC[5a]H)(NCS)(CC)	C(C[5a]C[5a]S[5a])(CCN)(H)	N(CC[6a]HH)(SC[6a]OO)(CCC)	C(CC[5a]H)(NCS)(CC)	C(C[5a]C[5a]S[5a])(CCN)(H)	N(CC[6a]HH)(SC[6a]OO)(CCC)	118.5650	0.000	1	118.5650	0.000	1	118.5650	0.000	1	119.3906	12.809	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	4:4:3:	C-3:N-3:N-2:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)(NCC)(NS)	C(CC[5]H)(CNN)(H)	N(CC[6a]HH)2(CCN)	C(CCH)(NCC)(NS)	C(CC[5]H)(CNN)(H)	N(CC[6a]HH)2(CCN)	119.9360	0.000	1	119.9360	0.000	1	118.0860	1.641	5	119.3906	12.809	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	4:4:3:	C-3:N-3:N-2:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)(NCC)(NS)	C(CC[6a]C)(CNN)(H)	N(CC[6a]HH)2(CCN)	C(CCH)(NCC)(NS)	C(CC[6a]C)(CNN)(H)	N(CC[6a]HH)2(CCN)	118.4140	0.000	1	118.4140	0.000	1	118.0860	1.641	5	119.3906	12.809	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	4:4:3:	C-3:N-3:N-2:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)(NCC)(NS)	C(CC[6a]H)(CNN)(H)	N(CCHH)2(CCN)	C(CCH)(NCC)(NS)	C(CC[6a]H)(CNN)(H)	N(CCHH)2(CCN)	116.4190	0.000	1	116.4190	0.000	1	118.0860	1.641	5	119.3906	12.809	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	4:4:3:	C-3:N-3:N-2:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)(NCC)(NS)	C(CHH)(CNN)(H)	N(CCHH)2(CCN)	C(CCH)(NCC)(NS)	C(CHH)(CNN)(H)	N(CCHH)2(CCN)	118.0800	0.000	1	118.0800	0.000	1	118.0860	1.641	5	119.3906	12.809	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	4:4:3:	C-3:N-3:N-2:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)(NCC)(NS)	C(CHH)(CNN)(H)	N(CC[6a]HH)2(CCN)	C(CCH)(NCC)(NS)	C(CHH)(CNN)(H)	N(CC[6a]HH)2(CCN)	117.5810	0.000	1	117.5810	0.000	1	118.0860	1.641	5	119.3906	12.809	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	4:4:3:	C-3:N-3:N-2:	C[6a]-3:C-3:O-1:	C-4:C-4:C-3:	C(CC[6a]O)(NCC)(NS)	C(C[6a]C[6a]2)(CNN)(O)	N(CH3)2(CCN)	C(CC[6a]O)(NCC)(NS)	C(C[6a]C[6a]2)(CNN)(O)	N(CH3)2(CCN)	116.2435	0.711	2	116.2435	0.505	2	116.2435	0.505	2	119.3906	12.809	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	4:4:3:	C-3:N-3:O-2:	C[6a]-3:C-3:H-1:	C-4:S-4:C-3:	C(CC[6a]H)(NCS)(OC)	C(C[6a]C[6a]2)(CNO)(H)	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(CC[6a]H)(NCS)(OC)	C(C[6a]C[6a]2)(CNO)(H)	N(CC[6a]HH)(SC[6a]OO)(CCO)	125.8130	0.000	1	125.8130	0.000	1	125.8130	0.000	1	119.3906	12.809	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	4:4:3:	C-3:N-3:O-2:	C[6a]-3:C-3:H-1:	S-4:C-4:C-3:	C(CC[6a]H)(NCS)(OC)	C(C[6a]C[6a]2)(CNO)(H)	N(SC[6a]OO)(CH3)(CCO)	C(CC[6a]H)(NCS)(OC)	C(C[6a]C[6a]2)(CNO)(H)	N(SC[6a]OO)(CH3)(CCO)	125.1610	0.000	1	125.1610	0.000	1	125.1610	0.000	1	119.3906	12.809	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:1:	4:4:3:	C-3:N-3:S-2:	C-3:N-3:S-1:	C-4:C-4:C-3:	C(CNS)(NCC)(SI)	C(CNS)(NCC)(S)	N(CCHH)(CH3)(CCS)	C(CNS)(NCC)(SI)	C(CNS)(NCC)(S)	N(CCHH)(CH3)(CCS)	116.2920	0.000	1	116.2920	0.000	1	116.2920	0.000	1	119.3906	12.809	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	3:1:1:	C-3:N-3:C-2:	C-3:N-3:C-2:	C-3:H-1:H-1:	C(CCN)(NHH)(CN)	C(CCN)(NCH)(CN)	N(CCC)(H)2	C(CCN)(NHH)(CN)	C(CCN)(NCH)(CN)	N(CCC)(H)2	125.3300	0.000	1	125.3300	0.000	1	125.3300	0.000	1	120.4973	10.108	6	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	3:1:1:	C-3:N-3:C-2:	C-3:N-3:N-2:	C-3:O-1:O-1:	C(CNN)(NOO)(CN)	C(CCN)(NCC)(NC)	N(CCC)(O)2	C(CNN)(NOO)(CN)	C(CCN)(NCC)(NC)	N(CCC)(O)2	123.6970	0.000	1	123.6970	0.000	1	123.6970	0.000	1	120.4973	10.108	6	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	3:1:1:	C-3:N-3:N-2:	C-3:N-3:N-2:	C-3:H-1:H-1:	C(CNN)(NHH)(NO)	C(CNN)(NHH)(NO)	N(CCN)(H)2	C(CNN)(NHH)(NO)	C(CNN)(NHH)(NO)	N(CCN)(H)2	118.3477	0.536	3	118.3477	0.288	3	118.3477	0.288	3	120.4973	10.108	6	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	3:1:1:	C-3:N-3:O-2:	C[6]-3:C-3:C-2:	C-3:H-1:H-1:	C(CC[6]C)(NHH)(OZn)	C(C[6]N[6]2)(CNO)(CN)	N(CCO)(H)2	C(CC[6]C)(NHH)(OZn)	C(C[6]N[6]2)(CNO)(CN)	N(CCO)(H)2	118.9140	0.000	1	118.9140	0.000	1	118.9140	0.000	1	120.4973	10.108	6	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	3:3:1:	C-3:N-3:C-2:	C-3:N-3:C-2:	C-3:C-3:H-1:	C(CCN)(NCH)(CN)	C(CCN)(NCH)(CN)	N(CC[6a]O)(CCC)(H)	C(CCN)(NCH)(CN)	C(CCN)(NCH)(CN)	N(CC[6a]O)(CCC)(H)	122.5210	0.000	1	122.5210	0.000	1	121.6380	1.559	2	121.7321	0.985	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	3:3:1:	C-3:N-3:C-2:	C-3:N-3:C-2:	C-3:C-3:H-1:	C(CCN)(NCH)(CN)	C(CCN)(NHH)(CN)	N(CCC)(CCO)(H)	C(CCN)(NCH)(CN)	C(CCN)(NHH)(CN)	N(CCC)(CCO)(H)	120.7550	0.000	1	120.7550	0.000	1	121.6380	1.559	2	121.7321	0.985	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	3:3:1:	N-3:C-3:O-2:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(OH)	C(CNO)2(CN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCC)(OH)	C(CNO)2(CN)	N(C[6a]C[6a]2)(CCO)(H)	121.9990	1.101	3	121.9990	1.213	3	121.9990	1.213	3	121.7321	0.985	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	3:3:1:	N-3:C-3:S-2:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(SC)	C(CC[6a]O)(CNS)(CN)	N(C[6a]C[6a]2)(CCS)(H)	C(NC[6a]H)(CCC)(SC)	C(CC[6a]O)(CNS)(CN)	N(C[6a]C[6a]2)(CCS)(H)	120.5580	0.000	1	120.5580	0.000	1	121.4260	1.507	2	121.7321	0.985	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	3:3:1:	N-3:C-3:S-2:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(SH)	C(CNS)(COO)(CN)	N(C[6a]C[6a]2)(CCS)(H)	C(NC[6a]H)(CCC)(SH)	C(CNS)(COO)(CN)	N(C[6a]C[6a]2)(CCS)(H)	122.2940	0.000	1	122.2940	0.000	1	121.4260	1.507	2	121.7321	0.985	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	4:3:1:	C-3:N-3:N-2:	C[6a]-3:C-3:N-2:	C-4:C-3:H-1:	C(CC[6a]N)(NCH)(NO)	C(C[6a]C[6a]2)(CNN)(NO)	N(CC3)(CCN)(H)	C(CC[6a]N)(NCH)(NO)	C(C[6a]C[6a]2)(CNN)(NO)	N(CC3)(CCN)(H)	123.4810	0.000	1	123.4810	0.000	1	123.4810	0.000	1	122.6162	2.518	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	4:3:1:	C-3:N-3:O-2:	C-3:C-3:C-2:	C-4:C-3:H-1:	C(CCC)(NCH)(OH)	C(CNO)(CNS)(CN)	N(CH3)(CCO)(H)	C(CCC)(NCH)(OH)	C(CNO)(CNS)(CN)	N(CH3)(CCO)(H)	121.9393	0.096	3	121.9393	0.009	3	122.7480	1.024	7	122.6162	2.518	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	4:3:1:	C-3:N-3:O-2:	C-3:C-3:C-2:	C-4:C-3:H-1:	C(CCC)(NCH)(OH)	C(CNO)2(CN)	N(CCCH)(CCO)(H)	C(CCC)(NCH)(OH)	C(CNO)2(CN)	N(CCCH)(CCO)(H)	123.5845	1.566	2	123.5845	2.453	2	122.7480	1.024	7	122.6162	2.518	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	4:3:1:	C-3:N-3:O-2:	C-3:C-3:C-2:	C-4:C-3:H-1:	C(CCC)(NCH)(OH)	C(CNO)2(CN)	N(CH3)(CCO)(H)	C(CCC)(NCH)(OH)	C(CNO)2(CN)	N(CH3)(CCO)(H)	123.1245	0.168	2	123.1245	0.028	2	122.7480	1.024	7	122.6162	2.518	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	4:3:1:	C-3:N-3:S-2:	C-3:C-3:C-2:	C-4:C-3:H-1:	C(CCC)(NCH)(SC)	C(CNO)(CNS)(CN)	N(CC[6a]HH)(CCS)(H)	C(CCC)(NCH)(SC)	C(CNO)(CNS)(CN)	N(CC[6a]HH)(CCS)(H)	121.3370	0.000	1	121.3370	0.000	1	121.3370	0.000	1	122.6162	2.518	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	4:3:1:	C-3:N-3:S-2:	C-3:C-3:C-2:	S-4:C-3:H-1:	C(CCC)(NHS)(SC)	C(CNO)(CNS)(CN)	N(SC[6a]OO)(CCS)(H)	C(CCC)(NHS)(SC)	C(CNO)(CNS)(CN)	N(SC[6a]OO)(CCS)(H)	119.9370	0.000	1	119.9370	0.000	1	119.9370	0.000	1	122.6162	2.518	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	4:3:1:	N-3:C-3:C-2:	N-3:C-3:C-2:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCN)(CN)	C(NC[6]H)(CCN)(CN)	N(C[6]C[6]2C)(CCC)(H)	C(NC[6]H)(CCN)(CN)	C(NC[6]H)(CCN)(CN)	N(C[6]C[6]2C)(CCC)(H)	125.8830	0.000	1	125.8830	0.000	1	123.7015	9.518	2	122.6162	2.518	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	4:3:1:	N-3:C-3:C-2:	N-3:C-3:C-2:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCN)(CN)	C(NC[6]H)(CCN)(CN)	N(C[6]C[6]3)(CCC)(H)	C(NC[6]H)(CCN)(CN)	C(NC[6]H)(CCN)(CN)	N(C[6]C[6]3)(CCC)(H)	121.5200	0.000	1	121.5200	0.000	1	123.7015	9.518	2	122.6162	2.518	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	4:4:3:	C-3:N-3:N-2:	C-3:N-3:C-2:	C-4:C-4:C-3:	C(CCN)(NCC)(NC)	C(CNN)(NOO)(CN)	N(CH3)2(CCN)	C(CCN)(NCC)(NC)	C(CNN)(NOO)(CN)	N(CH3)2(CCN)	122.0280	0.000	1	122.0280	0.000	1	122.0280	0.000	1	124.1458	10.660	26	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	4:4:3:	C-3:N-3:N-2:	C[6a]-3:C-3:N-2:	C-4:C-4:C-3:	C(CC[6a]N)(NCC)(NS)	C(C[6a]C[6a]2)(CNN)(NN)	N(CH3)2(CCN)	C(CC[6a]N)(NCC)(NS)	C(C[6a]C[6a]2)(CNN)(NN)	N(CH3)2(CCN)	117.7180	0.000	1	117.7180	0.000	1	117.7180	0.000	1	124.1458	10.660	26	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	4:4:3:	C-3:N-3:O-2:	C-3:C-3:C-2:	C-4:C-4:C-3:	C(CCC)(NCC)(OH)	C(CNO)2(CN)	N(CH3)2(CCO)	C(CCC)(NCC)(OH)	C(CNO)2(CN)	N(CH3)2(CCO)	126.5399	0.568	14	126.5399	0.323	14	126.5399	0.323	14	124.1458	10.660	26	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	4:4:3:	C-3:N-3:O-2:	N-3:C-3:C-2:	C-4:C-4:C-3:	C(CCN)(NCC)(OPt)	C(NPtO)(CNO)(CN)	N(CCHH)2(CCO)	C(CCN)(NCC)(OPt)	C(NPtO)(CNO)(CN)	N(CCHH)2(CCO)	124.8305	0.571	4	124.8305	0.327	4	124.8305	0.327	4	124.1458	10.660	26	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:2:	4:4:3:	C-3:N-3:S-2:	C-3:N-3:S-2:	C-4:C-4:C-3:	C(CNS)(NCC)(SPt)	C(CNS)(NCC)(SPt)	N(CCHH)2(CCS)	C(CNS)(NCC)(SPt)	C(CNS)(NCC)(SPt)	N(CCHH)2(CCS)	119.5273	1.042	6	119.5273	1.085	6	119.5273	1.085	6	124.1458	10.660	26	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:3:	3:1:1:	C-3:N-3:C-2:	C[6a]-3:N-3:C-3:	C-3:O-1:O-1:	C(CC[6a]N)(NOO)(CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCN)	N(CCC)(O)2	C(CC[6a]N)(NOO)(CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCN)	N(CCC)(O)2	123.3010	0.000	1	123.3010	0.000	1	123.3010	0.000	1	123.3010	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:3:	3:3:1:	C-3:N-3:S-2:	N[5a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(CN[5a]C)(NC[6a]H)(SC)	C(N[5a]C[5a]N[5a])(CC[6a]O)(CNS)	N(C[6a]C[6a]2)(CCS)(H)	C(CN[5a]C)(NC[6a]H)(SC)	C(N[5a]C[5a]N[5a])(CC[6a]O)(CNS)	N(C[6a]C[6a]2)(CCS)(H)	120.1740	0.000	1	120.1740	0.000	1	120.1740	0.000	1	117.9942	10.694	6	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:3:	3:3:1:	N-3:C-3:N-2:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(NS)	C(CC[6a]N)(CNN)(CNO)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(CCC)(NS)	C(CC[6a]N)(CNN)(CNO)	N(C[6a]C[6a]2)(CCN)(H)	117.5582	3.456	5	117.5582	11.942	5	117.5582	11.942	5	117.9942	10.694	6	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:3:	3:4:3:	C-3:N-3:O-2:	C[6a]-3:C-3:C-3:	C[6a]-3:B-4:C-3:	C(CC[6a]C)(NC[6a]B)(OB)	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	N(C[6a]C[6a]2)(BC[6a]CO)(CCO)	C(CC[6a]C)(NC[6a]B)(OB)	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	N(C[6a]C[6a]2)(BC[6a]CO)(CCO)	126.4440	0.066	2	126.4440	0.004	2	126.4440	0.004	2	126.4440	0.004	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:3:	4:3:1:	C-3:N-3:N-2:	C-3:C-3:C-3:	C-4:C-3:H-1:	C(CCC)(NCH)(NS)	C(CC[6a]H)(CNN)(COO)	N(CC3)(CCN)(H)	C(CCC)(NCH)(NS)	C(CC[6a]H)(CNN)(COO)	N(CC3)(CCN)(H)	113.7480	0.000	1	113.7480	0.000	1	113.7480	0.000	1	113.7480	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:3:	4:4:3:	C-3:N-3:N-2:	C-3:C-3:C-3:	C-4:C-4:C-3:	C(CCC)(NCC)(NS)	C(CC[6a]H)(CNN)(COO)	N(CCCH)2(CCN)	C(CCC)(NCC)(NS)	C(CC[6a]H)(CNN)(COO)	N(CCCH)2(CCN)	119.5910	0.000	1	119.5910	0.000	1	119.5910	0.000	1	117.8753	2.241	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:3:	4:4:3:	C-3:N-3:N-2:	C[6]-3:C-3:C-3:	C-4:C-4:C-3:	C(CC[6]C)(NCC)(NS)	C(C[6]C[6]2)(CHO)(CNN)	N(CH3)2(CCN)	C(CC[6]C)(NCC)(NS)	C(C[6]C[6]2)(CHO)(CNN)	N(CH3)2(CCN)	117.1990	0.000	1	117.1990	0.000	1	117.1990	0.000	1	117.8753	2.241	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:3:3:	4:4:3:	C-3:N-3:N-2:	C[6a]-3:C-3:C-3:	C-4:C-4:C-3:	C(CC[6a]C)(NCC)(NS)	C(C[6a]C[6a]2)(CHO)(CNN)	N(CH3)2(CCN)	C(CC[6a]C)(NCC)(NS)	C(C[6a]C[6a]2)(CHO)(CNN)	N(CH3)2(CCN)	116.8360	0.000	1	116.8360	0.000	1	116.8360	0.000	1	117.8753	2.241	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:4:3:	3:3:1:	C-3:N-3:N-2:	C[6a]-3:P-4:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]P)(NC[6a]H)(NS)	C(C[6a]C[6a]2)(PC[6a]3)(CNN)	N(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]P)(NC[6a]H)(NS)	C(C[6a]C[6a]2)(PC[6a]3)(CNN)	N(C[6a]C[6a]2)(CCN)(H)	121.3080	1.457	2	121.3080	2.122	2	121.3080	2.122	2	121.3080	2.122	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:4:3:	3:3:3:	C-3:N-3:N-2:	C[6a]-3:P-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]P)(NC[6a]C)(NS)	C(C[6a]C[6a]2)(PC[6a]3)(CNN)	N(C[6a]C[6a]2)(CCN)2	C(CC[6a]P)(NC[6a]C)(NS)	C(C[6a]C[6a]2)(PC[6a]3)(CNN)	N(C[6a]C[6a]2)(CCN)2	118.0800	0.000	1	118.0800	0.000	1	118.0800	0.000	1	118.0800	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	3:4:3:	4:3:1:	C-3:N-3:O-2:	C-3:C-4:C-3:	C-4:C-3:H-1:	C(CCC)(NCH)(OIr)	C(CIrH)(CH3)(CNO)	N(CC3)(CCO)(H)	C(CCC)(NCH)(OIr)	C(CIrH)(CH3)(CNO)	N(CC3)(CCO)(H)	119.5590	0.000	1	119.5590	0.000	1	119.5590	0.000	1	119.5590	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:1:	3:3:1:	C-3:N-3:S-2:	C-4:C-3:H-1:	N-3:C-3:H-1:	C(CCH)(NHN)(SRu)	C(CCHH)(CNS)(H)	N(NRuN)(CCS)(H)	C(CCH)(NHN)(SRu)	C(CCHH)(CNS)(H)	N(NRuN)(CCS)(H)	116.5810	1.112	2	116.5810	1.236	2	116.5810	1.236	2	116.5810	1.236	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:1:	4:4:3:	C-3:N-3:C-2:	C[3]-4:C-3:H-1:	C-4:S-4:C-3:	C(CC[3]H)(NCS)(CC)	C(C[3]C[3]2H)(CCN)(H)	N(CC[6a]HH)(SC[6a]OO)(CCC)	C(CC[3]H)(NCS)(CC)	C(C[3]C[3]2H)(CCN)(H)	N(CC[6a]HH)(SC[6a]OO)(CCC)	120.2160	0.000	1	120.2160	0.000	1	120.2160	0.000	1	120.2160	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:2:	3:1:1:	C-3:N-3:N-2:	C-4:C-3:N-2:	C-3:H-1:H-1:	C(CCN)(NHH)(NO)	C(CCHH)(CNN)(NO)	N(CCN)(H)2	C(CCN)(NHH)(NO)	C(CCHH)(CNN)(NO)	N(CCN)(H)2	118.3080	0.000	1	118.3080	0.000	1	118.3080	0.000	1	118.3080	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:2:	3:3:1:	C-3:N-3:O-2:	C-4:C-3:N-2:	N-3:C-3:H-1:	C(CCN)(NHN)(OFe)	C(CH3)(CNO)(NO)	N(NFeC)(CCO)(H)	C(CCN)(NHN)(OFe)	C(CH3)(CNO)(NO)	N(NFeC)(CCO)(H)	119.3825	0.896	2	119.3825	0.803	2	119.3825	0.803	2	121.8772	3.436	11	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:2:	3:3:1:	N-3:C-3:N-2:	C-4:C-3:N-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCN)(NO)	C(CH3)(CNN)(NO)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(CCN)(NO)	C(CH3)(CNN)(NO)	N(C[6a]C[6a]2)(CCN)(H)	119.3250	0.000	1	119.3250	0.000	1	119.3250	0.000	1	121.8772	3.436	11	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:2:	3:3:1:	N-3:C-3:S-2:	S-4:C-3:C-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCS)(SC)	C(SC[6a]OO)(CNS)(CN)	N(C[6a]C[6a]2)(CCS)(H)	C(NC[6a]H)(CCS)(SC)	C(SC[6a]OO)(CNS)(CN)	N(C[6a]C[6a]2)(CCS)(H)	122.8199	1.035	8	122.8199	1.070	8	122.8199	1.070	8	121.8772	3.436	11	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:2:	4:3:1:	C-3:N-3:S-2:	S-4:C-3:C-2:	C-4:C-3:H-1:	C(CCS)(NCH)(SC)	C(SC[6a]OO)(CNS)(CN)	N(CCHH)(CCS)(H)	C(CCS)(NCH)(SC)	C(SC[6a]OO)(CNS)(CN)	N(CCHH)(CCS)(H)	123.3970	0.769	2	123.3970	0.592	2	123.4567	0.307	3	123.4567	0.307	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:2:	4:3:1:	C-3:N-3:S-2:	S-4:C-3:C-2:	C-4:C-3:H-1:	C(CCS)(NCH)(SC)	C(SC[6a]OO)(CNS)(CN)	N(CH3)(CCS)(H)	C(CCS)(NCH)(SC)	C(SC[6a]OO)(CNS)(CN)	N(CH3)(CCS)(H)	123.5760	0.000	1	123.5760	0.000	1	123.4567	0.307	3	123.4567	0.307	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:3:	3:3:1:	N-3:C-3:O-2:	P-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCP)(OH)	C(PO3)(CNO)(COO)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCP)(OH)	C(PO3)(CNO)(COO)	N(C[6a]C[6a]2)(CCO)(H)	123.5670	0.000	1	123.5670	0.000	1	123.5670	0.000	1	123.5670	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:3:3:	4:3:1:	C-3:N-3:O-2:	P-4:C-3:C-3:	C-4:C-3:H-1:	C(CCP)(NCH)(OH)	C(PO3)(CNO)(COO)	N(CCCH)(CCO)(H)	C(CCP)(NCH)(OH)	C(PO3)(CNO)(COO)	N(CCCH)(CCO)(H)	123.1820	0.000	1	123.1820	0.000	1	123.1820	0.000	1	123.1820	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:4:3:	4:4:3:	C-3:N-3:O-2:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(CCC)(NCC)(OZr)	C(CH3)2(CNO)	N(CH3)2(CCO)	C(CCC)(NCC)(OZr)	C(CH3)2(CNO)	N(CH3)2(CCO)	122.1580	0.000	1	122.1580	0.000	1	122.1580	0.000	1	125.3327	8.087	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:2:	4:4:3:	4:4:3:	C-3:N-3:O-2:	P-4:Ga-4:C-3:	C-4:C-4:C-3:	C(CGaP)(NCC)(OC)	C(PC[6a]3)(GaCl3)(CNO)	N(CH3)2(CCO)	C(CGaP)(NCC)(OC)	C(PC[6a]3)(GaCl3)(CNO)	N(CH3)2(CCO)	126.9200	1.028	2	126.9200	1.057	2	126.9200	1.057	2	125.3327	8.087	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	2:2:3:	3:1:1:	C-3:C-3:N-3:	S-2:S-2:C-3:	C-3:O-1:O-1:	C(CClC)(CSS)(NOO)	C(SC[6a])2(CCN)	N(CCC)(O)2	C(CClC)(CSS)(NOO)	C(SC[6a])2(CCN)	N(CCC)(O)2	121.8410	0.000	1	121.8410	0.000	1	121.8410	0.000	1	121.8410	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	2:3:1:	3:1:1:	C-3:C-3:N-3:	N-2:C-3:H-1:	C-3:O-1:O-1:	C(CHN)2(NOO)	C(NC[6])(CCN)(H)	N(CCC)(O)2	C(CHN)2(NOO)	C(NC[6])(CCN)(H)	N(CCC)(O)2	118.0600	0.000	1	118.0600	0.000	1	118.4687	0.135	3	118.9838	1.151	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	2:3:1:	3:1:1:	C-3:C-3:N-3:	N-2:C-3:H-1:	C-3:O-1:O-1:	C(CHN)2(NOO)	C(NC[6a])(CCN)(H)	N(CCC)(O)2	C(CHN)2(NOO)	C(NC[6a])(CCN)(H)	N(CCC)(O)2	118.6730	0.140	2	118.6730	0.020	2	118.4687	0.135	3	118.9838	1.151	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	2:3:1:	3:1:1:	C-3:C-3:N-3:	S-2:C-3:Cl-1:	C-3:O-1:O-1:	C(CClC)(CClS)(NOO)	C(SC[6a])(CCN)(Cl)	N(CCC)(O)2	C(CClC)(CClS)(NOO)	C(SC[6a])(CCN)(Cl)	N(CCC)(O)2	120.5290	0.000	1	120.5290	0.000	1	120.5290	0.000	1	118.9838	1.151	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	2:3:3:	3:1:1:	C-3:C-3:N-3:	S-2:C-3:C-3:	C-3:O-1:O-1:	C(CCS)(CSS)(NOO)	C(SC[6a])(CCl2)(CCN)	N(CCC)(O)2	C(CCS)(CSS)(NOO)	C(SC[6a])(CCl2)(CCN)	N(CCC)(O)2	112.8690	0.000	1	112.8690	0.000	1	112.8690	0.000	1	112.8690	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	2:3:3:	4:4:3:	C-3:C-3:N-3:	S-2:C-3:C-3:	C-4:S-4:C-3:	C(CCS)(COO)(NCS)	C(SC[6a])(CCN)(COO)	N(CC[6a]CH)(SC[6a]OO)(CCC)	C(CCS)(COO)(NCS)	C(SC[6a])(CCN)(COO)	N(CC[6a]CH)(SC[6a]OO)(CCC)	123.3120	0.000	1	123.3120	0.000	1	123.3120	0.000	1	123.3120	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	2:4:3:	3:3:1:	N-3:C-3:C-3:	N-2:C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCH)(CCN)	C(NC[6a])(CH3)(CCN)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCH)(CCN)	C(NC[6a])(CH3)(CCN)	N(C[6a]C[6a]2)(CCC)(H)	113.2960	0.000	1	113.2960	0.000	1	113.2960	0.000	1	113.2960	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:1:1:	3:1:1:	C-3:C-3:N-3:	C-3:H-1:O-1:	C-3:O-1:O-1:	C(CCH)(CHO)(NOO)	C(CCN)(H)(O)	N(CCC)(O)2	C(CCH)(CHO)(NOO)	C(CCN)(H)(O)	N(CCC)(O)2	117.5900	0.000	1	117.5900	0.000	1	117.5900	0.000	1	118.5075	1.684	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:1:1:	3:1:1:	C-3:N-3:N-3:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(CHH)(NHH)2	C(CNN)(H)2	N(CCN)(H)2	C(CHH)(NHH)2	C(CNN)(H)2	N(CCN)(H)2	119.4250	0.000	1	119.4250	0.000	1	119.4250	0.000	1	118.5075	1.684	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:1:1:	3:3:1:	C-3:C-3:N-3:	C-3:Br-1:H-1:	C-3:C-3:H-1:	C(CBrH)(COO)(NCH)	C(CCN)(Br)(H)	N(CCC)(CCO)(H)	C(CBrH)(COO)(NCH)	C(CCN)(Br)(H)	N(CCC)(CCO)(H)	124.2420	0.000	1	124.2420	0.000	1	124.2420	0.000	1	122.2566	21.477	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:1:1:	3:3:1:	C-3:C-3:N-3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C(CHH)(CNO)(NCH)	C(CCN)(H)2	N(CCC)(CCO)(H)	C(CHH)(CNO)(NCH)	C(CCN)(H)2	N(CCC)(CCO)(H)	125.9370	0.000	1	125.9370	0.000	1	126.3995	0.428	2	122.2566	21.477	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:1:1:	3:3:1:	C-3:C-3:N-3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C(CHH)(COO)(NCH)	C(CCN)(H)2	N(CCC)(CCO)(H)	C(CHH)(COO)(NCH)	C(CCN)(H)2	N(CCC)(CCO)(H)	126.8620	0.000	1	126.8620	0.000	1	126.3995	0.428	2	122.2566	21.477	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:1:1:	3:3:1:	C-3:C-3:N-3:	C-3:H-1:O-1:	C-3:C-3:H-1:	C(CHO)2(NCH)	C(CCN)(H)(O)	N(CCC)(CCO)(H)	C(CHO)2(NCH)	C(CCN)(H)(O)	N(CCC)(CCO)(H)	115.0540	0.000	1	115.0540	0.000	1	115.0540	0.000	1	122.2566	21.477	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:1:1:	3:3:1:	C-3:C-3:N-3:	C-3:O-1:O-1:	C-3:C-3:H-1:	C(CC[6a]H)(COO)(NCH)	C(CCN)(O)2	N(CCC)(CCO)(H)	C(CC[6a]H)(COO)(NCH)	C(CCN)(O)2	N(CCC)(CCO)(H)	114.3170	0.000	1	114.3170	0.000	1	114.3170	0.000	1	122.2566	21.477	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:1:1:	3:3:1:	C[6a]-3:C-3:N-3:	C-3:F-1:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CFH)(NCH)	C(CC[6a]N)(F)(H)	N(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CFH)(NCH)	C(CC[6a]N)(F)(H)	N(CC[6a]C)2(H)	121.7320	0.016	2	121.7320	0.000	2	121.7320	0.000	2	122.2566	21.477	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:1:1:	3:3:1:	C[6a]-3:C-3:N-3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]C[6a])(CHH)(NCH)	C(CC[6a]N)(H)2	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a,6a]C[6a])(CHH)(NCH)	C(CC[6a]N)(H)2	N(CC[6a]C)(CCO)(H)	125.4720	0.000	1	125.4720	0.000	1	125.4720	0.000	1	122.2566	21.477	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:1:1:	3:3:1:	C[6a]-3:N-3:C-3:	C-3:H-1:H-1:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(CHH)	C(CC[6a]N)(H)2	N(C[5a]C[5a]N[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[5a]H)(CHH)	C(CC[6a]N)(H)2	N(C[5a]C[5a]N[5a])(CC[6a]C)(H)	124.9610	0.000	1	124.9610	0.000	1	124.9610	0.000	1	122.2566	21.477	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:1:1:	3:3:2:	C[6a]-3:N-3:C-3:	C-3:Br-1:H-1:	C[6a]-3:C-3:C-2:	C(C[6a]C[6a]2)(NC[6a]C)(CBrH)	C(CC[6a]N)(Br)(H)	N(C[6a]C[6a]2)(CC[6a]C)(CN)	C(C[6a]C[6a]2)(NC[6a]C)(CBrH)	C(CC[6a]N)(Br)(H)	N(C[6a]C[6a]2)(CC[6a]C)(CN)	121.6970	0.000	1	121.6970	0.000	1	121.6970	0.000	1	121.6970	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:1:1:	3:3:3:	C-3:C-3:N-3:	C-3:H-1:H-1:	C-3:C-3:C-3:	C(CHH)(COO)(NCC)	C(CCN)(H)2	N(CCC)(COO)2	C(CHH)(COO)(NCC)	C(CCN)(H)2	N(CCC)(COO)2	120.9920	0.000	1	120.9920	0.000	1	120.9920	0.000	1	121.2927	1.191	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:1:1:	3:3:3:	C[5a]-3:N-3:C-3:	C-3:H-1:H-1:	C[6a]-3:C-3:C-3:	C(C[5a]C[5a]2)(NC[6a]C)(CHH)	C(CC[5a]N)(H)2	N(C[6a]C[6a]2)(CC[5a]C)(CCN)	C(C[5a]C[5a]2)(NC[6a]C)(CHH)	C(CC[5a]N)(H)2	N(C[6a]C[6a]2)(CC[5a]C)(CCN)	119.2510	0.000	1	119.2510	0.000	1	120.2025	1.811	2	121.2927	1.191	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:1:1:	3:3:3:	C[5a]-3:N-3:C-3:	C-3:H-1:H-1:	C[6a]-3:C-3:C-3:	C(C[5a]C[5a]O[5a])(NC[6a]C)(CHH)	C(CC[5a]N)(H)2	N(C[6a]C[6a]2)(CC[5a]C)(COO)	C(C[5a]C[5a]O[5a])(NC[6a]C)(CHH)	C(CC[5a]N)(H)2	N(C[6a]C[6a]2)(CC[5a]C)(COO)	121.1540	0.000	1	121.1540	0.000	1	120.2025	1.811	2	121.2927	1.191	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:1:1:	3:3:3:	C[6a]-3:N-3:C-3:	C-3:H-1:H-1:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(CHH)	C(CC[6a]N)(H)2	N(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(NC[6a]C)(CHH)	C(CC[6a]N)(H)2	N(C[6a]C[6a]2)(CC[6a]C)2	121.9275	1.094	4	121.9275	1.197	4	121.9275	1.197	4	121.2927	1.191	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:1:1:	3:3:3:	N-3:N-3:C-3:	C-3:H-1:H-1:	C[6a]-3:C-3:C-3:	C(NC[6a]Al)(NC[6a]C)(CHH)	C(CNN)(H)2	N(C[6a]C[6a]2)(CCN)2	C(NC[6a]Al)(NC[6a]C)(CHH)	C(CNN)(H)2	N(C[6a]C[6a]2)(CCN)2	121.4150	0.000	1	121.4150	0.000	1	121.4150	0.000	1	121.2927	1.191	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:1:1:	3:3:3:	N[6]-3:N-3:C-3:	C-3:I-1:I-1:	C[6a]-3:C-3:C-3:	C(N[6]C[6]2)(NC[6a]C)(CII)	C(CN[6]N)(I)2	N(C[6a]C[6a]2)(CN[6]C)(COO)	C(N[6]C[6]2)(NC[6a]C)(CII)	C(CN[6]N)(I)2	N(C[6a]C[6a]2)(CN[6]C)(COO)	121.1120	0.000	1	121.1120	0.000	1	121.1120	0.000	1	121.2927	1.191	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:1:1:	3:4:3:	C[6a]-3:C-3:N-3:	C-3:H-1:H-1:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CHH)(NCC)	C(CC[6a]N)(H)2	N(CC[6a]C)(CCHH)(CCO)	C(C[6a]C[6a]2)(CHH)(NCC)	C(CC[6a]N)(H)2	N(CC[6a]C)(CCHH)(CCO)	120.1980	0.000	1	120.1980	0.000	1	120.1980	0.000	1	120.1980	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:1:1:	4:3:1:	C-3:C-3:N-3:	C-3:H-1:H-1:	S-4:C-3:H-1:	C(CHH)(COO)(NHS)	C(CCN)(H)2	N(SC[6a]OO)(CCC)(H)	C(CHH)(COO)(NHS)	C(CCN)(H)2	N(SC[6a]OO)(CCC)(H)	126.4150	0.000	1	126.4150	0.000	1	126.4150	0.000	1	126.4150	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:1:1:	4:4:3:	C-3:C-3:N-3:	C-3:H-1:O-1:	S-4:S-4:C-3:	C(CC[6a]C)(CHO)(NSS)	C(CCN)(H)(O)	N(SC[6a]OO)2(CCC)	C(CC[6a]C)(CHO)(NSS)	C(CCN)(H)(O)	N(SC[6a]OO)2(CCC)	115.6690	0.000	1	115.6690	0.000	1	115.6690	0.000	1	118.0236	1.815	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:1:1:	4:4:3:	C-3:N-3:N-3:	C-3:S-1:S-1:	C-4:C-4:C-3:	C(CSS)(NCC)2	C(CNN)(S)2	N(CCHH)2(CCN)	C(CSS)(NCC)2	C(CNN)(S)2	N(CCHH)2(CCN)	118.6123	0.332	4	118.6123	0.110	4	118.6123	0.110	4	118.0236	1.815	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:1:1:	C-3:C-3:N-3:	C-3:O-2:O-1:	C-3:O-1:O-1:	C(CN[6]C)(COO)(NOO)	C(CCN)(OC)(O)	N(CCC)(O)2	C(CN[6]C)(COO)(NOO)	C(CCN)(OC)(O)	N(CCC)(O)2	114.4110	0.000	1	114.4110	0.000	1	114.4110	0.000	1	118.4126	19.092	8	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:1:1:	C-3:N-3:N-3:	C-3:N-2:H-1:	C-3:O-1:O-1:	C(CHN)(NOO)2	C(CNN)(NO)(H)	N(CCN)(O)2	C(CHN)(NOO)2	C(CNN)(NO)(H)	N(CCN)(O)2	120.0598	3.654	6	120.0598	13.352	6	120.0598	13.352	6	118.4126	19.092	8	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:1:1:	C[5]-3:C-3:N-3:	C-3:O-2:O-1:	C-3:O-1:O-1:	C(C[5]C[5,6a]C[5])(COO)(NOO)	C(CC[5]N)(OC)(O)	N(CC[5]C)(O)2	C(C[5]C[5,6a]C[5])(COO)(NOO)	C(CC[5]N)(OC)(O)	N(CC[5]C)(O)2	112.5310	0.000	1	112.5310	0.000	1	112.5310	0.000	1	118.4126	19.092	8	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:2:1:	C-3:C-3:N-3:	C-3:O-2:O-1:	C-3:N-2:O-1:	C(CCO)(COO)(NNO)	C(CCN)(OC)(O)	N(CCC)(NO)(O)	C(CCO)(COO)(NNO)	C(CCN)(OC)(O)	N(CCC)(NO)(O)	117.2870	0.000	1	117.2870	0.000	1	117.2870	0.000	1	117.2870	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:3:1:	C-3:C-3:N-3:	C-3:N-2:O-1:	C-3:C-3:H-1:	C(CC[5a]H)(CNO)(NCH)	C(CCN)(NN)(O)	N(CC[6a]O)(CCC)(H)	C(CC[5a]H)(CNO)(NCH)	C(CCN)(NN)(O)	N(CC[6a]O)(CCC)(H)	118.1780	0.000	1	118.1780	0.000	1	118.1780	0.000	1	116.4066	17.710	33	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:3:1:	C-3:C-3:N-3:	C-3:O-2:H-1:	C-3:C-3:H-1:	C(CHO)2(NCH)	C(CCN)(OH)(H)	N(CCC)(CCO)(H)	C(CHO)2(NCH)	C(CCN)(OH)(H)	N(CCC)(CCO)(H)	129.3210	0.000	1	129.3210	0.000	1	129.3210	0.000	1	116.4066	17.710	33	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:3:1:	C-3:C-3:N-3:	C-3:O-2:O-1:	C-3:C-3:H-1:	C(CBrH)(COO)(NCH)	C(CCN)(OC)(O)	N(CCC)(CCO)(H)	C(CBrH)(COO)(NCH)	C(CCN)(OC)(O)	N(CCC)(CCO)(H)	116.9490	0.000	1	116.9490	0.000	1	114.0044	5.126	17	116.4066	17.710	33	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:3:1:	C-3:C-3:N-3:	C-3:O-2:O-1:	C-3:C-3:H-1:	C(CCC)(COO)(NCH)	C(CCN)(OC)(O)	N(CC[6a]O)(CCC)(H)	C(CCC)(COO)(NCH)	C(CCN)(OC)(O)	N(CC[6a]O)(CCC)(H)	109.1090	0.000	1	109.1090	0.000	1	114.0044	5.126	17	116.4066	17.710	33	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:3:1:	C-3:C-3:N-3:	C-3:O-2:O-1:	C-3:C-3:H-1:	C(CCH)(COO)(NCH)	C(CCN)(OC)(O)	N(CCC)(CCO)(H)	C(CCH)(COO)(NCH)	C(CCN)(OC)(O)	N(CCC)(CCO)(H)	115.6130	0.000	1	115.6130	0.000	1	114.0044	5.126	17	116.4066	17.710	33	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:3:1:	C-3:C-3:N-3:	C-3:O-2:O-1:	C-3:C-3:H-1:	C(CCH)(COO)(NCH)	C(CCN)(OC)(O)	N(CCC)(CHO)(H)	C(CCH)(COO)(NCH)	C(CCN)(OC)(O)	N(CCC)(CHO)(H)	112.9530	0.000	1	112.9530	0.000	1	114.0044	5.126	17	116.4066	17.710	33	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:3:1:	C-3:C-3:N-3:	C-3:O-2:O-1:	C-3:C-3:H-1:	C(CC[5]H)(COO)(NCH)	C(CCN)(OC)(O)	N(CC[6a]O)(CCC)(H)	C(CC[5]H)(COO)(NCH)	C(CCN)(OC)(O)	N(CC[6a]O)(CCC)(H)	116.9820	0.000	1	116.9820	0.000	1	114.0044	5.126	17	116.4066	17.710	33	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:3:1:	C-3:C-3:N-3:	C-3:O-2:O-1:	C-3:C-3:H-1:	C(CC[5a]H)(COO)(NCH)	C(CCN)(OC)(O)	N(CCC)(COO)(H)	C(CC[5a]H)(COO)(NCH)	C(CCN)(OC)(O)	N(CCC)(COO)(H)	114.6790	0.000	1	114.6790	0.000	1	114.0044	5.126	17	116.4066	17.710	33	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:3:1:	C-3:C-3:N-3:	C-3:O-2:O-1:	C-3:C-3:H-1:	C(CC[5a]H)(COO)(NCH)	C(CCN)(OC)(O)	N(CC[6a]O)(CCC)(H)	C(CC[5a]H)(COO)(NCH)	C(CCN)(OC)(O)	N(CC[6a]O)(CCC)(H)	115.2130	0.000	1	115.2130	0.000	1	114.0044	5.126	17	116.4066	17.710	33	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:3:1:	C-3:C-3:N-3:	C-3:O-2:O-1:	C-3:C-3:H-1:	C(CC[6a]Br)(COO)(NCH)	C(CCN)(OC)(O)	N(CCC)(COO)(H)	C(CC[6a]Br)(COO)(NCH)	C(CCN)(OC)(O)	N(CCC)(COO)(H)	114.7760	0.000	1	114.7760	0.000	1	114.0044	5.126	17	116.4066	17.710	33	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:3:1:	C-3:C-3:N-3:	C-3:O-2:O-1:	C-3:C-3:H-1:	C(CC[6a]C)(COO)(NCH)	C(CCN)(OC)(O)	N(CC[6a]O)(CCC)(H)	C(CC[6a]C)(COO)(NCH)	C(CCN)(OC)(O)	N(CC[6a]O)(CCC)(H)	112.8473	2.191	3	112.8473	4.800	3	114.0044	5.126	17	116.4066	17.710	33	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:3:1:	C-3:C-3:N-3:	C-3:O-2:O-1:	C-3:C-3:H-1:	C(CC[6a]D)(COO)(NCH)	C(CCN)(OH)(O)	N(CC[6a]O)(CCC)(H)	C(CC[6a]D)(COO)(NCH)	C(CCN)(OH)(O)	N(CC[6a]O)(CCC)(H)	114.4140	0.000	1	114.4140	0.000	1	114.0044	5.126	17	116.4066	17.710	33	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:3:1:	C-3:C-3:N-3:	C-3:O-2:O-1:	C-3:C-3:H-1:	C(CC[6a]H)(COO)(NCH)	C(CCN)(OH)(O)	N(CCC)(CCO)(H)	C(CC[6a]H)(COO)(NCH)	C(CCN)(OH)(O)	N(CCC)(CCO)(H)	115.4150	0.018	2	115.4150	0.000	2	114.0044	5.126	17	116.4066	17.710	33	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:3:1:	C-3:C-3:N-3:	C-3:O-2:O-1:	C-3:C-3:H-1:	C(CC[6a]H)(COO)(NCH)	C(CCN)(OH)(O)	N(CC[6a]O)(CCC)(H)	C(CC[6a]H)(COO)(NCH)	C(CCN)(OH)(O)	N(CC[6a]O)(CCC)(H)	114.2340	0.000	1	114.2340	0.000	1	114.0044	5.126	17	116.4066	17.710	33	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:3:1:	C-3:C-3:N-3:	C-3:O-2:O-1:	C-3:C-3:H-1:	C(CC[6a]O)(COO)(NCH)	C(CCN)(OC)(O)	N(CCC)(CCO)(H)	C(CC[6a]O)(COO)(NCH)	C(CCN)(OC)(O)	N(CCC)(CCO)(H)	113.8340	0.000	1	113.8340	0.000	1	114.0044	5.126	17	116.4066	17.710	33	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:3:1:	C-3:C-3:N-3:	C-3:O-2:O-1:	C-3:C-3:H-1:	C(CHH)(COO)(NCH)	C(CCN)(OC)(O)	N(CCC)(CCO)(H)	C(CHH)(COO)(NCH)	C(CCN)(OC)(O)	N(CCC)(CCO)(H)	109.9460	0.000	1	109.9460	0.000	1	114.0044	5.126	17	116.4066	17.710	33	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:3:1:	C-3:C-3:N-3:	C-3:O-2:O-1:	C-3:C-3:O-1:	C(CC[6a]H)(COO)(NCO)	C(CCN)(OC)(O)	N(CC[6a]H)(CCC)(O)	C(CC[6a]H)(COO)(NCO)	C(CCN)(OC)(O)	N(CC[6a]H)(CCC)(O)	115.5800	0.000	1	115.5800	0.000	1	115.5800	0.000	1	116.4066	17.710	33	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:3:1:	C-3:N-3:C-3:	C-3:O-2:O-1:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(NC[6a]H)(COO)	C(CCN)(OC)(O)	N(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(NC[6a]H)(COO)	C(CCN)(OC)(O)	N(C[6a]C[6a]2)(CCC)(H)	116.5885	1.060	2	116.5885	1.124	2	116.5885	1.124	2	116.4066	17.710	33	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:3:1:	C-3:N-3:C-3:	C-3:O-2:O-1:	C[6a]-3:C-3:O-1:	C(CC[5a]N)(NC[6a]O)(COO)	C(CCN)(OC)(O)	N(C[6a]C[6a]2)(CCC)(O)	C(CC[5a]N)(NC[6a]O)(COO)	C(CCN)(OC)(O)	N(C[6a]C[6a]2)(CCC)(O)	121.9830	0.000	1	121.9830	0.000	1	121.9830	0.000	1	116.4066	17.710	33	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:3:1:	C[5]-3:C-3:N-3:	C-3:O-2:O-1:	C-3:C-3:H-1:	C(C[5]C[5,6a]C[5])(COO)(NCH)	C(CC[5]N)(OC)(O)	N(CC[5]C)(COO)(H)	C(C[5]C[5,6a]C[5])(COO)(NCH)	C(CC[5]N)(OC)(O)	N(CC[5]C)(COO)(H)	118.0290	0.000	1	118.0290	0.000	1	118.0290	0.000	1	116.4066	17.710	33	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:C-3:N-3:	C-3:C-2:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NCH)	C(CC[6a]N)(CC)(H)	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C(CC[6a]N)(CC)(H)	N(CC[6a]C)(CCO)(H)	119.1005	0.391	2	119.1005	0.153	2	119.1005	0.153	2	116.4066	17.710	33	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:3:1:	C[6a]-3:N-3:C-3:	C-3:O-2:O-1:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(NC[6a]O)(COO)	C(CC[6a]N)(OC)(O)	N(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(NC[6a]O)(COO)	C(CC[6a]N)(OC)(O)	N(C[6a]C[6a]2)(CC[6a]C)(O)	117.6905	3.458	2	117.6905	11.961	2	117.6905	11.961	2	116.4066	17.710	33	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:3:1:	N-3:C-3:C-3:	C-3:O-2:O-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCH)(COO)	C(CCN)(OC)(O)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCH)(COO)	C(CCN)(OC)(O)	N(C[6a]C[6a]2)(CCC)(H)	115.6870	5.330	3	115.6870	28.406	3	115.6870	28.406	3	116.4066	17.710	33	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:3:1:	N-3:C-3:C-3:	C-3:O-2:O-1:	C[6a]-3:C-3:O-1:	C(NC[6a]O)(CCN)(COO)	C(CCN)(OC)(O)	N(C[6a]C[6a]2)(CCC)(O)	C(NC[6a]O)(CCN)(COO)	C(CCN)(OC)(O)	N(C[6a]C[6a]2)(CCC)(O)	123.2160	0.216	2	123.2160	0.047	2	123.2160	0.047	2	116.4066	17.710	33	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:3:2:	C-3:C-3:N-3:	C-3:O-2:O-1:	C-3:C-3:N-2:	C(CCS)(COO)(NCN)	C(CCN)(OC)(O)	N(CCC)(CCO)(NC)	C(CCS)(COO)(NCN)	C(CCN)(OC)(O)	N(CCC)(CCO)(NC)	114.3995	0.518	2	114.3995	0.269	2	114.3995	0.269	2	114.3995	0.269	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:3:3:	C-3:C-3:N-3:	C-3:O-2:O-1:	C-3:C-3:C-3:	C(CHH)(COO)(NCC)	C(CCN)(OC)(O)	N(CCC)(COO)2	C(CHH)(COO)(NCC)	C(CCN)(OC)(O)	N(CCC)(COO)2	117.8950	0.000	1	117.8950	0.000	1	117.8950	0.000	1	116.2322	8.639	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:3:3:	C-3:C-3:N-3:	C-3:O-2:O-1:	C-3:N-3:C-3:	C(CCH)(COO)(NCN)	C(CCN)(OC)(O)	N(CC[6a]O)(NC[6a]C)(CCC)	C(CCH)(COO)(NCN)	C(CCN)(OC)(O)	N(CC[6a]O)(NC[6a]C)(CCC)	113.5855	0.322	2	113.5855	0.104	2	113.5855	0.104	2	116.2322	8.639	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:3:3:	C[6a]-3:N-3:C-3:	C-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]2)(CCH)	C(CC[6a]N)(CC)(H)	N(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a]2)(CCH)	C(CC[6a]N)(CC)(H)	N(C[6a]C[6a]2)2(CC[6a]C)	120.4020	0.000	1	120.4020	0.000	1	120.4020	0.000	1	116.2322	8.639	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:3:3:	N-3:C-3:C-3:	C-3:O-2:O-1:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CCH)(COO)	C(CCN)(OC)(O)	N(C[6a]C[6a]2)(CCC)(CCO)	C(NC[6a]C)(CCH)(COO)	C(CCN)(OC)(O)	N(C[6a]C[6a]2)(CCC)(CCO)	115.6930	0.000	1	115.6930	0.000	1	115.6930	0.000	1	116.2322	8.639	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:3:4:	C[6a]-3:N-3:C-3:	C-3:C-2:H-1:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	C(CC[6a]N)(CC)(H)	N(C[6a]C[6a]2)(CC[6a]C)(CCCH)	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	C(CC[6a]N)(CC)(H)	N(C[6a]C[6a]2)(CC[6a]C)(CCCH)	123.4910	0.000	1	123.4910	0.000	1	122.2845	2.911	2	122.2845	2.911	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:3:4:	C[6a]-3:N-3:C-3:	C-3:C-2:H-1:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	C(CC[6a]N)(CC)(H)	N(C[6a]C[6a]2)(CC[6a]C)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	C(CC[6a]N)(CC)(H)	N(C[6a]C[6a]2)(CC[6a]C)(CH3)	121.0780	0.000	1	121.0780	0.000	1	122.2845	2.911	2	122.2845	2.911	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	3:4:3:	N-3:C-3:C-3:	C-3:O-2:O-1:	C[6a]-3:P-4:C-3:	C(NC[6a]P)(CCC)(COO)	C(CCN)(OC)(O)	N(C[6a]C[6a]2)(PFeOO)(CCC)	C(NC[6a]P)(CCC)(COO)	C(CCN)(OC)(O)	N(C[6a]C[6a]2)(PFeOO)(CCC)	114.6270	0.000	1	114.6270	0.000	1	114.6270	0.000	1	114.6270	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	4:3:1:	C-3:C-3:N-3:	C-3:O-2:O-1:	C-4:C-3:H-1:	C(CCC)(COO)(NCH)	C(CCN)(OC)(O)	N(CCHH)(CCC)(H)	C(CCC)(COO)(NCH)	C(CCN)(OC)(O)	N(CCHH)(CCC)(H)	114.6080	0.000	1	114.6080	0.000	1	115.4370	26.755	3	114.1952	17.150	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	4:3:1:	C-3:C-3:N-3:	C-3:O-2:O-1:	C-4:C-3:H-1:	C(CCH)(COO)(NCH)	C(CCN)(OC)(O)	N(CC[6a]CH)(CCC)(H)	C(CCH)(COO)(NCH)	C(CCN)(OC)(O)	N(CC[6a]CH)(CCC)(H)	110.7290	0.000	1	110.7290	0.000	1	115.4370	26.755	3	114.1952	17.150	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	4:3:1:	C-3:C-3:N-3:	C-3:O-2:O-1:	C-4:C-3:H-1:	C(CC[6a]H)(COO)(NCH)	C(CCN)(OC)(O)	N(CC3)(CCC)(H)	C(CC[6a]H)(COO)(NCH)	C(CCN)(OC)(O)	N(CC3)(CCC)(H)	120.9740	0.000	1	120.9740	0.000	1	115.4370	26.755	3	114.1952	17.150	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	4:3:1:	C-3:C-3:N-3:	C-3:O-2:O-1:	S-4:C-3:H-1:	C(CCH)(COO)(NHS)	C(CCN)(OC)(O)	N(SC[6a]OO)(CCC)(H)	C(CCH)(COO)(NHS)	C(CCN)(OC)(O)	N(SC[6a]OO)(CCC)(H)	113.6600	0.000	1	113.6600	0.000	1	112.3325	3.525	2	114.1952	17.150	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	4:3:1:	C-3:C-3:N-3:	C-3:O-2:O-1:	S-4:C-3:H-1:	C(CHH)(COO)(NHS)	C(CCN)(OC)(O)	N(SC[6a]OO)(CCC)(H)	C(CHH)(COO)(NHS)	C(CCN)(OC)(O)	N(SC[6a]OO)(CCC)(H)	111.0050	0.000	1	111.0050	0.000	1	112.3325	3.525	2	114.1952	17.150	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	4:3:2:	C-3:C-3:N-3:	C-3:O-2:O-1:	C-4:C-3:O-2:	C(CCH)(COO)(NCO)	C(CCN)(OC)(O)	N(CH3)(CCC)(OC)	C(CCH)(COO)(NCO)	C(CCN)(OC)(O)	N(CH3)(CCC)(OC)	112.5500	0.000	1	112.5500	0.000	1	112.5500	0.000	1	112.5500	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	4:3:3:	C[6a]-3:C-3:N-3:	C-3:S-2:H-1:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CHS)(NCC)	C(CC[6a]N)(SC)(H)	N(CC[6a]HH)(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CHS)(NCC)	C(CC[6a]N)(SC)(H)	N(CC[6a]HH)(CC[6a]C)(CCO)	119.5410	0.000	1	119.5410	0.000	1	119.5410	0.000	1	119.5410	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	4:4:3:	C-3:C-3:N-3:	C-3:N-2:H-1:	C-4:C-4:C-3:	C(CCN)(CHN)(NCC)	C(CCN)(NN)(H)	N(CH3)2(CCC)	C(CCN)(CHN)(NCC)	C(CCN)(NN)(H)	N(CH3)2(CCC)	122.4970	0.000	1	122.4970	0.000	1	122.4970	0.000	1	117.8248	5.442	10	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	4:4:3:	C-3:C-3:N-3:	C-3:O-2:O-1:	C-4:S-4:C-3:	C(CCH)(COO)(NCS)	C(CCN)(OC)(O)	N(CC[6a]HH)(SC[6a]OO)(CCC)	C(CCH)(COO)(NCS)	C(CCN)(OC)(O)	N(CC[6a]HH)(SC[6a]OO)(CCC)	119.1730	0.000	1	119.1730	0.000	1	117.2967	11.429	3	117.8248	5.442	10	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	4:4:3:	C-3:C-3:N-3:	C-3:O-2:O-1:	C-4:S-4:C-3:	C(CCN)(COO)(NCS)	C(CCN)(OC)(O)	N(CC[6a]HH)(SC[6a]OO)(CCC)	C(CCN)(COO)(NCS)	C(CCN)(OC)(O)	N(CC[6a]HH)(SC[6a]OO)(CCC)	119.3230	0.000	1	119.3230	0.000	1	117.2967	11.429	3	117.8248	5.442	10	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	4:4:3:	C-3:C-3:N-3:	C-3:O-2:O-1:	C-4:S-4:C-3:	C(CCS)(COO)(NCS)	C(CCN)(OC)(O)	N(CC[6a]CH)(SC[6a]OO)(CCC)	C(CCS)(COO)(NCS)	C(CCN)(OC)(O)	N(CC[6a]CH)(SC[6a]OO)(CCC)	113.3940	0.000	1	113.3940	0.000	1	117.2967	11.429	3	117.8248	5.442	10	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:1:	4:4:3:	C-3:N-3:N-3:	C-3:S-2:S-1:	C-4:C-4:C-3:	C(CSS)(NCC)2	C(CNN)(SC)(S)	N(CCHH)2(CCN)	C(CSS)(NCC)2	C(CNN)(SC)(S)	N(CCHH)2(CCN)	117.3102	0.611	6	117.3102	0.373	6	117.3102	0.373	6	117.8248	5.442	10	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:2:	3:1:1:	C-3:C-3:N-3:	C-3:C-2:C-2:	C-3:H-1:H-1:	C(CCC)2(NHH)	C(CCN)(CN)2	N(CCC)(H)2	C(CCC)2(NHH)	C(CCN)(CN)2	N(CCC)(H)2	123.8350	0.000	1	123.8350	0.000	1	123.8350	0.000	1	120.5072	5.848	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:2:	3:1:1:	C-3:C-3:N-3:	C-3:N-2:S-2:	C-3:O-1:O-1:	C(CNN)(CNS)(NOO)	C(CCN)(NC)(SC)	N(CCC)(O)2	C(CNN)(CNS)(NOO)	C(CCN)(NC)(SC)	N(CCC)(O)2	123.0290	0.000	1	123.0290	0.000	1	123.0290	0.000	1	120.5072	5.848	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:2:	3:1:1:	C-3:C-3:N-3:	C-3:O-2:O-2:	C-3:O-1:O-1:	C(CIrC)(COO)(NOO)	C(CCN)(OIr)(OC)	N(CCC)(O)2	C(CIrC)(COO)(NOO)	C(CCN)(OIr)(OC)	N(CCC)(O)2	118.3020	0.000	1	118.3020	0.000	1	118.3020	0.000	1	120.5072	5.848	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:2:	3:1:1:	C-3:C-3:N-3:	C-3:S-2:S-2:	C-3:O-1:O-1:	C(CCS)(CSS)(NOO)	C(CCN)(SC)2	N(CCC)(O)2	C(CCS)(CSS)(NOO)	C(CCN)(SC)2	N(CCC)(O)2	121.3705	0.733	2	121.3705	0.538	2	121.3705	0.538	2	120.5072	5.848	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:2:	3:1:1:	C-3:N-3:N-3:	C-3:C-2:C-2:	C-3:H-1:H-1:	C(CCC)(NHH)2	C(CNN)(CN)2	N(CCN)(H)2	C(CCC)(NHH)2	C(CNN)(CN)2	N(CCN)(H)2	121.0980	0.539	2	121.0980	0.290	2	121.0980	0.290	2	120.5072	5.848	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:2:	3:1:1:	N-3:C-3:N-3:	C-3:C-2:N-2:	C-3:H-1:H-1:	C(NMnC)(CCN)(NHH)	C(CNN)(CN)(NN)	N(CCN)(H)2	C(NMnC)(CCN)(NHH)	C(CNN)(CN)(NN)	N(CCN)(H)2	117.2310	0.000	2	117.2310	0.000	2	117.2310	0.000	2	120.5072	5.848	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:2:	3:3:1:	C[6a]-3:N-3:C-3:	C-3:N-2:O-2:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(NC[6a]O)(CNO)	C(CC[6a]N)(NS)(OC)	N(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(NC[6a]O)(CNO)	C(CC[6a]N)(NS)(OC)	N(C[6a]C[6a]2)(CC[6a]C)(O)	116.5224	1.039	5	116.5224	1.079	5	116.5224	1.079	5	116.5224	1.079	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:2:	3:4:4:	C[6a]-3:C-3:N-3:	C-3:C-2:C-2:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(CCC)(NCC)	C(CC[6a]N)(CN)2	N(CC[6a]C)(CCHH)2	C(C[6a]C[6a]2)(CCC)(NCC)	C(CC[6a]N)(CN)2	N(CC[6a]C)(CCHH)2	126.8980	0.000	1	126.8980	0.000	1	125.2410	5.491	2	125.2410	5.491	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:2:	3:4:4:	C[6a]-3:C-3:N-3:	C-3:C-2:C-2:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(CCC)(NCC)	C(CC[6a]N)(CN)2	N(CC[6a]C)(CH3)2	C(C[6a]C[6a]2)(CCC)(NCC)	C(CC[6a]N)(CN)2	N(CC[6a]C)(CH3)2	123.5840	0.000	1	123.5840	0.000	1	125.2410	5.491	2	125.2410	5.491	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:2:	4:4:3:	C-3:C-3:N-3:	C-3:C-2:C-2:	S-4:C-4:C-3:	C(CC[6a]C)(CCC)(NCS)	C(CCN)(CN)2	N(SC[6a]OO)(CH3)(CCC)	C(CC[6a]C)(CCC)(NCS)	C(CCN)(CN)2	N(SC[6a]OO)(CH3)(CCC)	122.4240	0.547	2	122.4240	0.300	2	122.4240	0.300	2	119.2921	5.693	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:2:	4:4:3:	C-3:N-3:N-3:	C-3:S-2:S-2:	C-4:C-4:C-3:	C(CSS)(NCC)2	C(CNN)(SCr)2	N(CCHH)2(CCN)	C(CSS)(NCC)2	C(CNN)(SCr)2	N(CCHH)2(CCN)	117.3930	0.216	2	117.3930	0.047	2	117.4797	0.044	4	119.2921	5.693	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:2:	4:4:3:	C-3:N-3:N-3:	C-3:S-2:S-2:	C-4:C-4:C-3:	C(CSS)(NCC)2	C(CNN)(SW)2	N(CCHH)2(CCN)	C(CSS)(NCC)2	C(CNN)(SW)2	N(CCHH)2(CCN)	117.5665	0.234	2	117.5665	0.055	2	117.4797	0.044	4	119.2921	5.693	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:2:	4:4:3:	C[6a]-3:C-3:N-3:	C-3:Se-2:Se-2:	S-4:S-4:C-3:	C(C[6a]C[6a]2)(CSe2)(NSS)	C(CC[6a]N)(SeC[6a])2	N(SC[6a]OO)2(CC[6a]C)	C(C[6a]C[6a]2)(CSe2)(NSS)	C(CC[6a]N)(SeC[6a])2	N(SC[6a]OO)2(CC[6a]C)	120.2780	0.000	1	120.2780	0.000	1	120.2780	0.000	1	119.2921	5.693	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:3:	3:1:1:	C-3:C-3:N-3:	N[6]-3:S-2:C-3:	C-3:O-1:O-1:	C(CN[6]S)(CClC)(NOO)	C(N[6]C[6]2)(SC[6a])(CCN)	N(CCC)(O)2	C(CN[6]S)(CClC)(NOO)	C(N[6]C[6]2)(SC[6a])(CCN)	N(CCC)(O)2	120.9940	0.000	1	120.9940	0.000	1	120.9940	0.000	1	120.9940	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:3:	3:3:1:	C-3:N-3:C-3:	C[5a]-3:N-2:C-3:	C[6a]-3:C-3:O-1:	C(CC[5a]N)(NC[6a]O)(COO)	C(C[5a]C[5a,6a]C[5a])(NC[6a])(CCN)	N(C[6a]C[6a]2)(CCC)(O)	C(CC[5a]N)(NC[6a]O)(COO)	C(C[5a]C[5a,6a]C[5a])(NC[6a])(CCN)	N(C[6a]C[6a]2)(CCC)(O)	118.0390	0.000	1	118.0390	0.000	1	118.0390	0.000	1	118.0390	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:3:	3:4:1:	C[6a]-3:C-3:N-3:	C-3:S-2:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCS)(NCH)	C(CC[6a]N)(SC[6a])(COO)	N(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCS)(NCH)	C(CC[6a]N)(SC[6a])(COO)	N(CC[6a]C)(CCHH)(H)	122.1400	0.000	1	122.1400	0.000	1	122.1400	0.000	1	122.1400	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:2:3:	4:3:1:	C[6a]-3:C-3:N-3:	C-3:S-2:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCS)(NCH)	C(CC[6a]N)(SC[6a])(COO)	N(CC[6a]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCS)(NCH)	C(CC[6a]N)(SC[6a])(COO)	N(CC[6a]HH)(CC[6a]C)(H)	126.6300	0.000	1	126.6300	0.000	1	126.6300	0.000	1	126.6300	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:1:1:	C-3:C-3:N-3:	C-3:C-3:Cl-1:	C-3:O-1:O-1:	C(CClC)(CClS)(NOO)	C(CCl2)(CCN)(Cl)	N(CCC)(O)2	C(CClC)(CClS)(NOO)	C(CCl2)(CCN)(Cl)	N(CCC)(O)2	114.1200	0.000	1	114.1200	0.000	1	115.0693	1.020	6	117.1024	15.604	59	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:1:1:	C-3:C-3:N-3:	C-3:C-3:Cl-1:	C-3:O-1:O-1:	C(CClC)(CSS)(NOO)	C(CCl2)(CCN)(Cl)	N(CCC)(O)2	C(CClC)(CSS)(NOO)	C(CCl2)(CCN)(Cl)	N(CCC)(O)2	114.7790	0.000	1	114.7790	0.000	1	115.0693	1.020	6	117.1024	15.604	59	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:1:1:	C-3:C-3:N-3:	C-3:C-3:Cl-1:	C-3:O-1:O-1:	C(CN[6]S)(CClC)(NOO)	C(CCl2)(CCN)(Cl)	N(CCC)(O)2	C(CN[6]S)(CClC)(NOO)	C(CCl2)(CCN)(Cl)	N(CCC)(O)2	115.3792	1.115	4	115.3792	1.243	4	115.0693	1.020	6	117.1024	15.604	59	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:1:1:	C-3:C-3:N-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CCH)(CCO)(NHH)	C(CCH)(CCN)(H)	N(CCC)(H)2	C(CCH)(CCO)(NHH)	C(CCH)(CCN)(H)	N(CCC)(H)2	119.9337	0.764	3	119.9337	0.584	3	119.9337	0.584	3	117.1024	15.604	59	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:1:1:	C-3:C-3:N-3:	C-3:C-3:H-1:	C-3:O-1:O-1:	C(CCH)(CCO)(NOO)	C(CCH)(CCN)(H)	N(CCC)(O)2	C(CCH)(CCO)(NOO)	C(CCH)(CCN)(H)	N(CCC)(O)2	114.6840	0.000	1	114.6840	0.000	1	115.3750	0.716	12	117.1024	15.604	59	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:1:1:	C-3:C-3:N-3:	C-3:C-3:H-1:	C-3:O-1:O-1:	C(CCH)(CHO)(NOO)	C(CCH)(CCN)(H)	N(CCC)(O)2	C(CCH)(CHO)(NOO)	C(CCH)(CCN)(H)	N(CCC)(O)2	117.3910	0.000	1	117.3910	0.000	1	115.3750	0.716	12	117.1024	15.604	59	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:1:1:	C-3:C-3:N-3:	C-3:C-3:H-1:	C-3:O-1:O-1:	C(CCH)2(NOO)	C(CCH)(CCN)(H)	N(CCC)(O)2	C(CCH)2(NOO)	C(CCH)(CCN)(H)	N(CCC)(O)2	115.2617	0.446	6	115.2617	0.199	6	115.3750	0.716	12	117.1024	15.604	59	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:1:1:	C-3:C-3:N-3:	C-3:C-3:H-1:	C-3:O-1:O-1:	C(CIrH)(CCH)(NOO)	C(CCH)(CCN)(H)	N(CCC)(O)2	C(CIrH)(CCH)(NOO)	C(CCH)(CCN)(H)	N(CCC)(O)2	115.2138	0.848	4	115.2138	0.718	4	115.3750	0.716	12	117.1024	15.604	59	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:1:1:	C-3:C-3:N-3:	C-3:C-3:O-1:	C-3:H-1:H-1:	C(CCH)(CCO)(NHH)	C(CCH)(CCN)(O)	N(CCC)(H)2	C(CCH)(CCO)(NHH)	C(CCH)(CCN)(O)	N(CCC)(H)2	113.2750	0.361	3	113.2750	0.130	3	113.2750	0.130	3	117.1024	15.604	59	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:1:1:	C-3:C-3:N-3:	C-3:C-3:O-1:	C-3:O-1:O-1:	C(CCC)(CCO)(NOO)	C(CC[6]C)(CCN)(O)	N(CCC)(O)2	C(CCC)(CCO)(NOO)	C(CC[6]C)(CCN)(O)	N(CCC)(O)2	107.2520	0.000	1	107.2520	0.000	1	109.4800	9.928	2	117.1024	15.604	59	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:1:1:	C-3:C-3:N-3:	C-3:C-3:O-1:	C-3:O-1:O-1:	C(CCH)(CCO)(NOO)	C(CCN)(CCO)(O)	N(CCC)(O)2	C(CCH)(CCO)(NOO)	C(CCN)(CCO)(O)	N(CCC)(O)2	111.7080	0.000	1	111.7080	0.000	1	109.4800	9.928	2	117.1024	15.604	59	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:1:1:	C-3:C-3:N-3:	C-3:N-3:S-1:	C-3:O-1:O-1:	C(CNN)(CNS)(NOO)	C(CCN)(NCH)(S)	N(CCC)(O)2	C(CNN)(CNS)(NOO)	C(CCN)(NCH)(S)	N(CCC)(O)2	126.4365	0.337	2	126.4365	0.114	2	126.4365	0.114	2	117.1024	15.604	59	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:1:1:	C-3:C-3:N-3:	C[6a]-3:C-3:H-1:	C-3:O-1:O-1:	C(CC[6a]H)(CC[6a]O)(NOO)	C(C[6a]C[6a,6a]C[6a])(CCN)(H)	N(CCC)(O)2	C(CC[6a]H)(CC[6a]O)(NOO)	C(C[6a]C[6a,6a]C[6a])(CCN)(H)	N(CCC)(O)2	117.7020	0.021	2	117.7020	0.000	2	117.7020	0.000	2	117.1024	15.604	59	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:1:1:	C-3:C-3:N-3:	C[6a]-3:C-3:O-1:	C-3:O-1:O-1:	C(CC[6a]H)(CC[6a]O)(NOO)	C(C[6a]C[6a]2)(CCN)(O)	N(CCC)(O)2	C(CC[6a]H)(CC[6a]O)(NOO)	C(C[6a]C[6a]2)(CCN)(O)	N(CCC)(O)2	116.8395	7.058	2	116.8395	49.810	2	116.8395	49.810	2	117.1024	15.604	59	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:1:1:	C-3:C-3:N-3:	N-3:C-3:H-1:	C-3:O-1:O-1:	C(CHN)2(NOO)	C(NC[6a]Cu)(CCN)(H)	N(CCC)(O)2	C(CHN)2(NOO)	C(NC[6a]Cu)(CCN)(H)	N(CCC)(O)2	116.4404	0.646	10	116.4404	0.417	10	116.4565	0.295	15	117.1024	15.604	59	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:1:1:	C-3:C-3:N-3:	N-3:C-3:H-1:	C-3:O-1:O-1:	C(CHN)2(NOO)	C(NC[6a]H)(CCN)(H)	N(CCC)(O)2	C(CHN)2(NOO)	C(NC[6a]H)(CCN)(H)	N(CCC)(O)2	116.4227	0.145	3	116.4227	0.021	3	116.4565	0.295	15	117.1024	15.604	59	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:1:1:	C-3:C-3:N-3:	N-3:C-3:H-1:	C-3:O-1:O-1:	C(CHN)2(NOO)	C(NC[6a]Rh)(CCN)(H)	N(CCC)(O)2	C(CHN)2(NOO)	C(NC[6a]Rh)(CCN)(H)	N(CCC)(O)2	116.5875	0.551	2	116.5875	0.303	2	116.4565	0.295	15	117.1024	15.604	59	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:1:1:	C-3:N-3:N-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CCH)(NCH)(NHH)	C(CN[6]H)(CNN)(H)	N(CCN)(H)2	C(CCH)(NCH)(NHH)	C(CN[6]H)(CNN)(H)	N(CCN)(H)2	124.7900	0.000	1	124.7900	0.000	1	124.7900	0.000	1	117.1024	15.604	59	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:1:1:	C-3:N-3:N-3:	C-3:N-3:O-1:	C-3:O-1:O-1:	C(CNO)(NOO)2	C(CNN)(NCH)(O)	N(CCN)(O)2	C(CNO)(NOO)2	C(CNN)(NCH)(O)	N(CCN)(O)2	122.1947	7.644	4	122.1947	58.424	4	122.1947	58.424	4	117.1024	15.604	59	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:1:1:	C-3:N-3:N-3:	C[5a]-3:C-3:H-1:	C-3:O-1:O-1:	C(CC[5a]H)(NCN)(NOO)	C(C[5a]C[5a]O[5a])(CNN)(H)	N(CCN)(O)2	C(CC[5a]H)(NCN)(NOO)	C(C[5a]C[5a]O[5a])(CNN)(H)	N(CCN)(O)2	118.3610	0.000	1	118.3610	0.000	1	118.3610	0.000	1	117.1024	15.604	59	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:1:1:	C-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C-3:O-1:O-1:	C(CC[6a]H)(NCN)(NOO)	C(C[6a]C[6a]2)(CNN)(H)	N(CCN)(O)2	C(CC[6a]H)(NCN)(NOO)	C(C[6a]C[6a]2)(CNN)(H)	N(CCN)(O)2	117.6090	0.741	2	117.6090	0.549	2	117.6090	0.549	2	117.1024	15.604	59	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C-3:N-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCH)(NHH)	C(CC[6a]N)(CC[6a]O)(H)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCH)(NHH)	C(CC[6a]N)(CC[6a]O)(H)	N(CC[6a]C)(H)2	124.0290	0.000	1	124.0290	0.000	1	124.0290	0.000	1	117.1024	15.604	59	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C-3:N-3:	C-3:C-3:H-1:	C-3:O-1:O-1:	C(C[6a]C[6a]2)(CCH)(NOO)	C(CC[6a]N)(CCH)(H)	N(CC[6a]C)(O)2	C(C[6a]C[6a]2)(CCH)(NOO)	C(CC[6a]N)(CCH)(H)	N(CC[6a]C)(O)2	118.7830	0.000	1	118.7830	0.000	1	118.7830	0.000	1	117.1024	15.604	59	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C-3:N-3:	C-3:N-3:H-1:	C-3:O-1:O-1:	C(C[6a]C[6a]2)(CHN)(NOO)	C(CC[6a]N)(NCH)(H)	N(CC[6a]C)(O)2	C(C[6a]C[6a]2)(CHN)(NOO)	C(CC[6a]N)(NCH)(H)	N(CC[6a]C)(O)2	120.0670	0.000	1	120.0670	0.000	1	120.0670	0.000	1	117.1024	15.604	59	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C-3:H-1:	C-3:O-1:O-1:	C(C[6a]C[6a]2)(CC[6a]H)(NOO)	C(C[6a]C[6a]2)(CC[6a]N)(H)	N(CC[6a]C)(O)2	C(C[6a]C[6a]2)(CC[6a]H)(NOO)	C(C[6a]C[6a]2)(CC[6a]N)(H)	N(CC[6a]C)(O)2	116.7070	0.000	1	116.7070	0.000	1	116.7070	0.000	1	117.1024	15.604	59	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:N-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)(COO)(NCH)	C(CCH)(CCN)(H)	N(CCC)(CCO)(H)	C(CCH)(COO)(NCH)	C(CCH)(CCN)(H)	N(CCC)(CCO)(H)	124.9430	0.000	1	124.9430	0.000	1	124.3480	0.708	2	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:N-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)(COO)(NCH)	C(CCH)(CCN)(H)	N(CCC)(CHO)(H)	C(CCH)(COO)(NCH)	C(CCH)(CCN)(H)	N(CCC)(CHO)(H)	123.7530	0.000	1	123.7530	0.000	1	124.3480	0.708	2	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:N-3:	C-3:C-3:O-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCO)(NCH)	C(CCN)(COO)(O)	N(CCC)(COO)(H)	C(CC[6a]H)(CCO)(NCH)	C(CCN)(COO)(O)	N(CCC)(COO)(H)	116.8665	0.909	2	116.8665	0.826	2	116.8665	0.826	2	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:N-3:	C-3:N-3:O-1:	C-3:C-3:H-1:	C(CCC)(CNO)(NCH)	C(CCN)(NCH)(O)	N(CCC)(COO)(H)	C(CCC)(CNO)(NCH)	C(CCN)(NCH)(O)	N(CCC)(COO)(H)	114.1560	0.000	1	114.1560	0.000	1	115.9414	4.090	22	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:N-3:	C-3:N-3:O-1:	C-3:C-3:H-1:	C(CCH)(CNO)(NCH)	C(CCN)(NCH)(O)	N(CCC)(CCO)(H)	C(CCH)(CNO)(NCH)	C(CCN)(NCH)(O)	N(CCC)(CCO)(H)	116.9910	0.000	1	116.9910	0.000	1	115.9414	4.090	22	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:N-3:	C-3:N-3:O-1:	C-3:C-3:H-1:	C(CCH)(CNO)(NCH)	C(CCN)(NCH)(O)	N(CCC)(COO)(H)	C(CCH)(CNO)(NCH)	C(CCN)(NCH)(O)	N(CCC)(COO)(H)	115.5640	0.000	1	115.5640	0.000	1	115.9414	4.090	22	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:N-3:	C-3:N-3:O-1:	C-3:C-3:H-1:	C(CC[5a]H)(CNO)(NCH)	C(CCN)(NHN)(O)	N(CC[6a]O)(CCC)(H)	C(CC[5a]H)(CNO)(NCH)	C(CCN)(NHN)(O)	N(CC[6a]O)(CCC)(H)	115.0910	0.000	1	115.0910	0.000	1	115.9414	4.090	22	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:N-3:	C-3:N-3:O-1:	C-3:C-3:H-1:	C(CC[6a]H)(CNO)(NCH)	C(CCN)(NCH)(O)	N(CCC)(CCO)(H)	C(CC[6a]H)(CNO)(NCH)	C(CCN)(NCH)(O)	N(CCC)(CCO)(H)	116.5388	1.521	16	116.5388	2.312	16	115.9414	4.090	22	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:N-3:	C-3:N-3:O-1:	C-3:C-3:H-1:	C(CC[6a]H)(CNO)(NCH)	C(CCN)(NCH)(O)	N(CC[6a]O)(CCC)(H)	C(CC[6a]H)(CNO)(NCH)	C(CCN)(NCH)(O)	N(CC[6a]O)(CCC)(H)	114.5420	0.000	1	114.5420	0.000	1	115.9414	4.090	22	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:N-3:	C-3:N-3:O-1:	C-3:C-3:H-1:	C(CHH)(CNO)(NCH)	C(CCN)(NCH)(O)	N(CCC)(CCO)(H)	C(CHH)(CNO)(NCH)	C(CCN)(NCH)(O)	N(CCC)(CCO)(H)	109.7450	0.000	1	109.7450	0.000	1	115.9414	4.090	22	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:N-3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5a]H)(CNO)(NCH)	C(C[5a]C[5a]S[5a])(CCN)(H)	N(CC[6a]O)(CCC)(H)	C(CC[5a]H)(CNO)(NCH)	C(C[5a]C[5a]S[5a])(CCN)(H)	N(CC[6a]O)(CCC)(H)	121.2910	1.055	2	121.2910	1.113	2	121.5692	0.487	4	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:N-3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5a]H)(COO)(NCH)	C(C[5a]C[5a,6a]C[5a])(CCN)(H)	N(CCC)(COO)(H)	C(CC[5a]H)(COO)(NCH)	C(C[5a]C[5a,6a]C[5a])(CCN)(H)	N(CCC)(COO)(H)	121.9850	0.000	1	121.9850	0.000	1	121.5692	0.487	4	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:N-3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5a]H)(COO)(NCH)	C(C[5a]C[5a]S[5a])(CCN)(H)	N(CC[6a]O)(CCC)(H)	C(CC[5a]H)(COO)(NCH)	C(C[5a]C[5a]S[5a])(CCN)(H)	N(CC[6a]O)(CCC)(H)	121.7100	0.000	1	121.7100	0.000	1	121.5692	0.487	4	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:N-3:	C[6a]-3:C-3:Br-1:	C-3:C-3:H-1:	C(CC[6a]Br)(COO)(NCH)	C(C[6a]C[6a]2)(CCN)(Br)	N(CCC)(COO)(H)	C(CC[6a]Br)(COO)(NCH)	C(C[6a]C[6a]2)(CCN)(Br)	N(CCC)(COO)(H)	124.0850	0.000	1	124.0850	0.000	1	124.0850	0.000	1	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:N-3:	C[6a]-3:C-3:D-1:	C-3:C-3:H-1:	C(CC[6a]D)(COO)(NCH)	C(C[6a]C[6a]2)(CCN)(D)	N(CC[6a]O)(CCC)(H)	C(CC[6a]D)(COO)(NCH)	C(C[6a]C[6a]2)(CCN)(D)	N(CC[6a]O)(CCC)(H)	124.1700	0.000	1	124.1700	0.000	1	124.1700	0.000	1	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:N-3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCO)(NCH)	C(C[6a]C[6a]2)(CCN)(H)	N(CCC)(COO)(H)	C(CC[6a]H)(CCO)(NCH)	C(C[6a]C[6a]2)(CCN)(H)	N(CCC)(COO)(H)	124.7045	0.569	2	124.7045	0.324	2	123.2633	4.634	23	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:N-3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CNO)(NCH)	C(C[6a]C[6a]2)(CCN)(H)	N(CCC)(CCO)(H)	C(CC[6a]H)(CNO)(NCH)	C(C[6a]C[6a]2)(CCN)(H)	N(CCC)(CCO)(H)	122.6794	2.204	16	122.6794	4.856	16	123.2633	4.634	23	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:N-3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CNO)(NCH)	C(C[6a]C[6a]2)(CCN)(H)	N(CC[6a]O)(CCC)(H)	C(CC[6a]H)(CNO)(NCH)	C(C[6a]C[6a]2)(CCN)(H)	N(CC[6a]O)(CCC)(H)	122.1640	0.000	1	122.1640	0.000	1	123.2633	4.634	23	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:N-3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(COO)(NCH)	C(C[6a]C[6a]2)(CCN)(H)	N(CCC)(CCO)(H)	C(CC[6a]H)(COO)(NCH)	C(C[6a]C[6a]2)(CCN)(H)	N(CCC)(CCO)(H)	125.4700	1.112	3	125.4700	1.236	3	123.2633	4.634	23	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:N-3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(COO)(NCH)	C(C[6a]C[6a]2)(CCN)(H)	N(CC[6a]O)(CCC)(H)	C(CC[6a]H)(COO)(NCH)	C(C[6a]C[6a]2)(CCN)(H)	N(CC[6a]O)(CCC)(H)	124.2020	0.000	1	124.2020	0.000	1	123.2633	4.634	23	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:N-3:	C[6a]-3:C-3:H-1:	C-3:C-3:O-1:	C(CC[6a]H)(COO)(NCO)	C(C[6a]C[6a]2)(CCN)(H)	N(CC[6a]H)(CCC)(O)	C(CC[6a]H)(COO)(NCO)	C(C[6a]C[6a]2)(CCN)(H)	N(CC[6a]H)(CCC)(O)	124.1930	0.000	1	124.1930	0.000	1	124.1930	0.000	1	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:N-3:	N-3:C-3:H-1:	C-3:C-3:H-1:	C(CN[5]O)(CHN)(NCH)	C(NC[6a]H)(CCN)(H)	N(CC[6a]O)(CCC)(H)	C(CN[5]O)(CHN)(NCH)	C(NC[6a]H)(CCN)(H)	N(CC[6a]O)(CCC)(H)	121.4275	0.373	2	121.4275	0.139	2	121.4275	0.139	2	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:N-3:	N[5]-3:C-3:O-1:	C-3:C-3:H-1:	C(CC[6a]C)(CN[5]O)(NCH)	C(N[5]C[5]2)(CCN)(O)	N(CC[6a]O)(CCC)(H)	C(CC[6a]C)(CN[5]O)(NCH)	C(N[5]C[5]2)(CCN)(O)	N(CC[6a]O)(CCC)(H)	118.4280	0.000	1	118.4280	0.000	1	118.5263	0.205	3	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:N-3:	N[5]-3:C-3:O-1:	C-3:C-3:H-1:	C(CN[5]O)(CHN)(NCH)	C(N[5]C[5]2)(CCN)(O)	N(CC[6a]O)(CCC)(H)	C(CN[5]O)(CHN)(NCH)	C(N[5]C[5]2)(CCN)(O)	N(CC[6a]O)(CCC)(H)	118.5755	0.629	2	118.5755	0.395	2	118.5263	0.205	3	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C-3:N-3:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CC[6a]O)(NC[6a]H)(CCH)	C(CC[6a]O)(CCN)(H)	N(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]O)(NC[6a]H)(CCH)	C(CC[6a]O)(CCN)(H)	N(C[6a]C[6a]2)(CCC)(H)	123.3480	0.021	2	123.3480	0.000	2	123.3480	0.000	2	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C-3:N-3:C-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(NC[6a]H)(COO)	C(C[6a]C[6a]N[6a])(CCN)(H)	N(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(NC[6a]H)(COO)	C(C[6a]C[6a]N[6a])(CCN)(H)	N(C[6a]C[6a]2)(CCC)(H)	123.9910	0.280	2	123.9910	0.078	2	123.9910	0.078	2	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C-3:N-3:C-3:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[6a]O)(NC[6a]H)(CCC)	C(C[6a]C[6a,6a]C[6a])(CCN)(O)	N(C[6a]C[6a]N[6a])(CCC)(H)	C(CC[6a]O)(NC[6a]H)(CCC)	C(C[6a]C[6a,6a]C[6a])(CCN)(O)	N(C[6a]C[6a]N[6a])(CCC)(H)	119.1170	0.000	2	119.1170	0.000	2	118.6280	0.451	5	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C-3:N-3:C-3:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[6a]O)(NC[6a]H)(CCC)	C(C[6a]C[6a]2)(CCN)(O)	N(C[6a]C[6a]N[6a])(CCC)(H)	C(CC[6a]O)(NC[6a]H)(CCC)	C(C[6a]C[6a]2)(CCN)(O)	N(C[6a]C[6a]N[6a])(CCC)(H)	117.8110	0.000	1	117.8110	0.000	1	118.6280	0.451	5	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C-3:N-3:C-3:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[6a]O)(NC[6a]H)(CCH)	C(C[6a]C[6a]2)(CCN)(O)	N(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]O)(NC[6a]H)(CCH)	C(C[6a]C[6a]2)(CCN)(O)	N(C[6a]C[6a]2)(CCC)(H)	118.5475	0.804	2	118.5475	0.646	2	118.6280	0.451	5	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C-3:N-3:N-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)(NCC)(NCH)	C(CCO)(CNN)(H)	N(CC[6a]O)(CCN)(H)	C(CCH)(NCC)(NCH)	C(CCO)(CNN)(H)	N(CC[6a]O)(CCN)(H)	118.0890	0.000	1	118.0890	0.000	1	117.0080	2.337	2	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C-3:N-3:N-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)(NCH)(NHH)	C(CN[6]H)(CNN)(H)	N(CCN)(CNO)(H)	C(CCH)(NCH)(NHH)	C(CN[6]H)(CNN)(H)	N(CCN)(CNO)(H)	115.9270	0.000	1	115.9270	0.000	1	117.0080	2.337	2	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(NCH)(NCS)	C(C[6a]C[6a]2)(CNN)(H)	N(CCN)(CCO)(H)	C(CC[6a]H)(NCH)(NCS)	C(C[6a]C[6a]2)(CNN)(H)	N(CCN)(CCO)(H)	120.7420	0.079	2	120.7420	0.006	2	120.7420	0.006	2	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:N-3:	C-3:C-3:Br-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CBrC)(NCH)	C(CC[6a]N)(CHO)(Br)	N(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CBrC)(NCH)	C(CC[6a]N)(CHO)(Br)	N(CC[6a]C)2(H)	121.7120	0.173	2	121.7120	0.030	2	121.7120	0.030	2	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:N-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NCH)	C(CC[6a]N)(COO)(H)	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C(CC[6a]N)(COO)(H)	N(CC[6a]C)(CCO)(H)	123.7835	0.202	2	123.7835	0.041	2	122.8637	2.559	3	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:N-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NCH)	C(CC[6a]N)(COO)(H)	N(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C(CC[6a]N)(COO)(H)	N(CC[6a]C)2(H)	121.0240	0.000	1	121.0240	0.000	1	122.8637	2.559	3	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:N-3:	C-3:N-3:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CHN)(NCH)	C(CC[6a]N)(NHS)(H)	N(CC[6a]C)(COO)(H)	C(C[6a]C[6a]2)(CHN)(NCH)	C(CC[6a]N)(NHS)(H)	N(CC[6a]C)(COO)(H)	119.2200	0.000	1	119.2200	0.000	1	119.2200	0.000	1	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(CC[6a]N)(H)	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(CC[6a]N)(H)	N(CC[6a]C)(CCO)(H)	122.3643	1.914	3	122.3643	3.663	3	121.8102	3.670	4	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)	N(CC[6a]C)(CHO)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)	N(CC[6a]C)(CHO)(H)	120.1480	0.000	1	120.1480	0.000	1	121.8102	3.670	4	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NC[6a]H)	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]C)(H)	120.4230	0.000	1	120.4230	0.000	1	120.4230	0.000	1	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a]O)	C(C[6a]C[6a]2)(CC[6a]N)(O)	N(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a]O)	C(C[6a]C[6a]2)(CC[6a]N)(O)	N(C[6a]C[6a]2)(CC[6a]C)(O)	118.2100	0.048	2	118.2100	0.002	2	118.2100	0.002	2	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:N-3:C-3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(CCH)	C(CC[6a]N)(COO)(H)	N(C[5a]C[5a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[5a]H)(CCH)	C(CC[6a]N)(COO)(H)	N(C[5a]C[5a]2)(CC[6a]C)(H)	123.8640	0.000	1	123.8640	0.000	1	123.8640	0.000	1	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:N-3:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C(CC[6a]N)(CCN)(H)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C(CC[6a]N)(CCN)(H)	N(C[6a]C[6a]2)(CC[6a]C)(H)	120.7677	0.931	3	120.7677	0.867	3	121.4995	1.260	12	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:N-3:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C(CC[6a]N)(CCO)(H)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C(CC[6a]N)(CCO)(H)	N(C[6a]C[6a]2)(CC[6a]C)(H)	121.6500	0.000	1	121.6500	0.000	1	121.4995	1.260	12	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:N-3:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C(CC[6a]N)(CC[6a]O)(H)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C(CC[6a]N)(CC[6a]O)(H)	N(C[6a]C[6a]2)(CC[6a]C)(H)	121.0654	0.647	5	121.0654	0.419	5	121.4995	1.260	12	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:N-3:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C(CC[6a]N)(COO)(H)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C(CC[6a]N)(COO)(H)	N(C[6a]C[6a]2)(CC[6a]C)(H)	121.7900	0.000	1	121.7900	0.000	1	121.4995	1.260	12	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:N-3:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C(CC[6a]N)(COW)(H)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C(CC[6a]N)(COW)(H)	N(C[6a]C[6a]2)(CC[6a]C)(H)	123.4620	0.300	2	123.4620	0.090	2	121.4995	1.260	12	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCH)(CCN)	C(CCH)(CCN)(H)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCH)(CCN)	C(CCH)(CCN)(H)	N(C[6a]C[6a]2)(CCC)(H)	127.1230	0.000	1	127.1230	0.000	1	123.3578	5.204	6	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCH)(CCO)	C(CCH)(CCN)(H)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCH)(CCO)	C(CCH)(CCN)(H)	N(C[6a]C[6a]2)(CCC)(H)	121.6333	0.955	3	121.6333	0.911	3	123.3578	5.204	6	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCH)(COO)	C(CCN)(COO)(H)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCH)(COO)	C(CCN)(COO)(H)	N(C[6a]C[6a]2)(CCC)(H)	124.2950	0.000	1	124.2950	0.000	1	123.3578	5.204	6	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCH)(COO)	C(CC[5]O)(CCN)(H)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCH)(COO)	C(CC[5]O)(CCN)(H)	N(C[6a]C[6a]2)(CCC)(H)	123.8290	0.000	1	123.8290	0.000	1	123.3578	5.204	6	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	N-3:C-3:C-3:	C-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCH)(CCO)	C(CCH)(CCN)(O)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCH)(CCO)	C(CCH)(CCN)(O)	N(C[6a]C[6a]2)(CCC)(H)	111.4020	0.790	3	111.4020	0.624	3	111.4020	0.624	3	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:1:	N-3:N-3:C-3:	N-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NNiO)(CHN)	C(NNiO)(CNN)(H)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NNiO)(CHN)	C(NNiO)(CNN)(H)	N(C[6a]C[6a]2)(CCN)(H)	122.7080	0.000	1	122.7080	0.000	1	122.7080	0.000	1	120.3901	13.258	110	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:3:	C-3:C-3:N-3:	C-3:C-3:H-1:	C-3:N-3:C-3:	C(CCH)(COO)(NCN)	C(CCN)(COO)(H)	N(CC[6a]O)(NC[6a]C)(CCC)	C(CCH)(COO)(NCN)	C(CCN)(COO)(H)	N(CC[6a]O)(NC[6a]C)(CCC)	124.8360	2.618	2	124.8360	6.852	2	124.8360	6.852	2	123.4412	15.243	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:3:	C-3:N-3:N-3:	C[5a]-3:C-3:H-1:	C-3:C-3:N-3:	C(CC[5a]H)(NCN)(NOO)	C(C[5a]C[5a]O[5a])(CNN)(H)	N(CCN)(COO)(NCH)	C(CC[5a]H)(NCN)(NOO)	C(C[5a]C[5a]O[5a])(CNN)(H)	N(CCN)(COO)(NCH)	127.6000	0.000	1	127.6000	0.000	1	127.6000	0.000	1	123.4412	15.243	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:3:	C-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C-3:C-3:N-3:	C(CC[6a]H)(NCN)(NOO)	C(C[6a]C[6a]2)(CNN)(H)	N(CCN)(COO)(NCC)	C(CC[6a]H)(NCN)(NOO)	C(C[6a]C[6a]2)(CNN)(H)	N(CCN)(COO)(NCC)	127.4640	0.028	2	127.4640	0.001	2	127.4640	0.001	2	123.4412	15.243	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N-3:C-3:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a]2)(CCH)	C(CC[6a]N)(CCH)(H)	N(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(NC[6a]2)(CCH)	C(CC[6a]N)(CCH)(H)	N(C[6a]C[6a]2)2(CC[6a]C)	118.8335	0.021	2	118.8335	0.000	2	118.8335	0.000	2	123.4412	15.243	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:N-3:C-3:	C-3:N-3:H-1:	C[6a]-3:B[5]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[6a]B[5])(CHN)	C(CC[6a]N)(NC[6a]B)(H)	N(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]C)	C(C[6a]C[6a]N[6a])(NC[6a]B[5])(CHN)	C(CC[6a]N)(NC[6a]B)(H)	N(C[6a]C[6a]2)(B[5]O[5]2)(CC[6a]C)	119.4610	0.000	1	119.4610	0.000	1	119.4610	0.000	1	123.4412	15.243	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:3:	N-3:C-3:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CCH)(COO)	C(CCN)(COO)(H)	N(C[6a]C[6a]2)(CCC)(CCO)	C(NC[6a]C)(CCH)(COO)	C(CCN)(COO)(H)	N(C[6a]C[6a]2)(CCC)(CCO)	121.6430	0.000	1	121.6430	0.000	1	121.6430	0.000	1	123.4412	15.243	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:4:	C[5]-3:N-3:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-4:	C(C[5]N[5,6]N[5])(NC[6a]C)(CCH)	C(CC[6a]H)(CC[5]N)(H)	N(C[6a]C[6a]2)(CC[5]C)(CH3)	C(C[5]N[5,6]N[5])(NC[6a]C)(CCH)	C(CC[6a]H)(CC[5]N)(H)	N(C[6a]C[6a]2)(CC[5]C)(CH3)	118.6740	0.000	1	118.6740	0.000	1	118.6740	0.000	1	120.5360	2.272	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C-3:N-3:	C-3:C-3:H-1:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CCH)(NCC)	C(CC[6a]N)(CCH)(H)	N(CC[6a]C)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(CCH)(NCC)	C(CC[6a]N)(CCH)(H)	N(CC[6a]C)(CC[6a]O)(CCHH)	119.1270	0.000	1	119.1270	0.000	1	121.3787	2.668	4	120.5360	2.272	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C-3:N-3:	C-3:C-3:H-1:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CCH)(NCC)	C(CC[6a]N)(CC[3]O)(H)	N(CC[6a]C)(CC[6a]O)(CC3)	C(C[6a]C[6a]2)(CCH)(NCC)	C(CC[6a]N)(CC[3]O)(H)	N(CC[6a]C)(CC[6a]O)(CC3)	122.0590	0.000	1	122.0590	0.000	1	121.3787	2.668	4	120.5360	2.272	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C-3:N-3:	C-3:C-3:H-1:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CCH)(NCC)	C(CC[6a]N)(CC[6a]O)(H)	N(CC[6a]C)(CC[6a]O)(CC3)	C(C[6a]C[6a]2)(CCH)(NCC)	C(CC[6a]N)(CC[6a]O)(H)	N(CC[6a]C)(CC[6a]O)(CC3)	122.1645	1.112	2	122.1645	1.237	2	121.3787	2.668	4	120.5360	2.272	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:C-3:N-3:	C-3:N-3:H-1:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CHN)(NCC)	C(CC[6a]N)(NHS)(H)	N(CC[6a]C)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(CHN)(NCC)	C(CC[6a]N)(NHS)(H)	N(CC[6a]C)(CC[6a]O)(CH3)	118.7075	0.302	2	118.7075	0.091	2	118.7075	0.091	2	120.5360	2.272	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:N-3:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	C(CC[6a]N)(CCH)(H)	N(C[6a]C[6a]2)(CC[6a]C)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	C(CC[6a]N)(CCH)(H)	N(C[6a]C[6a]2)(CC[6a]C)(CH3)	120.6292	0.490	4	120.6292	0.240	4	120.9656	0.746	5	120.5360	2.272	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:3:4:	C[6a]-3:N-3:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	C(CC[6a]N)(CHO)(H)	N(C[6a]C[6a]2)(CC[6a]C)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	C(CC[6a]N)(CHO)(H)	N(C[6a]C[6a]2)(CC[6a]C)(CH3)	122.3110	0.000	1	122.3110	0.000	1	120.9656	0.746	5	120.5360	2.272	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C-3:N-3:	C-3:C-3:H-1:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(NCH)	C(CC[6a]N)(CCrO)(H)	N(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C(CC[6a]N)(CCrO)(H)	N(CC[6a]C)(CCHH)(H)	122.8740	0.000	1	122.8740	0.000	1	125.0115	9.138	2	124.0592	4.900	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C-3:N-3:	C-3:C-3:H-1:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(NCH)	C(CC[6a]N)(CNO)(H)	N(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C(CC[6a]N)(CNO)(H)	N(CC[6a]C)(CCHH)(H)	127.1490	0.000	1	127.1490	0.000	1	125.0115	9.138	2	124.0592	4.900	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C-3:H-1:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)	N(CC[6a]C)(CCCH)(H)	C(C[6a]C[6a]2)(CC[6a]H)(NCH)	C(C[6a]C[6a]N[6a])(CC[6a]N)(H)	N(CC[6a]C)(CCCH)(H)	123.1070	1.392	2	123.1070	1.937	2	123.1070	1.937	2	124.0592	4.900	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C-3:N-3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCH)(NCC)	C(CC[6a]N)(CCC)(H)	N(CC[6a]C)(CCHH)(CCH)	C(C[6a]C[6a]2)(CCH)(NCC)	C(CC[6a]N)(CCC)(H)	N(CC[6a]C)(CCHH)(CCH)	127.6450	0.000	1	127.6450	0.000	1	125.7845	6.923	2	124.0850	4.580	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C-3:N-3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCH)(NCC)	C(CC[6a]N)(COW)(H)	N(CC[6a]C)(CCHH)(CCO)	C(C[6a]C[6a]2)(CCH)(NCC)	C(CC[6a]N)(COW)(H)	N(CC[6a]C)(CCHH)(CCO)	123.9240	0.000	1	123.9240	0.000	1	125.7845	6.923	2	124.0850	4.580	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C-3:Br-1:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]Br)(NCC)	C(C[6a]C[6a]2)(CC[6a]N)(Br)	N(CC[6a]C)(CH3)(CCO)	C(C[6a]C[6a]2)(CC[6a]Br)(NCC)	C(C[6a]C[6a]2)(CC[6a]N)(Br)	N(CC[6a]C)(CH3)(CCO)	122.4540	0.530	2	122.4540	0.281	2	122.4540	0.281	2	124.0850	4.580	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(NCC)	C(C[6a]C[6a]2)(CC[6a]N)(H)	N(CC[6a]C)(CH3)(CCO)	C(C[6a]C[6a]2)(CC[6a]H)(NCC)	C(C[6a]C[6a]2)(CC[6a]N)(H)	N(CC[6a]C)(CH3)(CCO)	123.9480	0.000	1	123.9480	0.000	1	123.9480	0.000	1	124.0850	4.580	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C-3:N-3:	C-3:C-3:Cl-1:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(CClC)(NCC)	C(CC[6a]N)2(Cl)	N(CC[6a]C)(CH3)2	C(C[6a]C[6a]2)(CClC)(NCC)	C(CC[6a]N)2(Cl)	N(CC[6a]C)(CH3)2	122.2760	0.000	1	122.2760	0.000	1	122.2760	0.000	1	122.4850	0.864	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C-3:N-3:	C-3:C-3:H-1:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(CCH)(NCC)	C(CC[6a]N)(CC[6a]O)(H)	N(CC[6a]C)(CCHH)2	C(C[6a]C[6a]2)(CCH)(NCC)	C(CC[6a]N)(CC[6a]O)(H)	N(CC[6a]C)(CCHH)2	123.3960	0.000	1	123.3960	0.000	1	122.3110	0.956	5	122.4850	0.864	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C-3:N-3:	C-3:C-3:H-1:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(CCH)(NCC)	C(CC[6a]N)(CCrN)(H)	N(CC[6a]C)(CH3)2	C(C[6a]C[6a]2)(CCH)(NCC)	C(CC[6a]N)(CCrN)(H)	N(CC[6a]C)(CH3)2	121.5490	0.000	1	121.5490	0.000	1	122.3110	0.956	5	122.4850	0.864	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C-3:N-3:	C-3:C-3:H-1:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(CCH)(NCC)	C(CC[6a]N)(CHN)(H)	N(CC[6a]C)(CH3)2	C(C[6a]C[6a]2)(CCH)(NCC)	C(CC[6a]N)(CHN)(H)	N(CC[6a]C)(CH3)2	122.2033	1.008	3	122.2033	1.016	3	122.3110	0.956	5	122.4850	0.864	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	3:4:4:	N[5]-3:C-3:N-3:	C[6a]-3:C-3:H-1:	C-3:S-4:C-4:	C(N[5]C[5]O[5])(CC[6a]H)(NCS)	C(C[6a]C[6a]2)(CN[5]N)(H)	N(CN[5]C)(SCOO)(CH3)	C(N[5]C[5]O[5])(CC[6a]H)(NCS)	C(C[6a]C[6a]2)(CN[5]N)(H)	N(CN[5]C)(SCOO)(CH3)	123.5640	0.000	1	123.5640	0.000	1	123.5640	0.000	1	122.4850	0.864	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:N-3:	C-3:C-3:F-1:	C-4:C-3:H-1:	C(CCF)(CHS)(NCH)	C(CCC)(CCN)(F)	N(CC[6a]HH)(CCC)(H)	C(CCF)(CHS)(NCH)	C(CCC)(CCN)(F)	N(CC[6a]HH)(CCC)(H)	116.6120	0.000	1	116.6120	0.000	1	116.6120	0.000	1	119.0613	24.375	51	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)(CCN)(NCH)	C(CCH)(CCN)(H)	N(CC3)(CCC)(H)	C(CCH)(CCN)(NCH)	C(CCH)(CCN)(H)	N(CC3)(CCC)(H)	122.6450	0.718	3	122.6450	0.515	3	122.1395	3.992	15	119.0613	24.375	51	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)(CCO)(NCH)	C(CCH)(CCN)(H)	N(CC3)(CCC)(H)	C(CCH)(CCO)(NCH)	C(CCH)(CCN)(H)	N(CC3)(CCC)(H)	123.5510	0.000	1	123.5510	0.000	1	122.1395	3.992	15	119.0613	24.375	51	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)(CCO)(NCH)	C(CCH)(CCN)(H)	N(CCCH)(CCC)(H)	C(CCH)(CCO)(NCH)	C(CCH)(CCN)(H)	N(CCCH)(CCC)(H)	121.5320	0.941	3	121.5320	0.886	3	122.1395	3.992	15	119.0613	24.375	51	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)(CCO)(NCH)	C(CCH)(CCN)(H)	N(CCHH)(CCC)(H)	C(CCH)(CCO)(NCH)	C(CCH)(CCN)(H)	N(CCHH)(CCC)(H)	121.3158	0.921	4	121.3158	0.848	4	122.1395	3.992	15	119.0613	24.375	51	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)(CCO)(NCH)	C(CCH)(CCN)(H)	N(CH3)(CCC)(H)	C(CCH)(CCO)(NCH)	C(CCH)(CCN)(H)	N(CH3)(CCC)(H)	120.8107	0.505	3	120.8107	0.255	3	122.1395	3.992	15	119.0613	24.375	51	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)(COO)(NCH)	C(CCC)(CCN)(H)	N(CC[6a]CH)(CCC)(H)	C(CCH)(COO)(NCH)	C(CCC)(CCN)(H)	N(CC[6a]CH)(CCC)(H)	128.3160	0.000	1	128.3160	0.000	1	122.1395	3.992	15	119.0613	24.375	51	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:N-3:	C-3:C-3:O-1:	C-4:C-3:H-1:	C(CCH)(CCO)(NCH)	C(CCH)(CCN)(O)	N(CC3)(CCC)(H)	C(CCH)(CCO)(NCH)	C(CCH)(CCN)(O)	N(CC3)(CCC)(H)	109.5310	0.000	1	109.5310	0.000	1	111.7138	0.679	11	119.0613	24.375	51	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:N-3:	C-3:C-3:O-1:	C-4:C-3:H-1:	C(CCH)(CCO)(NCH)	C(CCH)(CCN)(O)	N(CCCH)(CCC)(H)	C(CCH)(CCO)(NCH)	C(CCH)(CCN)(O)	N(CCCH)(CCC)(H)	111.5977	0.127	3	111.5977	0.016	3	111.7138	0.679	11	119.0613	24.375	51	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:N-3:	C-3:C-3:O-1:	C-4:C-3:H-1:	C(CCH)(CCO)(NCH)	C(CCH)(CCN)(O)	N(CCHH)(CCC)(H)	C(CCH)(CCO)(NCH)	C(CCH)(CCN)(O)	N(CCHH)(CCC)(H)	111.7875	0.139	4	111.7875	0.019	4	111.7138	0.679	11	119.0613	24.375	51	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:N-3:	C-3:C-3:O-1:	C-4:C-3:H-1:	C(CCH)(CCO)(NCH)	C(CCH)(CCN)(O)	N(CH3)(CCC)(H)	C(CCH)(CCO)(NCH)	C(CCH)(CCN)(O)	N(CH3)(CCC)(H)	112.4593	0.323	3	112.4593	0.105	3	111.7138	0.679	11	119.0613	24.375	51	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:N-3:	C[6a]-3:C-3:H-1:	C-4:C-3:H-1:	C(CC[6a]H)(COO)(NCH)	C(C[6a]C[6a]N[6a])(CCN)(H)	N(CC3)(CCC)(H)	C(CC[6a]H)(COO)(NCH)	C(C[6a]C[6a]N[6a])(CCN)(H)	N(CC3)(CCC)(H)	122.0350	0.000	1	122.0350	0.000	1	122.0350	0.000	1	119.0613	24.375	51	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:N-3:	C[6a]-3:C-3:O-1:	S-4:C-3:H-1:	C(CC[6a]2)(CC[6a]O)(NHS)	C(C[6a]C[6a]2)(CCN)(O)	N(SC[6a]OO)(CCC)(H)	C(CC[6a]2)(CC[6a]O)(NHS)	C(C[6a]C[6a]2)(CCN)(O)	N(SC[6a]OO)(CCC)(H)	115.5360	0.000	1	115.5360	0.000	1	115.5360	0.000	1	119.0613	24.375	51	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:1:	C-3:N-3:N-3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)(NCH)2	C(CC[6a]O)(CNN)(H)	N(CCHH)(CCN)(H)	C(CCH)(NCH)2	C(CC[6a]O)(CNN)(H)	N(CCHH)(CCN)(H)	119.8732	0.428	4	119.8732	0.183	4	119.8732	0.183	4	119.0613	24.375	51	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:1:	C-3:N-3:N-3:	C-3:N-3:H-1:	C-4:C-3:H-1:	C(CHN)(NCC)(NCH)	C(CNN)(NOO)(H)	N(CH3)(CCN)(H)	C(CHN)(NCC)(NCH)	C(CNN)(NOO)(H)	N(CH3)(CCN)(H)	121.2530	0.000	1	121.2530	0.000	1	120.0917	2.141	3	119.0613	24.375	51	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:1:	C-3:N-3:N-3:	C-3:N-3:H-1:	C-4:C-3:H-1:	C(CHN)(NCH)2	C(CNN)(NOO)(H)	N(CCHH)(CCN)(H)	C(CHN)(NCH)2	C(CNN)(NOO)(H)	N(CCHH)(CCN)(H)	120.5740	0.000	1	120.5740	0.000	1	120.0917	2.141	3	119.0613	24.375	51	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:1:	C-3:N-3:N-3:	C-3:N-3:H-1:	C-4:C-3:H-1:	C(CHN)(NCH)2	C(CNN)(NOO)(H)	N(CH3)(CCN)(H)	C(CHN)(NCH)2	C(CNN)(NOO)(H)	N(CH3)(CCN)(H)	118.4480	0.000	1	118.4480	0.000	1	120.0917	2.141	3	119.0613	24.375	51	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:1:	C[5]-3:C-3:N-3:	C[6a]-3:C-3:O-1:	S-4:C-3:H-1:	C(C[5]C[5]N[5])(CC[6a]O)(NHS)	C(C[6a]C[6a]2)(CC[5]N)(O)	N(SC[6a]OO)(CC[5]C)(H)	C(C[5]C[5]N[5])(CC[6a]O)(NHS)	C(C[6a]C[6a]2)(CC[5]N)(O)	N(SC[6a]OO)(CC[5]C)(H)	120.4910	0.774	2	120.4910	0.598	2	120.4910	0.598	2	119.0613	24.375	51	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NCH)	C(CC[5a]O)(CC[6a]N)(H)	N(CC[6a]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C(CC[5a]O)(CC[6a]N)(H)	N(CC[6a]HH)(CC[6a]C)(H)	122.3510	0.000	1	122.3510	0.000	1	122.2177	0.014	3	119.0613	24.375	51	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NCH)	C(CC[6a]N)(CC[6a]O)(H)	N(CC[6a]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C(CC[6a]N)(CC[6a]O)(H)	N(CC[6a]HH)(CC[6a]C)(H)	122.1510	0.045	2	122.1510	0.002	2	122.2177	0.014	3	119.0613	24.375	51	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C(C[6a]C[6a]2)(CCH)(NCO)	C(CC[6a]H)(CC[6a]N)(H)	N(CC[6a]HH)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CCH)(NCO)	C(CC[6a]H)(CC[6a]N)(H)	N(CC[6a]HH)(CC[6a]C)(O)	117.8960	0.000	1	117.8960	0.000	1	117.8960	0.000	1	119.0613	24.375	51	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:N-3:C-3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(CCH)	C(CC[6a]N)(CC[6a]O)(H)	N(C[6]C[6]2H)(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[6]H)(CCH)	C(CC[6a]N)(CC[6a]O)(H)	N(C[6]C[6]2H)(CC[6a]C)(H)	122.8750	0.000	1	122.8750	0.000	1	122.8430	0.002	2	119.0613	24.375	51	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:N-3:C-3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C(C[6a]C[6a]2)(NC[6]H)(CCH)	C(CC[6a]N)(CNO)(H)	N(C[6]C[6]2H)(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[6]H)(CCH)	C(CC[6a]N)(CNO)(H)	N(C[6]C[6]2H)(CC[6a]C)(H)	122.8110	0.000	1	122.8110	0.000	1	122.8430	0.002	2	119.0613	24.375	51	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CCH)(CCO)	C(CCH)(CCN)(H)	N(C[5]C[5]2Fe)(CCC)(H)	C(NC[5]H)(CCH)(CCO)	C(CCH)(CCN)(H)	N(C[5]C[5]2Fe)(CCC)(H)	121.1710	0.000	1	121.1710	0.000	1	121.1710	0.000	1	119.0613	24.375	51	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCH)(CCO)	C(CCH)(CCN)(H)	N(C[6]C[6]2H)(CCC)(H)	C(NC[6]H)(CCH)(CCO)	C(CCH)(CCN)(H)	N(C[6]C[6]2H)(CCC)(H)	122.6060	0.000	1	122.6060	0.000	1	122.6060	0.000	1	119.0613	24.375	51	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:1:	N-3:C-3:C-3:	C-3:C-3:O-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CCH)(CCO)	C(CCH)(CCN)(O)	N(C[5]C[5]2Fe)(CCC)(H)	C(NC[5]H)(CCH)(CCO)	C(CCH)(CCN)(O)	N(C[5]C[5]2Fe)(CCC)(H)	110.9570	0.000	1	110.9570	0.000	1	110.9570	0.000	1	119.0613	24.375	51	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:1:	N-3:C-3:C-3:	C-3:C-3:O-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCH)(CCO)	C(CCH)(CCN)(O)	N(C[6]C[6]2H)(CCC)(H)	C(NC[6]H)(CCH)(CCO)	C(CCH)(CCN)(O)	N(C[6]C[6]2H)(CCC)(H)	111.2620	0.000	1	111.2620	0.000	1	111.2620	0.000	1	119.0613	24.375	51	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:1:	N-3:C-3:N-3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCH)(NHH)	C(CNN)2(H)	N(C[6]C[6]2H)(CCN)(H)	C(NC[6]H)(CCH)(NHH)	C(CNN)2(H)	N(C[6]C[6]2H)(CCN)(H)	126.6717	0.405	3	126.6717	0.164	3	126.6717	0.164	3	119.0613	24.375	51	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:2:	C-3:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C(CCH)(COO)(NCO)	C(CCN)(CCO)(H)	N(CH3)(CCC)(OC)	C(CCH)(COO)(NCO)	C(CCN)(CCO)(H)	N(CH3)(CCC)(OC)	124.1260	0.000	1	124.1260	0.000	1	124.1260	0.000	1	124.3970	0.147	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:2:	N[5]-3:C-3:N-3:	C[6a]-3:C-3:I-1:	S-4:C-3:C-2:	C(N[5]C[5]2)(CC[6a]I)(NCS)	C(C[6a]C[6a]2)(CN[5]N)(I)	N(SC[6a]OO)(CN[5]C)(CC[6a])	C(N[5]C[5]2)(CC[6a]I)(NCS)	C(C[6a]C[6a]2)(CN[5]N)(I)	N(SC[6a]OO)(CN[5]C)(CC[6a])	124.6680	0.000	1	124.6680	0.000	1	124.6680	0.000	1	124.3970	0.147	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:3:	C-3:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C(CCH)2(NCC)	C(CCH)(CCN)(H)	N(CC3)(CCC)(CCO)	C(CCH)2(NCC)	C(CCH)(CCN)(H)	N(CC3)(CCC)(CCO)	122.5800	0.000	1	122.5800	0.000	1	121.2050	3.781	2	119.6220	6.891	8	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:3:	C-3:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C(CCH)2(NCC)	C(CCN)(CHS)(H)	N(CC3)(CCC)(CCO)	C(CCH)2(NCC)	C(CCN)(CHS)(H)	N(CC3)(CCC)(CCO)	119.8300	0.000	1	119.8300	0.000	1	121.2050	3.781	2	119.6220	6.891	8	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:3:	C-3:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:N-3:	C(CCH)(CCO)(NCN)	C(CCH)(CCN)(H)	N(CCHH)(CCC)(NCH)	C(CCH)(CCO)(NCN)	C(CCH)(CCN)(H)	N(CCHH)(CCC)(NCH)	120.0880	0.000	1	120.0880	0.000	1	120.0880	0.000	1	119.6220	6.891	8	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:3:	C-3:C-3:N-3:	C-3:C-3:O-1:	C-4:C-3:N-3:	C(CCH)(CCO)(NCN)	C(CCH)(CCN)(O)	N(CCHH)(CCC)(NCH)	C(CCH)(CCO)(NCN)	C(CCH)(CCN)(O)	N(CCHH)(CCC)(NCH)	116.8070	0.000	1	116.8070	0.000	1	116.8070	0.000	1	119.6220	6.891	8	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:3:	C-3:C-3:N-3:	N-3:C-3:O-1:	C-4:C-3:C-3:	C(CC[6a]O)(CNO)(NCC)	C(NC[6]H)(CCN)(O)	N(CC[6a]HH)(CC[6a]O)(CCC)	C(CC[6a]O)(CNO)(NCC)	C(NC[6]H)(CCN)(O)	N(CC[6a]HH)(CC[6a]O)(CCC)	118.7150	0.000	1	118.7150	0.000	1	118.7150	0.000	1	119.6220	6.891	8	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCH)(NCC)	C(CC[6a]N)(CCH)(H)	N(CC[6a]HH)(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CCH)(NCC)	C(CC[6a]N)(CCH)(H)	N(CC[6a]HH)(CC[6a]C)(CCO)	124.1250	0.000	1	124.1250	0.000	1	121.0110	19.394	2	119.6220	6.891	8	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCH)(NCC)	C(CC[6a]N)(CC[6a]O)(H)	N(CC[6a]HH)(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CCH)(NCC)	C(CC[6a]N)(CC[6a]O)(H)	N(CC[6a]HH)(CC[6a]C)(CCO)	117.8970	0.000	1	117.8970	0.000	1	121.0110	19.394	2	119.6220	6.891	8	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C-3:H-1:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(NCC)	C(C[6a]C[6a]2)(CC[6a]N)(H)	N(CC[6a]HH)(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CC[6a]H)(NCC)	C(C[6a]C[6a]2)(CC[6a]N)(H)	N(CC[6a]HH)(CC[6a]C)(CCO)	116.9340	0.000	1	116.9340	0.000	1	116.9340	0.000	1	119.6220	6.891	8	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:4:	C[6]-3:C-3:N-3:	C-3:C-3:H-1:	S-4:C-3:C-4:	C(C[6]N[6]O[6])(CCH)(NCS)	C(CC[6a]H)(CC[6]N)(H)	N(SC[6a]OO)(CC[6]C)(CCHH)	C(C[6]N[6]O[6])(CCH)(NCS)	C(CC[6a]H)(CC[6]N)(H)	N(SC[6a]OO)(CC[6]C)(CCHH)	118.3420	0.000	1	118.3420	0.000	1	118.3420	0.000	1	120.4047	3.367	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:C-3:N-3:	C-3:C-3:H-1:	S-4:C-3:C-4:	C(C[6a]C[6a]2)(CCH)(NCS)	C(CC[6a]C)(CC[6a]N)(H)	N(SC[6a]OO)(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CCH)(NCS)	C(CC[6a]C)(CC[6a]N)(H)	N(SC[6a]OO)(CC[6a]C)(CCHH)	121.0160	0.000	1	121.0160	0.000	1	121.0160	0.000	1	120.4047	3.367	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:3:4:	C[6a]-3:N-3:C-3:	C-3:C-3:H-1:	C[6]-4:C-3:C-4:	C(C[6a]C[6a]2)(NC[6]C)(CCH)	C(CC[6a]N)(CCO)(H)	N(C[6]C[6]2H)(CC[6a]C)(CH3)	C(C[6a]C[6a]2)(NC[6]C)(CCH)	C(CC[6a]N)(CCO)(H)	N(C[6]C[6]2H)(CC[6a]C)(CH3)	121.8560	0.000	1	121.8560	0.000	1	121.8560	0.000	1	120.4047	3.367	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:4:3:	C-3:C-3:N-3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCC)(CCH)(NCC)	C(CC[5a]H)(CCN)(H)	N(CH3)2(CCC)	C(CCC)(CCH)(NCC)	C(CC[5a]H)(CCN)(H)	N(CH3)2(CCC)	121.1560	0.000	1	121.1560	0.000	1	118.9204	9.396	5	119.4948	10.878	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:4:3:	C-3:C-3:N-3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)2(NCC)	C(CCN)(CCO)(H)	N(CCHH)(CH3)(CCC)	C(CCH)2(NCC)	C(CCN)(CCO)(H)	N(CCHH)(CH3)(CCC)	120.7010	0.000	1	120.7010	0.000	1	118.9204	9.396	5	119.4948	10.878	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:4:3:	C-3:C-3:N-3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)2(NCC)	C(CCN)(CHN)(H)	N(CH3)2(CCC)	C(CCH)2(NCC)	C(CCN)(CHN)(H)	N(CH3)2(CCC)	121.1770	0.000	1	121.1770	0.000	1	118.9204	9.396	5	119.4948	10.878	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:4:3:	C-3:C-3:N-3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)2(NCC)	C(CC[5]C)(CCN)(H)	N(CCHH)(CH3)(CCC)	C(CCH)2(NCC)	C(CC[5]C)(CCN)(H)	N(CCHH)(CH3)(CCC)	117.3090	0.000	1	117.3090	0.000	1	118.9204	9.396	5	119.4948	10.878	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:4:3:	C-3:C-3:N-3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)2(NCC)	C(CSiH)(CCN)(H)	N(CH3)2(CCC)	C(CCH)2(NCC)	C(CSiH)(CCN)(H)	N(CH3)2(CCC)	114.2590	0.000	1	114.2590	0.000	1	118.9204	9.396	5	119.4948	10.878	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:4:3:	C-3:C-3:N-3:	C-3:C-3:H-1:	S-4:C-4:C-3:	C(CCH)(CCO)(NCS)	C(CCN)(COO)(H)	N(SC[6a]OO)(CCHH)(CCC)	C(CCH)(CCO)(NCS)	C(CCN)(COO)(H)	N(SC[6a]OO)(CCHH)(CCC)	124.9180	0.000	1	124.9180	0.000	1	124.9180	0.000	1	119.4948	10.878	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:4:3:	C-3:C-3:N-3:	C-3:N-3:H-1:	C-4:C-4:C-3:	C(CCrO)(CHN)(NCC)	C(CCN)(NCC)(H)	N(CCHH)2(CCC)	C(CCrO)(CHN)(NCC)	C(CCN)(NCC)(H)	N(CCHH)2(CCC)	125.2280	0.000	1	125.2280	0.000	1	125.2280	0.000	1	119.4948	10.878	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:4:3:	C-3:C-3:N-3:	C[6a]-3:C-3:Br-1:	S-4:C-4:C-3:	C(CC[6a]Br)(CC[6a]O)(NCS)	C(C[6a]C[6a]2)(CCN)(Br)	N(SC[6a]OO)(CH3)(CCC)	C(CC[6a]Br)(CC[6a]O)(NCS)	C(C[6a]C[6a]2)(CCN)(Br)	N(SC[6a]OO)(CH3)(CCC)	122.5720	0.000	1	122.5720	0.000	1	122.5720	0.000	1	119.4948	10.878	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:4:3:	C-3:C-3:N-3:	C[6a]-3:C-3:O-1:	S-4:C-4:C-3:	C(CC[6a]Br)(CC[6a]O)(NCS)	C(C[6a]C[6a]2)(CCN)(O)	N(SC[6a]OO)(CH3)(CCC)	C(CC[6a]Br)(CC[6a]O)(NCS)	C(C[6a]C[6a]2)(CCN)(O)	N(SC[6a]OO)(CH3)(CCC)	113.6460	0.000	1	113.6460	0.000	1	113.6460	0.000	1	119.4948	10.878	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:4:3:	C-3:N-3:N-3:	C-3:C-3:Br-1:	C-4:C-4:C-3:	C(CBrC)(NCC)2	C(CCN)(CNN)(Br)	N(CH3)2(CCN)	C(CBrC)(NCC)2	C(CCN)(CNN)(Br)	N(CH3)2(CCN)	118.0045	2.016	2	118.0045	4.064	2	118.0045	4.064	2	119.4948	10.878	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:4:3:	C-3:N-3:N-3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCH)(NCC)(NCH)	C(CCO)(CNN)(H)	N(CH3)2(CCN)	C(CCH)(NCC)(NCH)	C(CCO)(CNN)(H)	N(CH3)2(CCN)	123.8570	0.000	1	123.8570	0.000	1	123.8570	0.000	1	119.4948	10.878	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:4:3:	C-3:N-3:N-3:	C-3:N-3:H-1:	C-4:C-4:C-3:	C(CHN)(NCC)(NCH)	C(CNN)(NOO)(H)	N(CC[6a]HH)(CCHH)(CCN)	C(CHN)(NCC)(NCH)	C(CNN)(NOO)(H)	N(CC[6a]HH)(CCHH)(CCN)	119.6900	0.000	1	119.6900	0.000	1	119.6900	0.000	1	119.4948	10.878	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:4:3:	C-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C-4:S-4:C-3:	C(CC[6a]H)(NCH)(NCS)	C(C[6a]C[6a]2)(CNN)(H)	N(CC[6a]HH)(SC[6a]OO)(CCN)	C(CC[6a]H)(NCH)(NCS)	C(C[6a]C[6a]2)(CNN)(H)	N(CC[6a]HH)(SC[6a]OO)(CCN)	123.4970	0.000	1	123.4970	0.000	1	123.4970	0.000	1	119.4948	10.878	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:4:3:	C-3:N-3:N-3:	C[6a]-3:C-3:H-1:	S-4:C-4:C-3:	C(CC[6a]H)(NCS)2	C(C[6a]C[6a]2)(CNN)(H)	N(SCOO)(CH3)(CCN)	C(CC[6a]H)(NCS)2	C(C[6a]C[6a]2)(CNN)(H)	N(SCOO)(CH3)(CCN)	122.7490	0.000	1	122.7490	0.000	1	122.7490	0.000	1	119.4948	10.878	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:4:3:	C-3:N-3:N-3:	N-3:C-3:Cl-1:	C-4:C-4:C-3:	C(CClN)(NFeO)(NCC)	C(NFeO)(CNN)(Cl)	N(CCHH)2(CCN)	C(CClN)(NFeO)(NCC)	C(NFeO)(CNN)(Cl)	N(CCHH)2(CCN)	124.9610	0.000	1	124.9610	0.000	1	124.9610	0.000	1	119.4948	10.878	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:4:3:	C[4]-3:C-3:N-3:	C[6a]-3:C-3:H-1:	C-4:S-4:C-3:	C(C[4]C[4]2)(CC[6a]H)(NCS)	C(C[6a]C[6a]2)(CC[4]N)(H)	N(CC[6a]HH)(SC[6a]OO)(CC[4]C)	C(C[4]C[4]2)(CC[6a]H)(NCS)	C(C[6a]C[6a]2)(CC[4]N)(H)	N(CC[6a]HH)(SC[6a]OO)(CC[4]C)	122.0530	0.000	1	122.0530	0.000	1	122.0530	0.000	1	119.4948	10.878	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:4:3:	C[6a]-3:C-3:N-3:	C-3:C-3:H-1:	S-4:S-4:C-3:	C(C[6a]C[6a]2)(CCH)(NSS)	C(CC[6a]N)(CC[6a]O)(H)	N(SC[6a]OO)2(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(NSS)	C(CC[6a]N)(CC[6a]O)(H)	N(SC[6a]OO)2(CC[6a]C)	117.1620	0.000	1	117.1620	0.000	1	117.1620	0.000	1	119.4948	10.878	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:4:3:	N-3:C-3:N-3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(NC[6a]Al)(CCH)(NCC)	C(CNN)2(H)	N(CH3)2(CCN)	C(NC[6a]Al)(CCH)(NCC)	C(CNN)2(H)	N(CH3)2(CCN)	117.9483	0.396	3	117.9483	0.157	3	117.6732	2.685	11	119.4948	10.878	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:4:3:	N-3:C-3:N-3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(NC[6a]Ir)(CCH)(NCC)	C(CNN)2(H)	N(CH3)2(CCN)	C(NC[6a]Ir)(CCH)(NCC)	C(CNN)2(H)	N(CH3)2(CCN)	116.5570	3.965	2	116.5570	15.725	2	117.6732	2.685	11	119.4948	10.878	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:4:3:	N-3:C-3:N-3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(NC[6a]Rh)(CCH)(NCC)	C(CNN)2(H)	N(CH3)2(CCN)	C(NC[6a]Rh)(CCH)(NCC)	C(CNN)2(H)	N(CH3)2(CCN)	119.4015	0.066	2	119.4015	0.004	2	117.6732	2.685	11	119.4948	10.878	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:4:3:	N-3:C-3:N-3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(NC[6a]Zn)(CCH)(NCC)	C(CNN)2(H)	N(CH3)2(CCN)	C(NC[6a]Zn)(CCH)(NCC)	C(CNN)2(H)	N(CH3)2(CCN)	117.1740	0.305	2	117.1740	0.093	2	117.6732	2.685	11	119.4948	10.878	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:1:	4:4:3:	N-3:C-3:N-3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(NSiSn)(CCH)(NCC)	C(CNN)2(H)	N(CH3)2(CCN)	C(NSiSn)(CCH)(NCC)	C(CNN)2(H)	N(CH3)2(CCN)	117.1475	0.982	2	117.1475	0.965	2	117.6732	2.685	11	119.4948	10.878	29	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:2:	3:1:1:	C-3:C-3:N-3:	C-3:C-3:C-2:	C-3:H-1:H-1:	C(CCC)2(NHH)	C(CC[6a]C)(CCN)(CN)	N(CCC)(H)2	C(CCC)2(NHH)	C(CC[6a]C)(CCN)(CN)	N(CCC)(H)2	116.8910	0.000	1	116.8910	0.000	1	116.8910	0.000	1	120.0836	11.585	10	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:2:	3:1:1:	C-3:C-3:N-3:	C-3:C-3:S-2:	C-3:O-1:O-1:	C(CCS)(CSS)(NOO)	C(CCl2)(CCN)(SC)	N(CCC)(O)2	C(CCS)(CSS)(NOO)	C(CCl2)(CCN)(SC)	N(CCC)(O)2	111.7630	0.000	1	111.7630	0.000	1	111.7630	0.000	1	120.0836	11.585	10	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:2:	3:1:1:	C-3:C-3:N-3:	N[6]-3:C-3:S-2:	C-3:O-1:O-1:	C(CN[6]S)(CClC)(NOO)	C(N[6]C[6]2)(CCN)(SC)	N(CCC)(O)2	C(CN[6]S)(CClC)(NOO)	C(N[6]C[6]2)(CCN)(SC)	N(CCC)(O)2	120.3297	0.473	3	120.3297	0.223	3	120.3297	0.223	3	120.0836	11.585	10	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:2:	3:1:1:	C-3:N-3:N-3:	C-3:N-3:N-2:	C-3:H-1:H-1:	C(CNN)(NHH)(NHO)	C(CNN)(NHH)(NO)	N(CCN)(H)2	C(CNN)(NHH)(NHO)	C(CNN)(NHH)(NO)	N(CCN)(H)2	121.3960	0.000	1	121.3960	0.000	1	121.3960	0.000	1	120.0836	11.585	10	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:2:	3:1:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C-3:C-2:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]C)(NHH)	C(C[6a]C[6a]N[6a])(CC[6a]N)(CN)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[6a]C)(NHH)	C(C[6a]C[6a]N[6a])(CC[6a]N)(CN)	N(CC[6a]C)(H)2	122.3325	0.056	2	122.3325	0.003	2	122.3325	0.003	2	120.0836	11.585	10	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:2:	3:1:1:	N-3:C-3:N-3:	N-3:C-3:N-2:	C-3:H-1:H-1:	C(NCoO)(CNN)(NHH)	C(NCoO)(CNN)(NH)	N(CCN)(H)2	C(NCoO)(CNN)(NHH)	C(NCoO)(CNN)(NH)	N(CCN)(H)2	122.5660	0.215	2	122.5660	0.046	2	122.5660	0.046	2	120.0836	11.585	10	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:2:	3:2:1:	C-3:N-3:N-3:	C-3:N-3:N-2:	C-3:O-2:H-1:	C(CNN)(NHH)(NHO)	C(CNN)(NHH)(NO)	N(CCN)(OH)(H)	C(CNN)(NHH)(NHO)	C(CNN)(NHH)(NO)	N(CCN)(OH)(H)	115.9350	0.000	1	115.9350	0.000	1	115.9350	0.000	1	115.9350	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:2:	3:3:1:	C-3:C-3:N-3:	C[6a]-3:C-3:O-2:	C-3:C-3:H-1:	C(CC[6a]O)(COO)(NCH)	C(C[6a]C[6a]2)(CCN)(OC)	N(CCC)(CCO)(H)	C(CC[6a]O)(COO)(NCH)	C(C[6a]C[6a]2)(CCN)(OC)	N(CCC)(CCO)(H)	120.6800	0.000	1	120.6800	0.000	1	120.6800	0.000	1	124.1603	21.079	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C-3:N-3:	C-3:C-3:C-2:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(NCH)	C(CC[6a]N)(COO)(CN)	N(CC[5a]O)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCC)(NCH)	C(CC[6a]N)(COO)(CN)	N(CC[5a]O)(CC[6a]C)(H)	119.1670	0.000	1	119.1670	0.000	1	119.1640	0.000	2	124.1603	21.079	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C-3:N-3:	C-3:C-3:C-2:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(NCH)	C(CC[6a]N)(COO)(CN)	N(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCC)(NCH)	C(CC[6a]N)(COO)(CN)	N(CC[6a]C)(CC[6a]O)(H)	119.1610	0.000	1	119.1610	0.000	1	119.1640	0.000	2	124.1603	21.079	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:N-3:C-3:	C-3:C-3:S-2:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCS)	C(CC[6a]N)(COO)(SC)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCS)	C(CC[6a]N)(COO)(SC)	N(C[6a]C[6a]2)(CC[6a]C)(H)	128.7763	0.430	3	128.7763	0.185	3	128.7763	0.185	3	124.1603	21.079	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:N-3:C-3:	C-3:N-3:C-2:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCN)	C(CC[6a]N)(NOO)(CN)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCN)	C(CC[6a]N)(NOO)(CN)	N(C[6a]C[6a]2)(CC[6a]C)(H)	123.7850	0.000	1	123.7850	0.000	1	123.7850	0.000	1	124.1603	21.079	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:2:	3:3:2:	C-3:C-3:N-3:	C-3:C-3:S-2:	C-3:C-3:N-2:	C(CCS)(COO)(NCN)	C(CCN)(COO)(SC)	N(CCC)(CCO)(NC)	C(CCS)(COO)(NCN)	C(CCN)(COO)(SC)	N(CCC)(CCO)(NC)	121.7450	0.000	1	121.7450	0.000	1	121.7450	0.000	1	121.7450	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:2:	3:3:3:	N-3:C-3:N-3:	C-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(CCO)(NCC)	C(CNN)2(OH)	N(C[6a]C[6a]2)2(CCN)	C(NC[6a]2)(CCO)(NCC)	C(CNN)2(OH)	N(C[6a]C[6a]2)2(CCN)	119.8420	0.972	2	119.8420	0.944	2	119.8420	0.944	2	119.8420	0.944	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:2:	3:4:4:	C[5]-3:C-3:N-3:	C[5]-3:C-3:N-2:	C-3:C-4:C-4:	C(C[5]C[5,6a]N[5])(CC[5]N)(NCC)	C(C[5]C[5,6a]N[5])(CC[5]N)(NC)	N(CC[5]C)(CCHH)2	C(C[5]C[5,6a]N[5])(CC[5]N)(NCC)	C(C[5]C[5,6a]N[5])(CC[5]N)(NC)	N(CC[5]C)(CCHH)2	117.0970	0.000	1	117.0970	0.000	1	117.0970	0.000	1	117.0970	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:2:	4:3:1:	C-3:C-3:N-3:	C-3:C-3:N-2:	C-4:C-3:H-1:	C(CCH)(CCN)(NCH)	C(CCH)(CCN)(NC)	N(CC3)(CCC)(H)	C(CCH)(CCN)(NCH)	C(CCH)(CCN)(NC)	N(CC3)(CCC)(H)	110.7905	0.439	2	110.7905	0.193	2	111.4167	1.273	3	116.1022	28.742	6	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:2:	4:3:1:	C-3:C-3:N-3:	C-3:C-3:N-2:	C-4:C-3:H-1:	C(CCH)(CCN)(NCH)	C(CCH)(CCN)(NS)	N(CC3)(CCC)(H)	C(CCH)(CCN)(NCH)	C(CCH)(CCN)(NS)	N(CC3)(CCC)(H)	112.6690	0.000	1	112.6690	0.000	1	111.4167	1.273	3	116.1022	28.742	6	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:2:	4:3:1:	C-3:N-3:N-3:	C[6a]-3:C-3:C-2:	C-4:C-3:H-1:	C(CC[6a]C)(NCH)2	C(C[6a]C[6a]2)(CNN)(CN)	N(CCCH)(CCN)(H)	C(CC[6a]C)(NCH)2	C(C[6a]C[6a]2)(CNN)(CN)	N(CCCH)(CCN)(H)	121.9600	1.093	2	121.9600	1.195	2	121.9600	1.195	2	116.1022	28.742	6	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:2:	4:3:1:	N-3:C-3:N-3:	N-3:C-3:N-2:	C-4:C-3:H-1:	C(NPdO)(CNN)(NCH)	C(NPdO)(CNN)(NC)	N(CCHH)(CCN)(H)	C(NPdO)(CNN)(NCH)	C(NPdO)(CNN)(NC)	N(CCHH)(CCN)(H)	118.4430	0.000	1	118.4430	0.000	1	118.4430	0.000	1	116.1022	28.742	6	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:2:	4:3:3:	C-3:C-3:N-3:	C[6a]-3:C-3:O-2:	C-4:C-3:C-3:	C(CC[6a]O)(CNO)(NCC)	C(C[6a]C[6a]2)(CCN)(OH)	N(CC[6a]HH)(CC[6a]O)(CCC)	C(CC[6a]O)(CNO)(NCC)	C(C[6a]C[6a]2)(CCN)(OH)	N(CC[6a]HH)(CC[6a]O)(CCC)	121.7250	0.000	1	121.7250	0.000	1	121.7250	0.000	1	121.7250	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:2:	4:4:3:	C-3:C-3:N-3:	C-3:C-3:N-2:	C-4:C-4:C-3:	C(CCN)(CHN)(NCC)	C(CCN)(CCO)(NN)	N(CH3)2(CCC)	C(CCN)(CHN)(NCC)	C(CCN)(CCO)(NN)	N(CH3)2(CCC)	117.4340	0.000	1	117.4340	0.000	1	117.4340	0.000	1	120.8020	8.838	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:2:	4:4:3:	N-3:C-3:N-3:	C-3:C-3:O-2:	C-4:C-4:C-3:	C(NC[6a]2)(CCO)(NCC)	C(CNN)2(OH)	N(CCCH)2(CCN)	C(NC[6a]2)(CCO)(NCC)	C(CNN)2(OH)	N(CCCH)2(CCN)	122.4860	0.813	2	122.4860	0.661	2	122.4860	0.661	2	120.8020	8.838	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:1:1:	C-3:C-3:N-3:	C-3:N-3:N-3:	C-3:O-1:O-1:	C(CNN)(CNS)(NOO)	C(CCN)(NCC)2	N(CCC)(O)2	C(CNN)(CNS)(NOO)	C(CCN)(NCC)2	N(CCC)(O)2	113.5390	0.000	1	113.5390	0.000	1	114.0700	0.564	2	120.9616	5.500	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:1:1:	C-3:C-3:N-3:	C-3:N-3:N-3:	C-3:O-1:O-1:	C(CNN)(CNS)(NOO)	C(CCN)(NCH)2	N(CCC)(O)2	C(CNN)(CNS)(NOO)	C(CCN)(NCH)2	N(CCC)(O)2	114.6010	0.000	1	114.6010	0.000	1	114.0700	0.564	2	120.9616	5.500	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:1:1:	C-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-1:O-1:	C(CC[6a]2)(CCN)(NOO)	C(C[6a]C[6a]2)2(CCN)	N(CCC)(O)2	C(CC[6a]2)(CCN)(NOO)	C(C[6a]C[6a]2)2(CCN)	N(CCC)(O)2	120.5390	0.000	1	120.5390	0.000	1	120.5390	0.000	1	120.9616	5.500	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:1:1:	C-3:C-3:N-3:	N-3:N-3:C-3:	C-3:O-1:O-1:	C(CNN)(CNS)(NOO)	C(NC[6a]C)(NC[6a]H)(CCN)	N(CCC)(O)2	C(CNN)(CNS)(NOO)	C(NC[6a]C)(NC[6a]H)(CCN)	N(CCC)(O)2	114.0210	0.000	1	114.0210	0.000	1	114.0210	0.000	1	120.9616	5.500	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:1:1:	C-3:C-3:N-3:	N[6]-3:C-3:C-3:	C-3:O-1:O-1:	C(CN[6]C)(COO)(NOO)	C(N[6]C[6]2)(CC[6a]O)(CCN)	N(CCC)(O)2	C(CN[6]C)(COO)(NOO)	C(N[6]C[6]2)(CC[6a]O)(CCN)	N(CCC)(O)2	117.0330	0.000	1	117.0330	0.000	1	117.0330	0.000	1	120.9616	5.500	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:1:1:	C-3:C[6a]-3:N-3:	N[5a]-3:C[6a]-3:C-3:	C-3:H-1:H-1:	C(CC[6a]N[5a])(C[6a]C[6a]2)(NHH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]N)	N(CC[6a]C)(H)2	C(CC[6a]N[5a])(C[6a]C[6a]2)(NHH)	C(N[5a]C[5a,6a]2)(C[6a]C[6a]2)(CC[6a]N)	N(CC[6a]C)(H)2	122.4780	0.000	1	122.4780	0.000	1	122.4780	0.000	1	120.9616	5.500	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:1:1:	C-3:N-3:N-3:	C-3:N-3:N-3:	C-3:H-1:H-1:	C(CNN)(NCH)(NHH)	C(CNN)(NOO)2	N(CCN)(H)2	C(CNN)(NCH)(NHH)	C(CNN)(NOO)2	N(CCN)(H)2	122.0190	0.064	2	122.0190	0.004	2	121.4016	0.503	7	120.9616	5.500	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:1:1:	C-3:N-3:N-3:	C-3:N-3:N-3:	C-3:H-1:H-1:	C(CNN)(NHH)(NHN)	C(CNN)(NOO)2	N(CCN)(H)2	C(CNN)(NHH)(NHN)	C(CNN)(NOO)2	N(CCN)(H)2	122.3800	0.000	1	122.3800	0.000	1	121.4016	0.503	7	120.9616	5.500	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:1:1:	C-3:N-3:N-3:	C-3:N-3:N-3:	C-3:H-1:H-1:	C(CNN)(NHH)2	C(CNN)(NOO)2	N(CCN)(H)2	C(CNN)(NHH)2	C(CNN)(NOO)2	N(CCN)(H)2	120.8482	0.153	4	120.8482	0.024	4	121.4016	0.503	7	120.9616	5.500	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:1:1:	C-3:N-3:N-3:	C-3:N-3:N-3:	C-3:O-1:O-1:	C(CNN)(NOO)2	C(CNN)(NCH)(NHH)	N(CCN)(O)2	C(CNN)(NOO)2	C(CNN)(NCH)(NHH)	N(CCN)(O)2	122.1983	2.102	4	122.1983	4.420	4	120.8031	3.963	18	120.9616	5.500	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:1:1:	C-3:N-3:N-3:	C-3:N-3:N-3:	C-3:O-1:O-1:	C(CNN)(NOO)2	C(CNN)(NHH)(NHN)	N(CCN)(O)2	C(CNN)(NOO)2	C(CNN)(NHH)(NHN)	N(CCN)(O)2	121.6900	1.649	2	121.6900	2.719	2	120.8031	3.963	18	120.9616	5.500	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:1:1:	C-3:N-3:N-3:	C-3:N-3:N-3:	C-3:O-1:O-1:	C(CNN)(NOO)2	C(CNN)(NHH)2	N(CCN)(O)2	C(CNN)(NOO)2	C(CNN)(NHH)2	N(CCN)(O)2	121.8030	2.373	4	121.8030	5.632	4	120.8031	3.963	18	120.9616	5.500	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:1:1:	C-3:N-3:N-3:	C-3:N-3:N-3:	C-3:O-1:O-1:	C(CNN)(NOO)2	C(CNN)(NOO)2	N(CCN)(O)2	C(CNN)(NOO)2	C(CNN)(NOO)2	N(CCN)(O)2	119.3839	0.848	8	119.3839	0.718	8	120.8031	3.963	18	120.9616	5.500	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:1:1:	C-3:N-3:N-3:	C[5]-3:C-3:N-3:	C-3:H-1:H-1:	C(CC[5]N)(NHH)2	C(C[5]N[5]2)(CNN)(NOO)	N(CCN)(H)2	C(CC[5]N)(NHH)2	C(C[5]N[5]2)(CNN)(NOO)	N(CCN)(H)2	120.6261	1.969	10	120.6261	3.876	10	120.6261	3.876	10	120.9616	5.500	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:1:1:	C-3:N-3:N-3:	C[5a]-3:C-3:N-3:	C-3:H-1:H-1:	C(CC[5a]N)(NHH)2	C(C[5a]N[5a]2)(CNN)(NOO)	N(CCN)(H)2	C(CC[5a]N)(NHH)2	C(C[5a]N[5a]2)(CNN)(NOO)	N(CCN)(H)2	120.7245	1.785	8	120.7245	3.186	8	120.7245	3.186	8	120.9616	5.500	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:1:1:	C-3:N-3:N-3:	C[6a]-3:C-3:N-3:	C-3:H-1:H-1:	C(CC[6a]N)(NHH)2	C(C[6a]N[6a]2)(CNN)(NOO)	N(CCN)(H)2	C(CC[6a]N)(NHH)2	C(C[6a]N[6a]2)(CNN)(NOO)	N(CCN)(H)2	122.0550	3.653	2	122.0550	13.344	2	122.0550	13.344	2	120.9616	5.500	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:1:1:	C-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-1:O-1:	C(CC[6a]2)(NOO)2	C(C[6a]C[6a]2)2(CNN)	N(CCN)(O)2	C(CC[6a]2)(NOO)2	C(C[6a]C[6a]2)2(CNN)	N(CCN)(O)2	124.6345	0.701	2	124.6345	0.491	2	124.6345	0.491	2	120.9616	5.500	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:1:1:	C[5]-3:C-3:N-3:	C-3:N-3:N-3:	C-3:O-1:O-1:	C(C[5]N[5]2)(CNN)(NOO)	C(CC[5]N)(NHH)2	N(CC[5]C)(O)2	C(C[5]N[5]2)(CNN)(NOO)	C(CC[5]N)(NHH)2	N(CC[5]C)(O)2	120.5876	0.642	5	120.5876	0.412	5	120.5876	0.412	5	120.9616	5.500	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:1:1:	C[5a]-3:C-3:N-3:	C-3:N-3:N-3:	C-3:O-1:O-1:	C(C[5a]N[5a]2)(CNN)(NOO)	C(CC[5a]N)(NHH)2	N(CC[5a]C)(O)2	C(C[5a]N[5a]2)(CNN)(NOO)	C(CC[5a]N)(NHH)2	N(CC[5a]C)(O)2	120.7600	1.164	4	120.7600	1.355	4	120.7600	1.355	4	120.9616	5.500	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:N-3:	C-3:C-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCC)(NHH)	C(CC[6a]N)(CCO)(COO)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCC)(NHH)	C(CC[6a]N)(CCO)(COO)	N(CC[6a]C)(H)2	122.3240	0.000	1	122.3240	0.000	1	123.0844	0.935	5	120.9616	5.500	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:N-3:	C-3:C-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCC)(NHH)	C(CC[6a]N)(CNN)(CNO)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCC)(NHH)	C(CC[6a]N)(CNN)(CNO)	N(CC[6a]C)(H)2	123.2745	1.003	4	123.2745	1.006	4	123.0844	0.935	5	120.9616	5.500	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:N-3:	C-3:N-3:N-3:	C-3:O-1:O-1:	C(C[6a]N[6a]2)(CNN)(NOO)	C(CC[6a]N)(NHH)2	N(CC[6a]C)(O)2	C(C[6a]N[6a]2)(CNN)(NOO)	C(CC[6a]N)(NHH)2	N(CC[6a]C)(O)2	119.7540	0.000	1	119.7540	0.000	1	119.7540	0.000	1	120.9616	5.500	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]C)(NHH)	C(C[6a]C[6a]2)(CC[6a]N)(CC[6a]O)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[6a]C)(NHH)	C(C[6a]C[6a]2)(CC[6a]N)(CC[6a]O)	N(CC[6a]C)(H)2	122.1175	0.582	2	122.1175	0.339	2	122.1175	0.339	2	120.9616	5.500	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:N-3:	N[5]-3:C-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CN[5]C)(NHH)	C(N[5]C[5]2)(CC[6a]N)(COO)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CN[5]C)(NHH)	C(N[5]C[5]2)(CC[6a]N)(COO)	N(CC[6a]C)(H)2	124.0195	2.741	2	124.0195	7.516	2	124.0195	7.516	2	120.9616	5.500	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:1:1:	N-3:C-3:N-3:	N-3:C-3:N-3:	C-3:H-1:H-1:	C(NCoO)(CNN)(NHH)	C(NCoO)(CNN)(NHH)	N(CCN)(H)2	C(NCoO)(CNN)(NHH)	C(NCoO)(CNN)(NHH)	N(CCN)(H)2	122.8330	0.791	2	122.8330	0.625	2	122.2603	1.296	3	120.9616	5.500	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:1:1:	N-3:C-3:N-3:	N-3:C-3:N-3:	C-3:H-1:H-1:	C(NNiO)(CNN)(NHH)	C(NNiO)(CNN)(NHH)	N(CCN)(H)2	C(NNiO)(CNN)(NHH)	C(NNiO)(CNN)(NHH)	N(CCN)(H)2	121.1150	0.000	1	121.1150	0.000	1	122.2603	1.296	3	120.9616	5.500	75	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:2:1:	C-3:N-3:N-3:	C-3:N-3:N-3:	C-3:N-2:H-1:	C(CNN)(NHH)(NHN)	C(CNN)(NOO)2	N(CCN)(NC)(H)	C(CNN)(NHH)(NHN)	C(CNN)(NOO)2	N(CCN)(NC)(H)	119.7480	0.000	1	119.7480	0.000	1	119.7480	0.000	1	119.7480	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:3:1:	C-3:N-3:C-3:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]O)(NC[6a]H)(CCC)	C(CC[6a]O)(CCN)(COO)	N(C[6a]C[6a]N[6a])(CCC)(H)	C(CC[6a]O)(NC[6a]H)(CCC)	C(CC[6a]O)(CCN)(COO)	N(C[6a]C[6a]N[6a])(CCC)(H)	122.6100	0.000	2	122.6100	0.000	2	122.2057	0.490	3	120.2632	3.041	17	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:3:1:	C-3:N-3:C-3:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]O)(NC[6a]H)(CCC)	C(CC[6a]O)2(CCN)	N(C[6a]C[6a]N[6a])(CCC)(H)	C(CC[6a]O)(NC[6a]H)(CCC)	C(CC[6a]O)2(CCN)	N(C[6a]C[6a]N[6a])(CCC)(H)	121.3970	0.000	1	121.3970	0.000	1	122.2057	0.490	3	120.2632	3.041	17	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:3:1:	C-3:N-3:N-3:	C-3:N-3:N-3:	C-3:C-3:H-1:	C(CNN)(NCH)(NHH)	C(CNN)(NOO)2	N(CCN)(CCO)(H)	C(CNN)(NCH)(NHH)	C(CNN)(NOO)2	N(CCN)(CCO)(H)	119.5800	0.781	2	119.5800	0.609	2	119.5800	0.609	2	120.2632	3.041	17	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:3:1:	C-3:N-3:N-3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]C)(NC[6a]H)(NCH)	C(C[6a]C[6a]2)(CC[6a]2)(CNN)	N(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]C)(NC[6a]H)(NCH)	C(C[6a]C[6a]2)(CC[6a]2)(CNN)	N(C[6a]C[6a]2)(CCN)(H)	118.9890	0.000	1	118.9890	0.000	1	118.9890	0.000	1	120.2632	3.041	17	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C-3:N-3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(C[5a]C[5a]N[5a])(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CC[5a]N)(COO)	N(C[6a]C[6a]2)(CC[5a]C)(H)	C(C[5a]C[5a]N[5a])(CC[6a]C)(NC[6a]H)	C(C[6a]C[6a]2)(CC[5a]N)(COO)	N(C[6a]C[6a]2)(CC[5a]C)(H)	122.1490	0.000	1	122.1490	0.000	1	122.1490	0.000	1	120.2632	3.041	17	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C-3:C-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(NCH)	C(CC[6a]N)(CC[6a]O)2	N(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCC)(NCH)	C(CC[6a]N)(CC[6a]O)2	N(CC[6a]C)(CC[6a]O)(H)	119.8100	0.000	1	119.8100	0.000	1	119.8100	0.000	1	120.2632	3.041	17	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CC[6a]N)(CHO)	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CC[6a]N)(CHO)	N(CC[6a]C)(CCO)(H)	119.7675	0.308	2	119.7675	0.095	2	119.7675	0.095	2	120.2632	3.041	17	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C-3:N-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]N[6a])(CC[6a]N)(NC[5a]H)	C(C[6a]C[6a]N[6a])(CC[6a]N)(NC[5a]H)	N(C[5a]N[5a]S[5a])(CC[6a]C)(H)	C(C[6a]C[6a]N[6a])(CC[6a]N)(NC[5a]H)	C(C[6a]C[6a]N[6a])(CC[6a]N)(NC[5a]H)	N(C[5a]N[5a]S[5a])(CC[6a]C)(H)	119.7510	0.000	1	119.7510	0.000	1	119.7510	0.000	1	120.2632	3.041	17	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:N-3:C-3:	C-3:C-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[5a]H)(CCC)	C(CC[6a]N)(CCO)2	N(C[5a]C[5a]N[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[5a]H)(CCC)	C(CC[6a]N)(CCO)2	N(C[5a]C[5a]N[5a])(CC[6a]C)(H)	119.8620	0.000	1	119.8620	0.000	1	119.8620	0.000	1	120.2632	3.041	17	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:3:1:	N-3:C-3:C-3:	N-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C(NC[6a]O)(CCN)(COO)	C(NC[6a]O)(CCN)(COO)	N(C[6a]C[6a]2)(CCC)(O)	C(NC[6a]O)(CCN)(COO)	C(NC[6a]O)(CCN)(COO)	N(C[6a]C[6a]2)(CCC)(O)	117.8310	0.372	2	117.8310	0.138	2	117.8310	0.138	2	120.2632	3.041	17	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:3:1:	N-3:C-3:N-3:	N-3:C-3:N-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CNN)(NCH)	C(NC[6a]H)(CNN)(NCH)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(CNN)(NCH)	C(NC[6a]H)(CNN)(NCH)	N(C[6a]C[6a]2)(CCN)(H)	121.6470	3.499	2	121.6470	12.241	2	121.6470	12.241	2	120.2632	3.041	17	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:3:1:	N-3:N-3:C-3:	C-3:C-3:N-3:	C[6a]-3:C-3:H-1:	C(NC[6a]C)(NC[6a]H)(CCN)	C(CNN)(CNS)(NOO)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]C)(NC[6a]H)(CCN)	C(CNN)(CNS)(NOO)	N(C[6a]C[6a]2)(CCN)(H)	119.6460	0.000	1	119.6460	0.000	1	119.6460	0.000	1	120.2632	3.041	17	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:N-3:C-3:	C[6a]-3:N-3:C-3:	C[6a]-3:C-3:Si-4:	C(C[6a]C[6a]2)(NC[6a]Si)(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Si)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]C)(SiC3)	C(C[6a]C[6a]2)(NC[6a]Si)(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]Si)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]C)(SiC3)	120.8235	0.248	2	120.8235	0.062	2	120.8235	0.062	2	120.8235	0.062	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:4:1:	C[6]-3:C-3:N-3:	C-3:C-3:C-3:	C-3:C-4:H-1:	C(C[6]C[6]2)(CCC)(NCH)	C(CC[6]N)(CCH)(COO)	N(CC[6]C)(CC3)(H)	C(C[6]C[6]2)(CCC)(NCH)	C(CC[6]N)(CCH)(COO)	N(CC[6]C)(CC3)(H)	119.4120	0.000	1	119.4120	0.000	1	119.4120	0.000	1	121.1955	6.362	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:N-3:	C-3:C-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCC)(NCH)	C(CC[6a]N)(CC[6a]O)(CCC)	N(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCC)(NCH)	C(CC[6a]N)(CC[6a]O)(CCC)	N(CC[6a]C)(CCHH)(H)	122.9790	0.000	1	122.9790	0.000	1	122.9790	0.000	1	121.1955	6.362	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:4:3:	N-3:C-3:C-3:	C-3:C-3:C-3:	C[6a]-3:P-4:C-3:	C(NC[6a]P)(CCC)(COO)	C(CFeO)(CCN)(COO)	N(C[6a]C[6a]2)(PFeOO)(CCC)	C(NC[6a]P)(CCC)(COO)	C(CFeO)(CCN)(COO)	N(C[6a]C[6a]2)(PFeOO)(CCC)	124.6790	0.000	1	124.6790	0.000	1	124.6790	0.000	1	122.1790	12.500	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	3:4:3:	N-3:N-3:C-3:	C-3:C-3:N-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(NC[6a]H)(CCN)	C(CNN)(CNS)(NOO)	N(C[6a]C[6a]2)(CH3)(CCN)	C(NC[6a]C)(NC[6a]H)(CCN)	C(CNN)(CNS)(NOO)	N(C[6a]C[6a]2)(CH3)(CCN)	119.6790	0.000	1	119.6790	0.000	1	119.6790	0.000	1	122.1790	12.500	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	4:3:1:	C-3:C-3:N-3:	C-3:C-3:C-3:	C-4:C-3:H-1:	C(CCC)(COO)(NCH)	C(CC[6a]C)(CCN)(COO)	N(CCHH)(CCC)(H)	C(CCC)(COO)(NCH)	C(CC[6a]C)(CCN)(COO)	N(CCHH)(CCC)(H)	123.3160	0.000	1	123.3160	0.000	1	123.3160	0.000	1	119.8633	5.686	27	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	4:3:1:	C-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(CC[6a]2)(CC[6a]O)(NHS)	C(C[6a]C[6a]2)2(CCN)	N(SC[6a]OO)(CCC)(H)	C(CC[6a]2)(CC[6a]O)(NHS)	C(C[6a]C[6a]2)2(CCN)	N(SC[6a]OO)(CCC)(H)	122.2150	0.000	1	122.2150	0.000	1	122.2150	0.000	1	119.8633	5.686	27	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	4:3:1:	C-3:N-3:N-3:	C-3:C-3:C-3:	C-4:C-3:H-1:	C(CCC)(NCH)2	C(CNN)3	N(CCCH)(CCN)(H)	C(CCC)(NCH)2	C(CNN)3	N(CCCH)(CCN)(H)	120.2850	2.270	2	120.2850	5.152	2	120.2850	5.152	2	119.8633	5.686	27	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	4:3:1:	C-3:N-3:N-3:	C-3:C-3:N-3:	C-4:C-3:H-1:	C(CCN)(NCH)2	C(CNN)(CNS)(NOO)	N(CH3)(CCN)(H)	C(CCN)(NCH)2	C(CNN)(CNS)(NOO)	N(CH3)(CCN)(H)	118.4790	1.901	2	118.4790	3.613	2	118.4790	3.613	2	119.8633	5.686	27	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	4:3:1:	C-3:N-3:N-3:	C[6a]-3:C-3:C-3:	C-4:C-3:H-1:	C(CC[6a]C)(NC[6a]H)(NCH)	C(C[6a]C[6a]2)(CC[6a]2)(CNN)	N(CCHH)(CCN)(H)	C(CC[6a]C)(NC[6a]H)(NCH)	C(C[6a]C[6a]2)(CC[6a]2)(CNN)	N(CCHH)(CCN)(H)	118.6930	0.000	1	118.6930	0.000	1	118.6930	0.000	1	119.8633	5.686	27	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	4:3:1:	C-3:N-3:N-3:	N[5a]-3:N[5]-3:C-3:	C-4:C-3:H-1:	C(CN[5a]N[5])(NAlC)(NCH)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CNN)	N(CCCH)(CCN)(H)	C(CN[5a]N[5])(NAlC)(NCH)	C(N[5a]C[5a]N[5a])(N[5]C[5]N[5])(CNN)	N(CCCH)(CCN)(H)	118.3320	0.455	2	118.3320	0.207	2	118.3320	0.207	2	119.8633	5.686	27	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:N-3:	C-3:C-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(NCH)	C(CC[6a]N)(CCO)(COO)	N(CC[6a]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCC)(NCH)	C(CC[6a]N)(CCO)(COO)	N(CC[6a]HH)(CC[6a]C)(H)	122.2920	0.000	1	122.2920	0.000	1	122.1440	0.044	2	119.8633	5.686	27	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C-3:N-3:	C-3:C-3:C-3:	C-4:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(NCH)	C(CC[6a]N)(CC[6a]O)(CCO)	N(CC[6a]HH)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCC)(NCH)	C(CC[6a]N)(CC[6a]O)(CCO)	N(CC[6a]HH)(CC[6a]C)(H)	121.9960	0.000	1	121.9960	0.000	1	122.1440	0.044	2	119.8633	5.686	27	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	4:3:1:	N-3:C-3:N-3:	N-3:C-3:N-3:	C-4:C-3:H-1:	C(NC[6a]H)(CNN)(NCH)	C(NC[6a]H)(CNN)(NCH)	N(CC3)(CCN)(H)	C(NC[6a]H)(CNN)(NCH)	C(NC[6a]H)(CNN)(NCH)	N(CC3)(CCN)(H)	117.7340	8.109	2	117.7340	65.758	2	119.6003	6.642	16	119.8633	5.686	27	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	4:3:1:	N-3:C-3:N-3:	N-3:C-3:N-3:	C-4:C-3:H-1:	C(NNiO)(CNN)(NCH)	C(NNiO)(CNN)(NCH)	N(CCHH)(CCN)(H)	C(NNiO)(CNN)(NCH)	C(NNiO)(CNN)(NCH)	N(CCHH)(CCN)(H)	120.1397	0.588	6	120.1397	0.346	6	119.6003	6.642	16	119.8633	5.686	27	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	4:3:1:	N-3:C-3:N-3:	N-3:C-3:N-3:	C-4:C-3:H-1:	C(NPdO)(CNN)(NCH)	C(NPdO)(CNN)(NCH)	N(CCHH)(CCN)(H)	C(NPdO)(CNN)(NCH)	C(NPdO)(CNN)(NCH)	N(CCHH)(CCN)(H)	119.6624	1.828	8	119.6624	3.342	8	119.6003	6.642	16	119.8633	5.686	27	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	4:4:3:	C-3:C-3:N-3:	C-3:C-3:C-3:	C-4:C-4:C-3:	C(CCC)(CCH)(NCC)	C(CCrC)(CCN)(COO)	N(CH3)2(CCC)	C(CCC)(CCH)(NCC)	C(CCrC)(CCN)(COO)	N(CH3)2(CCC)	119.7390	0.000	1	119.7390	0.000	1	119.7390	0.000	1	118.3587	4.623	38	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	4:4:3:	C-3:C-3:N-3:	C[6a]-3:C-3:C-3:	S-4:C-4:C-3:	C(CC[6a]C)(CCC)(NCS)	C(C[6a]C[6a,6a]C[6a])(CCC)(CCN)	N(SC[6a]OO)(CH3)(CCC)	C(CC[6a]C)(CCC)(NCS)	C(C[6a]C[6a,6a]C[6a])(CCC)(CCN)	N(SC[6a]OO)(CH3)(CCC)	117.9780	1.838	2	117.9780	3.380	2	117.9780	3.380	2	118.3587	4.623	38	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	4:4:3:	C-3:C-3:N-3:	C[6a]-3:C-3:C-3:	S-4:S-4:C-3:	C(CC[6a]C)(CHO)(NSS)	C(C[6a]C[6a]2)(CCH)(CCN)	N(SC[6a]OO)2(CCC)	C(CC[6a]C)(CHO)(NSS)	C(C[6a]C[6a]2)(CCH)(CCN)	N(SC[6a]OO)2(CCC)	120.5130	0.000	1	120.5130	0.000	1	120.5130	0.000	1	118.3587	4.623	38	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	4:4:3:	C-3:N-3:N-3:	C-3:C-3:N-3:	C-4:C-4:C-3:	C(CCN)(NCC)2	C(CNN)(CNS)(NOO)	N(CH3)2(CCN)	C(CCN)(NCC)2	C(CNN)(CNS)(NOO)	N(CH3)2(CCN)	118.9915	0.515	2	118.9915	0.266	2	118.9915	0.266	2	118.3587	4.623	38	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	4:4:3:	C-3:N-3:N-3:	C-3:N-3:N-3:	C-4:C-4:C-3:	C(CNN)(NCC)2	C(CNN)(NCC)2	N(CH3)2(CCN)	C(CNN)(NCC)2	C(CNN)(NCC)2	N(CH3)2(CCN)	117.3709	1.439	26	117.3709	2.070	26	117.3709	2.070	26	118.3587	4.623	38	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:3:	4:4:3:	C-3:N-3:N-3:	O-3:C-3:C-3:	C-4:C-4:C-3:	C(CCO)(NCC)2	C(OLi2)(CNN)2	N(CH3)2(CCN)	C(CCO)(NCC)2	C(OLi2)(CNN)2	N(CH3)2(CCN)	121.9660	0.958	6	121.9660	0.917	6	121.9660	0.917	6	118.3587	4.623	38	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C-3:C-4:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]C)(NHH)	C(C[6a]N[6a]O[6a])(CC[6a]N)(CH3)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[6a]C)(NHH)	C(C[6a]N[6a]O[6a])(CC[6a]N)(CH3)	N(CC[6a]C)(H)2	123.0890	0.000	1	123.0890	0.000	1	123.0890	0.000	1	124.9390	6.845	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C-3:S-4:	C-3:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]S)(NHH)	C(C[6a]C[6a]2)(CC[6a]N)(SCOO)	N(CC[6a]C)(H)2	C(C[6a]C[6a,6a]C[6a])(CC[6a]S)(NHH)	C(C[6a]C[6a]2)(CC[6a]N)(SCOO)	N(CC[6a]C)(H)2	126.7890	0.000	1	126.7890	0.000	1	126.7890	0.000	1	124.9390	6.845	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C-3:N-3:	C-3:C-3:C-4:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(NCH)	C(CC[6a]N)(CC[6a]O)(CCHH)	N(CC[6a]C)(CNO)(H)	C(C[6a]C[6a]2)(CCC)(NCH)	C(CC[6a]N)(CC[6a]O)(CCHH)	N(CC[6a]C)(CNO)(H)	121.2890	0.692	2	121.2890	0.478	2	121.2890	0.478	2	121.0207	0.455	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C-3:C-4:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CC[6a]N)(CCHH)	N(CC[6a]C)(COO)(H)	C(C[6a]C[6a]2)(CC[6a]C)(NCH)	C(C[6a]C[6a]2)(CC[6a]N)(CCHH)	N(CC[6a]C)(COO)(H)	120.4840	0.000	1	120.4840	0.000	1	120.4840	0.000	1	121.0207	0.455	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C-3:N-3:	C[6a]-3:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(NC[6a]2)	C(C[6a]C[6a]2)(CC[6a]N)(CCHH)	N(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(NC[6a]2)	C(C[6a]C[6a]2)(CC[6a]N)(CCHH)	N(C[6a]C[6a]2)2(CC[6a]C)	120.7650	0.000	1	120.7650	0.000	1	120.7650	0.000	1	120.7650	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:4:1:	3:3:1:	C[6a]-3:C-3:N-3:	C-3:C-4:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NCH)	C(CC[6a]N)(CCHH)(H)	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C(CC[6a]N)(CCHH)(H)	N(CC[6a]C)(CCO)(H)	121.7430	0.000	1	121.7430	0.000	1	121.6323	2.637	3	121.5592	1.779	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:4:1:	3:3:1:	C[6a]-3:C-3:N-3:	C-3:C-4:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NCH)	C(CC[6a]N)(CF3)(H)	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C(CC[6a]N)(CF3)(H)	N(CC[6a]C)(CCO)(H)	123.1980	0.000	1	123.1980	0.000	1	121.6323	2.637	3	121.5592	1.779	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:4:1:	3:3:1:	C[6a]-3:C-3:N-3:	C-3:C-4:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NCH)	C(CC[6a]N)(CHHN)(H)	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C(CC[6a]N)(CHHN)(H)	N(CC[6a]C)(CCO)(H)	119.9560	0.000	1	119.9560	0.000	1	121.6323	2.637	3	121.5592	1.779	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:4:1:	3:3:1:	C[6a]-3:N-3:C-3:	C-3:C-4:H-1:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C(CC[6a]N)(CHPP)(H)	N(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C(CC[6a]N)(CHPP)(H)	N(C[6a]C[6a]2)(CC[6a]C)(H)	121.3400	0.000	1	121.3400	0.000	1	121.3400	0.000	1	121.5592	1.779	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:4:1:	3:3:3:	C[6a]-3:N-3:C-3:	C-3:C-4:H-1:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	C(CC[6a]N)(CH3)(H)	N(C[6a]C[6a]2)(CC[6a]C)(CNO)	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	C(CC[6a]N)(CH3)(H)	N(C[6a]C[6a]2)(CC[6a]C)(CNO)	120.7250	0.000	1	120.7250	0.000	1	120.7250	0.000	1	120.7250	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:4:1:	3:4:3:	C[6a]-3:C-3:N-3:	C-3:C-4:H-1:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCH)(NCC)	C(CC[6a]N)(CH3)(H)	N(CC[6a]C)(CH3)(CNO)	C(C[6a]C[6a]2)(CCH)(NCC)	C(CC[6a]N)(CH3)(H)	N(CC[6a]C)(CH3)(CNO)	119.8910	0.000	1	119.8910	0.000	1	118.5897	1.883	3	119.5987	5.328	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:4:1:	3:4:3:	C[6a]-3:C-3:N-3:	C-3:C-4:H-1:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCH)(NCC)	C(CC[6a]N)(CH3)(H)	N(CC[6a]C)(CH3)(COO)	C(C[6a]C[6a]2)(CCH)(NCC)	C(CC[6a]N)(CH3)(H)	N(CC[6a]C)(CH3)(COO)	117.9390	1.107	2	117.9390	1.226	2	118.5897	1.883	3	119.5987	5.328	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:4:1:	3:4:3:	N[5]-3:N-3:C-3:	C-3:C-4:H-1:	C[6a]-3:S-4:C-3:	C(N[5]C[5]O[5])(NC[6a]S)(CCH)	C(CN[5]N)(CCHH)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CN[5]C)	C(N[5]C[5]O[5])(NC[6a]S)(CCH)	C(CN[5]N)(CCHH)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CN[5]C)	122.6260	0.000	1	122.6260	0.000	1	122.6260	0.000	1	119.5987	5.328	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:4:1:	4:3:1:	C[6a]-3:C-3:N-3:	C-3:C-4:H-1:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NHS)	C(CC[6a]N)(CCCH)(H)	N(SC[6a]OO)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)(NHS)	C(CC[6a]N)(CCCH)(H)	N(SC[6a]OO)(CC[6a]C)(H)	121.8030	0.000	1	121.8030	0.000	1	121.8030	0.000	1	121.8030	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:4:1:	4:3:3:	C[6a]-3:C-3:N-3:	C-3:C-4:H-1:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCH)(NCC)	C(CC[6a]N)(CH3)(H)	N(CC[6a]CH)(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CCH)(NCC)	C(CC[6a]N)(CH3)(H)	N(CC[6a]CH)(CC[6a]C)(CCO)	123.3840	0.000	1	123.3840	0.000	1	123.3840	0.000	1	123.3840	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:4:1:	4:4:3:	C[5]-3:C-3:N-3:	C-3:C-4:H-1:	C-4:S-4:C-3:	C(C[5]C[5]2)(CCH)(NCS)	C(CC[5]N)(CH3)(H)	N(CC[6a]HH)(SC[6a]OO)(CC[5]C)	C(C[5]C[5]2)(CCH)(NCS)	C(CC[5]N)(CH3)(H)	N(CC[6a]HH)(SC[6a]OO)(CC[5]C)	120.6870	0.000	1	120.6870	0.000	1	120.6870	0.000	1	120.6870	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:4:3:	3:1:1:	C-3:C-3:N-3:	C-3:C-4:C-3:	C-3:O-1:O-1:	C(COsH)(CCC)(NOO)	C(CSiC)(CH3)(CCN)	N(CCC)(O)2	C(COsH)(CCC)(NOO)	C(CSiC)(CH3)(CCN)	N(CCC)(O)2	117.7400	0.000	1	117.7400	0.000	1	117.7400	0.000	1	122.0505	37.161	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:4:3:	3:1:1:	C[6a]-3:C-3:N-3:	C[6a]-3:S-4:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]S)(NHH)	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]N)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[6a]S)(NHH)	C(C[6a]C[6a]2)(SC[6a]OO)(CC[6a]N)	N(CC[6a]C)(H)2	126.3610	0.000	1	126.3610	0.000	1	126.3610	0.000	1	122.0505	37.161	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:4:3:	3:3:1:	C-3:C-3:N-3:	C-3:C-4:C-3:	C-3:C-3:H-1:	C(CCC)(COO)(NCH)	C(CC[6a]O)(CH3)(CCN)	N(CC[6a]O)(CCC)(H)	C(CCC)(COO)(NCH)	C(CC[6a]O)(CH3)(CCN)	N(CC[6a]O)(CCC)(H)	124.6970	0.000	1	124.6970	0.000	1	124.6970	0.000	1	122.7744	3.340	8	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:4:3:	3:3:1:	C-3:C-3:N-3:	C[6a]-3:C-4:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CN[5]O)(NCH)	C(C[6a]C[6a]2)(CCHH)(CCN)	N(CC[6a]O)(CCC)(H)	C(CC[6a]C)(CN[5]O)(NCH)	C(C[6a]C[6a]2)(CCHH)(CCN)	N(CC[6a]O)(CCC)(H)	121.6140	0.000	1	121.6140	0.000	1	121.8603	3.017	4	122.7744	3.340	8	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:4:3:	3:3:1:	C-3:C-3:N-3:	C[6a]-3:C-4:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(COO)(NCH)	C(C[6a]C[6a]2)(CCHH)(CCN)	N(CC[6a]O)(CCC)(H)	C(CC[6a]C)(COO)(NCH)	C(C[6a]C[6a]2)(CCHH)(CCN)	N(CC[6a]O)(CCC)(H)	119.8020	0.000	1	119.8020	0.000	1	121.8603	3.017	4	122.7744	3.340	8	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:4:3:	3:3:1:	C-3:C-3:N-3:	C[6a]-3:C-4:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(COO)(NCH)	C(C[6a]C[6a]2)(CC[6a]HO)(CCN)	N(CC[6a]O)(CCC)(H)	C(CC[6a]C)(COO)(NCH)	C(C[6a]C[6a]2)(CC[6a]HO)(CCN)	N(CC[6a]O)(CCC)(H)	123.0125	1.449	2	123.0125	2.099	2	121.8603	3.017	4	122.7744	3.340	8	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C-3:N-3:	C-3:C-4:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(NCH)	C(CC[6a]N)(CCHH)(COO)	N(CC[6a]C)(CNO)(H)	C(C[6a]C[6a]2)(CCC)(NCH)	C(CC[6a]N)(CCHH)(COO)	N(CC[6a]C)(CNO)(H)	121.4470	0.000	1	121.4470	0.000	1	121.4470	0.000	1	122.7744	3.340	8	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:4:3:	3:3:1:	N-3:N-3:C-3:	N-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(NNiO)(CCN)	C(NNiO)(CH3)(CNN)	N(C[6a]C[6a]2)(CCN)(H)	C(NC[6a]H)(NNiO)(CCN)	C(NNiO)(CH3)(CNN)	N(C[6a]C[6a]2)(CCN)(H)	124.3050	0.918	2	124.3050	0.842	2	124.3050	0.842	2	122.7744	3.340	8	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:4:3:	3:3:3:	C[6a]-3:N-3:C-3:	C-3:C-4:C-3:	C[5a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(NC[5a]C[6a])(CCC)	C(CC[6a]N)(CCHH)(COO)	N(C[5a]C[5a]2)(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]N[6a])(NC[5a]C[6a])(CCC)	C(CC[6a]N)(CCHH)(COO)	N(C[5a]C[5a]2)(C[6a]C[6a]2)(CC[6a]C)	121.5660	0.000	1	121.5660	0.000	1	121.5660	0.000	1	121.5660	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:4:3:	4:3:4:	C[6a]-3:C-3:N-3:	C-3:C-4:C-3:	S-4:C-3:C-4:	C(C[6a]C[6a]2)(CCC)(NCS)	C(CC[6a]N)(CHHN)(COO)	N(SC[6a]OO)(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CCC)(NCS)	C(CC[6a]N)(CHHN)(COO)	N(SC[6a]OO)(CC[6a]C)(CCHH)	114.2980	0.000	1	114.2980	0.000	1	114.2980	0.000	1	114.2980	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C-3:N-3:	C-3:C-4:C-4:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(NCH)	C(CC[6a]N)(CCHH)(CH3)	N(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCC)(NCH)	C(CC[6a]N)(CCHH)(CH3)	N(CC[6a]C)(CC[6a]O)(H)	119.6080	0.000	1	119.6080	0.000	1	120.0288	0.127	4	120.0288	0.127	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C-3:N-3:	C-3:C-4:C-4:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(NCH)	C(CC[6a]N)(CH3)2	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CCC)(NCH)	C(CC[6a]N)(CH3)2	N(CC[6a]C)(CCO)(H)	120.3560	0.000	1	120.3560	0.000	1	120.0288	0.127	4	120.0288	0.127	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C-3:N-3:	C-3:C-4:C-4:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(NCH)	C(CC[6a]N)(CH3)2	N(CC[6a]C)(CNO)(H)	C(C[6a]C[6a]2)(CCC)(NCH)	C(CC[6a]N)(CH3)2	N(CC[6a]C)(CNO)(H)	120.0755	0.302	2	120.0755	0.091	2	120.0288	0.127	4	120.0288	0.127	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	3:4:4:	4:3:3:	C[6a]-3:C-3:N-3:	C-3:C-4:C-4:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(NCC)	C(CC[6a]N)(CH3)2	N(CC[6a]HH)(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CCC)(NCC)	C(CC[6a]N)(CH3)2	N(CC[6a]HH)(CC[6a]C)(CCO)	120.9380	0.919	2	120.9380	0.845	2	120.9380	0.845	2	120.9380	0.845	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	4:3:1:	3:1:1:	C-3:N-3:N-3:	C[6]-4:C-3:H-1:	C-3:O-1:O-1:	C(CC[6]H)(NCN)(NOO)	C(C[6]C[6]2H)(CNN)(H)	N(CCN)(O)2	C(CC[6]H)(NCN)(NOO)	C(C[6]C[6]2H)(CNN)(H)	N(CCN)(O)2	120.0160	0.000	1	120.0160	0.000	1	120.0160	0.000	1	123.1450	19.581	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	4:3:1:	3:1:1:	C[6a]-3:C-3:N-3:	S-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHS)(NHH)	C(SC[6]OO)(CC[6a]N)(H)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CHS)(NHH)	C(SC[6]OO)(CC[6a]N)(H)	N(CC[6a]C)(H)2	126.2740	0.000	1	126.2740	0.000	1	126.2740	0.000	1	123.1450	19.581	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	4:3:1:	3:2:1:	C-3:C-3:N-3:	C-4:C-3:O-1:	C-3:N-2:O-1:	C(CCO)(COO)(NNO)	C(CH3)(CCN)(O)	N(CCC)(NO)(O)	C(CCO)(COO)(NNO)	C(CH3)(CCN)(O)	N(CCC)(NO)(O)	117.1030	0.000	1	117.1030	0.000	1	117.1030	0.000	1	117.1030	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	4:3:1:	3:3:1:	C-3:C-3:N-3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)(CNO)(NCH)	C(CCCH)(CCN)(H)	N(CCC)(COO)(H)	C(CCH)(CNO)(NCH)	C(CCCH)(CCN)(H)	N(CCC)(COO)(H)	123.2370	0.000	1	123.2370	0.000	1	123.3035	0.009	2	122.6571	11.615	8	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	4:3:1:	3:3:1:	C-3:C-3:N-3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)(CNO)(NCH)	C(CH3)(CCN)(H)	N(CCC)(CCO)(H)	C(CCH)(CNO)(NCH)	C(CH3)(CCN)(H)	N(CCC)(CCO)(H)	123.3700	0.000	1	123.3700	0.000	1	123.3035	0.009	2	122.6571	11.615	8	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	4:3:1:	3:3:1:	C-3:C-3:N-3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(COO)(NCH)	C(C[5]C[5]N[5]H)(CCN)(H)	N(CC[6a]O)(CCC)(H)	C(CC[5]H)(COO)(NCH)	C(C[5]C[5]N[5]H)(CCN)(H)	N(CC[6a]O)(CCC)(H)	122.9430	0.000	1	122.9430	0.000	1	122.9430	0.000	1	122.6571	11.615	8	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	4:3:1:	3:3:1:	C[6a]-3:C-3:N-3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(NCH)	C(C[5]C[5]2H)(CC[6a]N)(H)	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CC[5]H)(NCH)	C(C[5]C[5]2H)(CC[6a]N)(H)	N(CC[6a]C)(CCO)(H)	120.4200	1.601	2	120.4200	2.563	2	120.4200	2.563	2	122.6571	11.615	8	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	4:3:1:	3:3:1:	C[6a]-3:C-3:N-3:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(NCH)	C(C[6]C[6]N[6]H)(CC[6a]N)(H)	N(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CC[6]H)(NCH)	C(C[6]C[6]N[6]H)(CC[6a]N)(H)	N(CC[6a]C)(CCO)(H)	120.4140	1.803	2	120.4140	3.251	2	120.4140	3.251	2	122.6571	11.615	8	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	4:3:1:	3:3:1:	N-3:C-3:C-3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCH)(COO)	C(CC[6a]CH)(CCN)(H)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCH)(COO)	C(CC[6a]CH)(CCN)(H)	N(C[6a]C[6a]2)(CCC)(H)	130.0390	0.000	1	130.0390	0.000	1	130.0390	0.000	1	122.6571	11.615	8	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	4:3:1:	3:3:3:	C-3:N-3:N-3:	C[6]-4:C-3:H-1:	C-3:C-3:N-3:	C(CC[6]H)(NCN)(NOO)	C(C[6]C[6]2H)(CNN)(H)	N(CCN)(COO)(NCH)	C(CC[6]H)(NCN)(NOO)	C(C[6]C[6]2H)(CNN)(H)	N(CCN)(COO)(NCH)	127.4010	0.000	1	127.4010	0.000	1	127.4010	0.000	1	121.6223	33.133	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	4:3:1:	3:3:3:	N-3:C-3:C-3:	C-4:C-3:O-1:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CCO)(COP)	C(CF3)(CCN)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CCC)	C(NC[6a]C)(CCO)(COP)	C(CF3)(CCN)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CCC)	121.5770	0.000	1	121.5770	0.000	1	121.5770	0.000	1	121.6223	33.133	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	4:3:1:	3:3:3:	N-3:C-3:C-3:	P-4:C-3:O-1:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CCO)(COP)	C(PC3)(CCN)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CCC)	C(NC[6a]C)(CCO)(COP)	C(PC3)(CCN)(O)	N(C[6a]C[6a]2)(CC[6a]O)(CCC)	115.8890	0.000	1	115.8890	0.000	1	115.8890	0.000	1	121.6223	33.133	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	4:3:1:	4:3:1:	C-3:C-3:N-3:	C-4:C-3:H-1:	S-4:C-3:H-1:	C(CCH)(COO)(NHS)	C(CC[6a]CH)(CCN)(H)	N(SC[6a]OO)(CCC)(H)	C(CCH)(COO)(NHS)	C(CC[6a]CH)(CCN)(H)	N(SC[6a]OO)(CCC)(H)	124.4710	0.000	1	124.4710	0.000	1	124.4710	0.000	1	123.5307	3.805	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	4:3:1:	4:3:1:	C-3:C-3:N-3:	S-4:C-3:H-1:	C-4:C-3:H-1:	C(CCF)(CHS)(NCH)	C(SC[6a]OO)(CCN)(H)	N(CC[6a]HH)(CCC)(H)	C(CCF)(CHS)(NCH)	C(SC[6a]OO)(CCN)(H)	N(CC[6a]HH)(CCC)(H)	125.7570	0.000	1	125.7570	0.000	1	125.7570	0.000	1	123.5307	3.805	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	4:3:1:	4:3:1:	C[6a]-3:C-3:N-3:	C-4:C-3:H-1:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NHS)	C(CC[6a]C[5]H)(CC[6a]N)(H)	N(SC[6a]OO)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)(NHS)	C(CC[6a]C[5]H)(CC[6a]N)(H)	N(SC[6a]OO)(CC[6a]C)(H)	122.4780	0.000	1	122.4780	0.000	1	122.4780	0.000	1	123.5307	3.805	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	4:3:1:	4:3:1:	C[6a]-3:C-3:N-3:	C[6]-4:C-3:H-1:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]H)(NHS)	C(C[6]C[6]2H)(CC[6a]N)(H)	N(SC[6a]OO)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6]H)(NHS)	C(C[6]C[6]2H)(CC[6a]N)(H)	N(SC[6a]OO)(CC[6a]C)(H)	121.4170	0.000	1	121.4170	0.000	1	121.4170	0.000	1	123.5307	3.805	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	4:3:1:	4:3:3:	C[6a]-3:C-3:N-3:	C[6]-4:C-3:H-1:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CC[6]H)(NCC)	C(C[6]C[6]2H)(CC[6a]N)(H)	N(CC[6a]HH)(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CC[6]H)(NCC)	C(C[6]C[6]2H)(CC[6a]N)(H)	N(CC[6a]HH)(CC[6a]C)(CCO)	119.5170	0.000	1	119.5170	0.000	1	119.5170	0.000	1	118.6205	1.607	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	4:3:1:	4:3:3:	C[6a]-3:C-3:N-3:	S-4:C-3:H-1:	C-4:C-3:C-3:	C(C[6a]C[6a]2)(CHS)(NCC)	C(SC[6a]OO)(CC[6a]N)(H)	N(CC[6a]HH)(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CHS)(NCC)	C(SC[6a]OO)(CC[6a]N)(H)	N(CC[6a]HH)(CC[6a]C)(CCO)	117.7240	0.000	1	117.7240	0.000	1	117.7240	0.000	1	118.6205	1.607	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	4:3:1:	4:4:3:	C-3:C-3:N-3:	C-4:C-3:H-1:	C-4:S-4:C-3:	C(CCH)(COO)(NCS)	C(CCHH)(CCN)(H)	N(CC[6a]HH)(SC[6a]OO)(CCC)	C(CCH)(COO)(NCS)	C(CCHH)(CCN)(H)	N(CC[6a]HH)(SC[6a]OO)(CCC)	122.0380	0.000	1	122.0380	0.000	1	122.0380	0.000	1	118.0125	32.409	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	4:3:1:	4:4:3:	C-3:C-3:N-3:	C-4:C-3:O-1:	S-4:C-4:C-3:	C(CCH)(CCO)(NCS)	C(CCHH)(CCN)(O)	N(SC[6a]OO)(CCHH)(CCC)	C(CCH)(CCO)(NCS)	C(CCHH)(CCN)(O)	N(SC[6a]OO)(CCHH)(CCC)	113.9870	0.000	1	113.9870	0.000	1	113.9870	0.000	1	118.0125	32.409	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	4:3:2:	3:1:1:	C-3:C-3:N-3:	C-4:C-3:N-2:	C-3:O-1:O-1:	C(CC[6a]2)(CCN)(NOO)	C(CCHH)(CCN)(NO)	N(CCC)(O)2	C(CC[6a]2)(CCN)(NOO)	C(CCHH)(CCN)(NO)	N(CCC)(O)2	111.9120	0.000	1	111.9120	0.000	1	111.9120	0.000	1	119.2920	41.691	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	4:3:2:	3:1:1:	C[6a]-3:C-3:N-3:	C-4:C-3:C-2:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCC)(NHH)	C(CC[6a]HH)(CC[6a]N)(CN)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCC)(NHH)	C(CC[6a]HH)(CC[6a]N)(CN)	N(CC[6a]C)(H)2	122.9820	1.298	2	122.9820	1.685	2	122.9820	1.685	2	119.2920	41.691	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	4:3:2:	4:4:3:	C-3:C-3:N-3:	C-4:C-3:N-2:	C-4:S-4:C-3:	C(CCN)(COO)(NCS)	C(CH3)(CCN)(NC)	N(CC[6a]HH)(SC[6a]OO)(CCC)	C(CCN)(COO)(NCS)	C(CH3)(CCN)(NC)	N(CC[6a]HH)(SC[6a]OO)(CCC)	118.8650	0.000	1	118.8650	0.000	1	118.8650	0.000	1	118.8650	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	4:3:3:	3:1:1:	C-3:C-3:N-3:	C-4:C-3:C-3:	C-3:O-1:O-1:	C(CCC)(CCO)(NOO)	C(CC3)(CCH)(CCN)	N(CCC)(O)2	C(CCC)(CCO)(NOO)	C(CC3)(CCH)(CCN)	N(CCC)(O)2	120.2930	0.000	1	120.2930	0.000	1	120.2930	0.000	1	121.9770	5.672	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	4:3:3:	3:1:1:	C-3:N-3:N-3:	C-4:C-3:C-3:	C-3:H-1:H-1:	C(CCC)(NCH)(NHH)	C(CCHH)(CNN)(COO)	N(CCN)(H)2	C(CCC)(NCH)(NHH)	C(CCHH)(CNN)(COO)	N(CCN)(H)2	123.6610	0.000	1	123.6610	0.000	1	123.6610	0.000	1	121.9770	5.672	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	4:3:3:	3:3:1:	C-3:N-3:N-3:	C-4:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(NCH)(NHH)	C(CCHH)(CNN)(COO)	N(CCN)(COO)(H)	C(CCC)(NCH)(NHH)	C(CCHH)(CNN)(COO)	N(CCN)(COO)(H)	120.3090	0.000	1	120.3090	0.000	1	120.3090	0.000	1	120.3090	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	4:3:3:	3:3:2:	C-3:C-3:N-3:	S-4:C-3:C-3:	C-3:C-3:N-2:	C(CCS)(COO)(NCN)	C(SCOO)(CCN)(COO)	N(CCC)(CCO)(NC)	C(CCS)(COO)(NCN)	C(SCOO)(CCN)(COO)	N(CCC)(CCO)(NC)	124.8400	0.000	1	124.8400	0.000	1	124.8400	0.000	1	124.8400	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	4:3:3:	4:3:3:	C-3:N-3:N-3:	C-4:C-3:N-3:	C-4:C-3:C-3:	C(CCN)(NCC)2	C(CC[6a]CH)(CNN)(NOO)	N(CH3)(CCN)(CCO)	C(CCN)(NCC)2	C(CC[6a]CH)(CNN)(NOO)	N(CH3)(CCN)(CCO)	118.2720	0.000	1	118.2720	0.000	1	118.2720	0.000	1	118.2720	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	4:3:3:	4:4:3:	C-3:N-3:N-3:	C-4:C-3:N-3:	C-4:C-4:C-3:	C(CCN)(NCC)2	C(CC[6a]CH)(CNN)(NOO)	N(CC[6a]HH)(CCHH)(CCN)	C(CCN)(NCC)2	C(CC[6a]CH)(CNN)(NOO)	N(CC[6a]HH)(CCHH)(CCN)	126.1130	0.000	1	126.1130	0.000	1	126.1130	0.000	1	122.5186	2.964	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	4:3:3:	4:4:3:	C-3:N-3:N-3:	Ga-4:C-3:C-3:	C-4:C-4:C-3:	C(CGaC)(NCC)2	C(GaCl3)(CNN)2	N(CH3)2(CCN)	C(CGaC)(NCC)2	C(GaCl3)(CNN)2	N(CH3)2(CCN)	122.0692	1.145	8	122.0692	1.311	8	122.0692	1.311	8	122.5186	2.964	9	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:3:	4:4:3:	3:3:1:	C-3:C-3:N-3:	C-4:C-4:C-3:	C-3:C-3:H-1:	C(CCC)(CNO)(NCH)	C(CH3)2(CCN)	N(CCC)(COO)(H)	C(CCC)(CNO)(NCH)	C(CH3)2(CCN)	N(CCC)(COO)(H)	121.2820	0.000	1	121.2820	0.000	1	121.2820	0.000	1	121.2820	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:4:	3:3:1:	3:3:1:	C-3:N-3:C-4:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:O-1:	C(CC[6a]O)(NC[6a]O)(CHHO)	C(C[6a]C[6a]2)(CCN)(O)	N(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]O)(NC[6a]O)(CHHO)	C(C[6a]C[6a]2)(CCN)(O)	N(C[6a]C[6a]2)(CCC)(O)	119.7540	0.000	1	119.7540	0.000	1	119.7540	0.000	1	119.7540	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:4:	3:3:1:	3:3:3:	C-3:N-3:C-4:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C(CC[6a]H)(NC[6a]C)(CHHN)	C(C[6a]C[6a]2)(CCN)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCC)	C(CC[6a]H)(NC[6a]C)(CHHN)	C(C[6a]C[6a]2)(CCN)(H)	N(C[6a]C[6a]2)(CC[6a]O)(CCC)	120.3050	0.000	1	120.3050	0.000	1	120.3050	0.000	1	120.3050	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:3:4:	3:3:1:	4:3:1:	N-3:C-3:C-4:	C-3:C-3:Br-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CBrC)(CH3)	C(CCN)(CCO)(Br)	N(C[6]C[6]2H)(CCC)(H)	C(NC[6]H)(CBrC)(CH3)	C(CCN)(CCO)(Br)	N(C[6]C[6]2H)(CCC)(H)	119.4075	1.503	4	119.4075	2.260	4	119.4075	2.260	4	119.4075	2.260	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	2:3:1:	3:4:3:	N-3:C-4:C-3:	I-2:C-3:H-1:	C[6a]-3:S-4:C-3:	C(NC[6a]S)(CH3)(CHI)	C(IC[6a])(CCN)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCC)	C(NC[6a]S)(CH3)(CHI)	C(IC[6a])(CCN)(H)	N(C[6a]C[6a]2)(SC[6a]OO)(CCC)	120.7170	0.000	1	120.7170	0.000	1	120.7170	0.000	1	120.7170	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	2:4:3:	3:4:3:	N-3:C-4:C-3:	N-2:C-4:C-3:	C[6a]-3:Ga-4:C-3:	C(NC[6a]Ga)(CH3)(CCN)	C(NC[6a])(CH3)(CCN)	N(C[6a]C[6a]2)(GaCl2N)(CCC)	C(NC[6a]Ga)(CH3)(CCN)	C(NC[6a])(CH3)(CCN)	N(C[6a]C[6a]2)(GaCl2N)(CCC)	115.9845	0.312	2	115.9845	0.097	2	115.9845	0.097	2	115.9845	0.097	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:1:1:	3:4:3:	N-3:C-4:C-3:	C-3:H-1:H-1:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CH3)(CHH)	C(CCN)(H)2	N(C[6a]N[6a]2)(CC[6a]HH)(CCC)	C(NC[6a]C)(CH3)(CHH)	C(CCN)(H)2	N(C[6a]N[6a]2)(CC[6a]HH)(CCC)	118.4000	0.000	1	118.4000	0.000	1	118.4000	0.000	1	118.4000	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:1:1:	5:3:3:	N-3:C-4:C-3:	C-3:F-1:F-1:	Si[4]-5:C[6a]-3:C-3:	C(NC[6a]Si[4])(CF3)(CFF)	C(CCN)(F)2	N(Si[4]N[4]2ClF)(C[6a]C[6a]2)(CCC)	C(NC[6a]Si[4])(CF3)(CFF)	C(CCN)(F)2	N(Si[4]N[4]2ClF)(C[6a]C[6a]2)(CCC)	121.5400	0.000	2	121.5400	0.000	2	121.5400	0.000	2	121.5400	0.000	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:2:1:	3:3:3:	N-3:C-4:C-3:	C-3:S-2:H-1:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CH3)(CHS)	C(CCN)(SS)(H)	N(C[6a]C[6a]2)(CCC)(CCO)	C(NC[6a]C)(CH3)(CHS)	C(CCN)(SS)(H)	N(C[6a]C[6a]2)(CCC)(CCO)	121.4250	0.728	2	121.4250	0.530	2	121.4250	0.530	2	121.4250	0.530	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:2:2:	3:3:1:	N-3:C-4:C-3:	C-3:N-2:O-2:	C[6a]-3:C-3:O-1:	C(NC[6a]O)(CCHH)(CNO)	C(CCN)(NS)(OC)	N(C[6a]C[6a]2)(CCC)(O)	C(NC[6a]O)(CCHH)(CNO)	C(CCN)(NS)(OC)	N(C[6a]C[6a]2)(CCC)(O)	117.3200	0.000	1	117.3200	0.000	1	117.3200	0.000	1	117.3200	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:1:1:	C-3:C-4:N-3:	C[4a]-3:C-3:H-1:	C-3:H-1:H-1:	C(CC[4a]H)(CH3)(NHH)	C(C[4a]C[4a]2)(CCN)(H)	N(CCC)(H)2	C(CC[4a]H)(CH3)(NHH)	C(C[4a]C[4a]2)(CCN)(H)	N(CCC)(H)2	122.6880	0.000	1	122.6880	0.000	1	122.6880	0.000	1	116.6041	4.153	19	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:1:1:	C-3:C-4:N-3:	C[5a]-3:C-3:H-1:	C-3:O-1:O-1:	C(CC[5a]H)(CH3)(NOO)	C(C[5a]C[5a,6a]C[5a])(CCN)(H)	N(CCC)(O)2	C(CC[5a]H)(CH3)(NOO)	C(C[5a]C[5a,6a]C[5a])(CCN)(H)	N(CCC)(O)2	116.0250	0.314	2	116.0250	0.099	2	115.9123	0.245	4	116.6041	4.153	19	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:1:1:	C-3:C-4:N-3:	C[5a]-3:C-3:H-1:	C-3:O-1:O-1:	C(CC[5a]H)(CH3)(NOO)	C(C[5a]C[5a]O[5a])(CCN)(H)	N(CCC)(O)2	C(CC[5a]H)(CH3)(NOO)	C(C[5a]C[5a]O[5a])(CCN)(H)	N(CCC)(O)2	115.2580	0.000	1	115.2580	0.000	1	115.9123	0.245	4	116.6041	4.153	19	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:1:1:	C-3:C-4:N-3:	C[5a]-3:C-3:H-1:	C-3:O-1:O-1:	C(CC[5a]H)(CH3)(NOO)	C(C[5a]C[5a]S[5a])(CCN)(H)	N(CCC)(O)2	C(CC[5a]H)(CH3)(NOO)	C(C[5a]C[5a]S[5a])(CCN)(H)	N(CCC)(O)2	116.3410	0.000	1	116.3410	0.000	1	115.9123	0.245	4	116.6041	4.153	19	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:1:1:	C-3:C-4:N-3:	C[6a]-3:C-3:H-1:	C-3:O-1:O-1:	C(CC[6a]H)(CCHH)(NOO)	C(C[6a]C[6a]2)(CCN)(H)	N(CCC)(O)2	C(CC[6a]H)(CCHH)(NOO)	C(C[6a]C[6a]2)(CCN)(H)	N(CCC)(O)2	115.3650	0.000	1	115.3650	0.000	1	116.3672	2.639	14	116.6041	4.153	19	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:1:1:	C-3:C-4:N-3:	C[6a]-3:C-3:H-1:	C-3:O-1:O-1:	C(CC[6a]H)(CCHO)(NOO)	C(C[6a]C[6a]2)(CCN)(H)	N(CCC)(O)2	C(CC[6a]H)(CCHO)(NOO)	C(C[6a]C[6a]2)(CCN)(H)	N(CCC)(O)2	116.4150	0.000	1	116.4150	0.000	1	116.3672	2.639	14	116.6041	4.153	19	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:1:1:	C-3:C-4:N-3:	C[6a]-3:C-3:H-1:	C-3:O-1:O-1:	C(CC[6a]H)(CH3)(NOO)	C(C[6a]C[6a,6a]C[6a])(CCN)(H)	N(CCC)(O)2	C(CC[6a]H)(CH3)(NOO)	C(C[6a]C[6a,6a]C[6a])(CCN)(H)	N(CCC)(O)2	116.1690	0.000	1	116.1690	0.000	1	116.3672	2.639	14	116.6041	4.153	19	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:1:1:	C-3:C-4:N-3:	C[6a]-3:C-3:H-1:	C-3:O-1:O-1:	C(CC[6a]H)(CH3)(NOO)	C(C[6a]C[6a]2)(CCN)(H)	N(CCC)(O)2	C(CC[6a]H)(CH3)(NOO)	C(C[6a]C[6a]2)(CCN)(H)	N(CCC)(O)2	116.7278	1.922	9	116.7278	3.696	9	116.3672	2.639	14	116.6041	4.153	19	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:1:1:	C-3:C-4:N-3:	C[6a]-3:C-3:H-1:	C-3:O-1:O-1:	C(CC[6a]H)(CHHO)(NOO)	C(C[6a]C[6a]2)(CCN)(H)	N(CCC)(O)2	C(CC[6a]H)(CHHO)(NOO)	C(C[6a]C[6a]2)(CCN)(H)	N(CCC)(O)2	115.3210	0.577	2	115.3210	0.333	2	116.3672	2.639	14	116.6041	4.153	19	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:3:1:	C-3:C-4:N-3:	C[6a]-3:C-3:H-1:	C-3:C-3:O-1:	C(CC[6a]H)(CH3)(NCO)	C(C[6a]C[6a]2)(CCN)(H)	N(CC[6a]H)(CCC)(O)	C(CC[6a]H)(CH3)(NCO)	C(C[6a]C[6a]2)(CCN)(H)	N(CC[6a]H)(CCC)(O)	120.5690	0.000	1	120.5690	0.000	1	120.5690	0.000	1	121.0317	2.558	99	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:3:1:	N-3:C-4:C-3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C(NC[5]H)(CH3)(CCH)	C(CCN)(CCO)(H)	N(C[5]C[5]2)(CCC)(H)	C(NC[5]H)(CH3)(CCH)	C(CCN)(CCO)(H)	N(C[5]C[5]2)(CCC)(H)	120.4230	0.000	1	120.4230	0.000	1	120.4230	0.000	1	121.0317	2.558	99	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:3:1:	N-3:C-4:C-3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CH3)(CCH)	C(CCN)(COO)(H)	N(C[5a]C[5a]2)(CCC)(H)	C(NC[5a]H)(CH3)(CCH)	C(CCN)(COO)(H)	N(C[5a]C[5a]2)(CCC)(H)	122.1750	0.304	2	122.1750	0.092	2	122.6000	6.232	4	121.0317	2.558	99	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:3:1:	N-3:C-4:C-3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CH3)(CCH)	C(CCN)2(H)	N(C[5a]N[5a]2)(CCC)(H)	C(NC[5a]H)(CH3)(CCH)	C(CCN)2(H)	N(C[5a]N[5a]2)(CCC)(H)	126.0150	0.000	1	126.0150	0.000	1	122.6000	6.232	4	121.0317	2.558	99	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:3:1:	N-3:C-4:C-3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(CH3)(CCH)	C(CC[6a]O)(CCN)(H)	N(C[5a]C[5a]2)(CCC)(H)	C(NC[5a]H)(CH3)(CCH)	C(CC[6a]O)(CCN)(H)	N(C[5a]C[5a]2)(CCC)(H)	120.0350	0.000	1	120.0350	0.000	1	122.6000	6.232	4	121.0317	2.558	99	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:3:1:	N-3:C-4:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCCH)(CCH)	C(CCN)(CCO)(H)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCCH)(CCH)	C(CCN)(CCO)(H)	N(C[6a]C[6a]2)(CCC)(H)	121.7137	0.393	3	121.7137	0.154	3	121.0084	2.415	89	121.0317	2.558	99	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:3:1:	N-3:C-4:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(CCH)	C(CCN)(CCO)(H)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCHH)(CCH)	C(CCN)(CCO)(H)	N(C[6a]C[6a]2)(CCC)(H)	122.1209	0.667	8	122.1209	0.445	8	121.0084	2.415	89	121.0317	2.558	99	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:3:1:	N-3:C-4:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(CCH)	C(CC[6a]O)(CCN)(H)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCHH)(CCH)	C(CC[6a]O)(CCN)(H)	N(C[6a]C[6a]2)(CCC)(H)	120.5030	0.000	1	120.5030	0.000	1	121.0084	2.415	89	121.0317	2.558	99	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:3:1:	N-3:C-4:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CF3)(CCH)	C(CCN)2(H)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CF3)(CCH)	C(CCN)2(H)	N(C[6a]C[6a]2)(CCC)(H)	124.2430	0.000	1	124.2430	0.000	1	121.0084	2.415	89	121.0317	2.558	99	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:3:1:	N-3:C-4:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CF3)(CCH)	C(CC[6a]O)(CCN)(H)	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(NC[6a]H)(CF3)(CCH)	C(CC[6a]O)(CCN)(H)	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	123.5360	0.000	1	123.5360	0.000	1	121.0084	2.415	89	121.0317	2.558	99	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:3:1:	N-3:C-4:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(CCH)	C(CCN)(CCO)(H)	N(C[6a]C[5a,6a]C[6a])(CCC)(H)	C(NC[6a]H)(CH3)(CCH)	C(CCN)(CCO)(H)	N(C[6a]C[5a,6a]C[6a])(CCC)(H)	119.8460	0.321	3	119.8460	0.103	3	121.0084	2.415	89	121.0317	2.558	99	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:3:1:	N-3:C-4:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(CCH)	C(CCN)(CCO)(H)	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(NC[6a]H)(CH3)(CCH)	C(CCN)(CCO)(H)	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	119.3143	0.412	3	119.3143	0.170	3	121.0084	2.415	89	121.0317	2.558	99	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:3:1:	N-3:C-4:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(CCH)	C(CCN)(CCO)(H)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CH3)(CCH)	C(CCN)(CCO)(H)	N(C[6a]C[6a]2)(CCC)(H)	120.7996	1.084	31	120.7996	1.176	31	121.0084	2.415	89	121.0317	2.558	99	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:3:1:	N-3:C-4:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(CCH)	C(CCN)(COO)(H)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CH3)(CCH)	C(CCN)(COO)(H)	N(C[6a]C[6a]2)(CCC)(H)	122.7773	0.343	3	122.7773	0.118	3	121.0084	2.415	89	121.0317	2.558	99	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:3:1:	N-3:C-4:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(CCH)	C(CCN)2(H)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CH3)(CCH)	C(CCN)2(H)	N(C[6a]C[6a]2)(CCC)(H)	121.1376	2.745	13	121.1376	7.536	13	121.0084	2.415	89	121.0317	2.558	99	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:3:1:	N-3:C-4:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(CCH)	C(CC[5]O)(CCN)(H)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CH3)(CCH)	C(CC[5]O)(CCN)(H)	N(C[6a]C[6a]2)(CCC)(H)	121.3419	1.138	8	121.3419	1.295	8	121.0084	2.415	89	121.0317	2.558	99	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:3:1:	N-3:C-4:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(CCH)	C(CC[5a]O)(CCN)(H)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CH3)(CCH)	C(CC[5a]O)(CCN)(H)	N(C[6a]C[6a]2)(CCC)(H)	120.8038	0.815	5	120.8038	0.665	5	121.0084	2.415	89	121.0317	2.558	99	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:3:1:	N-3:C-4:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(CCH)	C(CC[6a]N)(CCN)(H)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CH3)(CCH)	C(CC[6a]N)(CCN)(H)	N(C[6a]C[6a]2)(CCC)(H)	118.7900	1.440	2	118.7900	2.073	2	121.0084	2.415	89	121.0317	2.558	99	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:3:1:	N-3:C-4:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(CCH)	C(CC[6a]O)(CCN)(H)	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(NC[6a]H)(CH3)(CCH)	C(CC[6a]O)(CCN)(H)	N(C[6a]C[6a,6a]C[6a])(CCC)(H)	120.3910	0.000	1	120.3910	0.000	1	121.0084	2.415	89	121.0317	2.558	99	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:3:1:	N-3:C-4:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(CCH)	C(CC[6a]O)(CCN)(H)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CH3)(CCH)	C(CC[6a]O)(CCN)(H)	N(C[6a]C[6a]2)(CCC)(H)	120.2075	0.554	6	120.2075	0.307	6	121.0084	2.415	89	121.0317	2.558	99	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:3:1:	N-3:C-4:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(NC[6a]O)(CCHH)(CCH)	C(CCH)(CCN)(H)	N(C[6a]C[6a]2)(CCC)(O)	C(NC[6a]O)(CCHH)(CCH)	C(CCH)(CCN)(H)	N(C[6a]C[6a]2)(CCC)(O)	118.6080	0.000	1	118.6080	0.000	1	118.6080	0.000	1	121.0317	2.558	99	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:3:1:	N-3:C-4:C-3:	C-3:C-3:H-1:	N[5]-3:C-3:H-1:	C(NN[5]H)(CH3)(CCH)	C(CCN)(CCO)(H)	N(N[5]C[5,6]C[5])(CCC)(H)	C(NN[5]H)(CH3)(CCH)	C(CCN)(CCO)(H)	N(N[5]C[5,6]C[5])(CCC)(H)	119.9950	0.000	1	119.9950	0.000	1	120.1000	0.022	2	121.0317	2.558	99	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:3:1:	N-3:C-4:C-3:	C-3:C-3:H-1:	N[5]-3:C-3:H-1:	C(NN[5]H)(CH3)(CCH)	C(CCN)(CCO)(H)	N(N[5]C[5]2)(CCC)(H)	C(NN[5]H)(CH3)(CCH)	C(CCN)(CCO)(H)	N(N[5]C[5]2)(CCC)(H)	120.2050	0.000	1	120.2050	0.000	1	120.1000	0.022	2	121.0317	2.558	99	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:3:1:	N-3:C-4:C-3:	C-3:C-3:H-1:	N[5a]-3:C-3:H-1:	C(NN[5a]H)(CH3)(CCH)	C(CCN)(COO)(H)	N(N[5a]C[5a]2)(CCC)(H)	C(NN[5a]H)(CH3)(CCH)	C(CCN)(COO)(H)	N(N[5a]C[5a]2)(CCC)(H)	122.1860	0.000	1	122.1860	0.000	1	122.1860	0.000	1	121.0317	2.558	99	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:3:3:	N-3:C-4:C-3:	C-3:C-3:H-1:	C[6a]-3:B-3:C-3:	C(NC[6a]B)(CC3)(CCH)	C(CCN)2(H)	N(C[6a]C[6a]2)(BClN)(CCC)	C(NC[6a]B)(CC3)(CCH)	C(CCN)2(H)	N(C[6a]C[6a]2)(BClN)(CCC)	114.7210	0.000	1	114.7210	0.000	1	117.6770	6.553	3	117.6770	6.553	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:3:3:	N-3:C-4:C-3:	C-3:C-3:H-1:	C[6a]-3:B-3:C-3:	C(NC[6a]B)(CH3)(CCH)	C(CCN)2(H)	N(C[6a]C[6a]2)(BClFe)(CCC)	C(NC[6a]B)(CH3)(CCH)	C(CCN)2(H)	N(C[6a]C[6a]2)(BClFe)(CCC)	119.1550	0.000	2	119.1550	0.000	2	117.6770	6.553	3	117.6770	6.553	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:4:3:	N-3:C-4:C-3:	C-3:C-3:H-1:	C[6a]-3:Nb-4:C-3:	C(NC[6a]Nb)(CH3)(CCH)	C(CCN)2(H)	N(C[6a]C[6a]2)(NbNNS)(CCC)	C(NC[6a]Nb)(CH3)(CCH)	C(CCN)2(H)	N(C[6a]C[6a]2)(NbNNS)(CCC)	123.3140	0.000	1	123.3140	0.000	1	123.3140	0.000	1	121.2453	3.228	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:4:3:	N-3:C-4:C-3:	C-3:C-3:H-1:	C[6a]-3:S-4:C-3:	C(NC[6a]S)(CHHS)(CCH)	C(CC[6a]C)(CCN)(H)	N(C[6a]C[6a]2)(SCOO)(CCC)	C(NC[6a]S)(CHHS)(CCH)	C(CC[6a]C)(CCN)(H)	N(C[6a]C[6a]2)(SCOO)(CCC)	120.3460	0.000	1	120.3460	0.000	1	120.3460	0.000	1	121.2453	3.228	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	3:4:3:	N-3:C-4:C-3:	C-3:C-3:H-1:	C[6a]-3:Si-4:C-3:	C(NC[6a]Si)(CH3)(CCH)	C(CCN)2(H)	N(C[6a]C[6a]2)(SiHOO)(CCC)	C(NC[6a]Si)(CH3)(CCH)	C(CCN)2(H)	N(C[6a]C[6a]2)(SiHOO)(CCC)	120.0760	0.000	1	120.0760	0.000	1	120.0760	0.000	1	121.2453	3.228	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	4:3:1:	N-3:C-4:C-3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CH3)(CCH)	C(CCN)(CCO)(H)	N(C[5]C[5,6a]C[5]H)(CCC)(H)	C(NC[5]H)(CH3)(CCH)	C(CCN)(CCO)(H)	N(C[5]C[5,6a]C[5]H)(CCC)(H)	122.6580	0.000	1	122.6580	0.000	1	121.3070	1.374	3	120.9914	1.339	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	4:3:1:	N-3:C-4:C-3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C(NC[5]H)(CH3)(CCH)	C(CCN)(CCO)(H)	N(C[5]C[5]2Fe)(CCC)(H)	C(NC[5]H)(CH3)(CCH)	C(CCN)(CCO)(H)	N(C[5]C[5]2Fe)(CCC)(H)	120.6315	0.100	2	120.6315	0.010	2	121.3070	1.374	3	120.9914	1.339	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	4:3:1:	N-3:C-4:C-3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CH3)(CCH)	C(CCN)(CCO)(H)	N(C[6]C[6]2H)(CCC)(H)	C(NC[6]H)(CH3)(CCH)	C(CCN)(CCO)(H)	N(C[6]C[6]2H)(CCC)(H)	120.5180	1.365	2	120.5180	1.862	2	120.5180	1.862	2	120.9914	1.339	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	4:4:3:	C-3:C-4:N-3:	C[6]-3:C-3:H-1:	C-4:C-4:C-3:	C(CC[6]H)(CH3)(NCC)	C(C[6]C[5a,6]2)(CCN)(H)	N(CCCH)(CCHH)(CCC)	C(CC[6]H)(CH3)(NCC)	C(C[6]C[5a,6]2)(CCN)(H)	N(CCCH)(CCHH)(CCC)	120.9140	0.000	2	120.9140	0.000	2	120.9140	0.000	2	120.1400	1.797	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	4:4:3:	C-3:C-4:N-3:	C[6a]-3:C-3:H-1:	C-4:C-4:C-3:	C(CC[6a]H)(CH3)(NCC)	C(C[6a]N[6a,6a]N[6a])(CCN)(H)	N(CH3)2(CCC)	C(CC[6a]H)(CH3)(NCC)	C(C[6a]N[6a,6a]N[6a])(CCN)(H)	N(CH3)2(CCC)	118.5920	0.000	1	118.5920	0.000	1	118.5920	0.000	1	120.1400	1.797	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	6:3:3:	N-3:C-4:C-3:	C-3:C-3:H-1:	Nb[3,3]-6:C[6a]-3:C-3:	C(NNb[3,3]C[6a])(CH3)(CCH)	C(CCN)2(H)	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)2(H)	N(Nb[3,3]Nb[3,3,6]N[6]O[3]2N)(C[6a]C[6a]2)(CCC)	123.6590	0.000	1	123.6590	0.000	1	123.6590	0.000	1	123.6590	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:1:	8:3:3:	N-3:C-4:C-3:	C-3:C-3:H-1:	Nb[5x3]-8:C[6a]-3:C-3:	C(NNb[5x3]C[6a])(CH3)(CCH)	C(CCN)2(H)	N(Nb[5x3]C[3,3,5]5ClN)(C[6a]C[6a]2)(CCC)	C(NNb[5x3]C[6a])(CH3)(CCH)	C(CCN)2(H)	N(Nb[5x3]C[3,3,5]5ClN)(C[6a]C[6a]2)(CCC)	118.6710	0.000	1	118.6710	0.000	1	118.6710	0.000	1	118.6710	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:2:	3:3:1:	N-3:C-4:C-3:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(CCC)	C(CCN)2(CN)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CH3)(CCC)	C(CCN)2(CN)	N(C[6a]C[6a]2)(CCC)(H)	119.7076	0.474	7	119.7076	0.225	7	119.7076	0.225	7	119.7076	0.225	7	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:3:	3:3:1:	N-3:C-4:C-3:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCHH)(CCC)	C(CCN)(CCO)(CNO)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCHH)(CCC)	C(CCN)(CCO)(CNO)	N(C[6a]C[6a]2)(CCC)(H)	119.4190	0.000	1	119.4190	0.000	1	120.4035	1.223	12	120.4341	1.133	13	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:3:	3:3:1:	N-3:C-4:C-3:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(CCC)	C(CCC)(CCN)2	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CH3)(CCC)	C(CCC)(CCN)2	N(C[6a]C[6a]2)(CCC)(H)	121.6732	0.617	4	121.6732	0.381	4	120.4035	1.223	12	120.4341	1.133	13	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:3:	3:3:1:	N-3:C-4:C-3:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(CCC)	C(CCN)(CCO)2	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CH3)(CCC)	C(CCN)(CCO)2	N(C[6a]C[6a]2)(CCC)(H)	120.3605	0.469	2	120.3605	0.220	2	120.4035	1.223	12	120.4341	1.133	13	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:3:	3:3:1:	N-3:C-4:C-3:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(CCC)	C(CCN)(COO)2	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CH3)(CCC)	C(CCN)(COO)2	N(C[6a]C[6a]2)(CCC)(H)	120.1670	0.000	1	120.1670	0.000	1	120.4035	1.223	12	120.4341	1.133	13	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:3:	3:3:1:	N-3:C-4:C-3:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(CCC)	C(CC[6a]O)(CCN)2	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CH3)(CCC)	C(CC[6a]O)(CCN)2	N(C[6a]C[6a]2)(CCC)(H)	119.4605	0.592	4	119.4605	0.351	4	120.4035	1.223	12	120.4341	1.133	13	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:3:	3:3:1:	N-3:C-4:C-3:	P-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(CCP)	C(PC[6a]2)(CCN)2	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CH3)(CCP)	C(PC[6a]2)(CCN)2	N(C[6a]C[6a]2)(CCC)(H)	120.8010	0.000	1	120.8010	0.000	1	120.8010	0.000	1	120.4341	1.133	13	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:3:	4:3:1:	C-3:C-4:N-3:	C[6a]-3:C-3:C-3:	S-4:C-3:H-1:	C(CC[6a]C)(CCHH)(NHS)	C(C[6a]C[6a]2)(CCN)(COO)	N(SO3)(CCC)(H)	C(CC[6a]C)(CCHH)(NHS)	C(C[6a]C[6a]2)(CCN)(COO)	N(SO3)(CCC)(H)	119.6100	0.000	1	119.6100	0.000	1	119.6100	0.000	1	119.9517	1.761	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:3:	4:3:1:	C-3:C-4:N-3:	N[5]-3:C-3:C-3:	C-4:C-3:H-1:	C(CN[5]C)(CH3)(NCH)	C(N[5]C[5]2)(CCN)2	N(CC[6a]CH)(CCC)(H)	C(CN[5]C)(CH3)(NCH)	C(N[5]C[5]2)(CCN)2	N(CC[6a]CH)(CCC)(H)	118.8290	0.000	1	118.8290	0.000	1	118.8290	0.000	1	119.9517	1.761	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:3:3:	4:3:1:	C-3:C-4:N-3:	N[5a]-3:C-3:C-3:	C-4:C-3:H-1:	C(CN[5a]C)(CH3)(NCH)	C(N[5a]C[5a,6a]N[5a])(CCN)(COO)	N(CC[6a]HH)(CCC)(H)	C(CN[5a]C)(CH3)(NCH)	C(N[5a]C[5a,6a]N[5a])(CCN)(COO)	N(CC[6a]HH)(CCC)(H)	121.4160	0.000	1	121.4160	0.000	1	121.4160	0.000	1	119.9517	1.761	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	3:4:3:	4:3:1:	C-3:C-4:N-3:	C[6a]-3:P[6]-4:C-3:	S-4:C-3:H-1:	C(CC[6a]P[6])(CH3)(NHS)	C(C[6a]C[6a]2)(P[6]O[6]2O)(CCN)	N(SC[6a]OO)(CCC)(H)	C(CC[6a]P[6])(CH3)(NHS)	C(C[6a]C[6a]2)(P[6]O[6]2O)(CCN)	N(SC[6a]OO)(CCC)(H)	120.7120	0.000	1	120.7120	0.000	1	120.7120	0.000	1	120.7120	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	4:3:1:	3:3:1:	N-3:C-4:C-3:	P-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(CHP)	C(PC[6a]3)(CCN)(H)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CH3)(CHP)	C(PC[6a]3)(CCN)(H)	N(C[6a]C[6a]2)(CCC)(H)	122.2980	0.000	1	122.2980	0.000	1	122.2980	0.000	1	122.2980	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	4:3:1:	3:4:3:	N-3:C-4:C-3:	S-4:C-3:H-1:	C[6a]-3:S-4:C-3:	C(NC[6a]S)(CCHH)(CHS)	C(SC[6a]OO)(CCN)(H)	N(C[6a]C[6a]2)(SCOO)(CCC)	C(NC[6a]S)(CCHH)(CHS)	C(SC[6a]OO)(CCN)(H)	N(C[6a]C[6a]2)(SCOO)(CCC)	120.5900	0.000	1	120.5900	0.000	1	120.5900	0.000	1	120.5900	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	3:4:3:	4:3:3:	3:3:1:	N-3:C-4:C-3:	C-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(CCC)	C(CH3)(CCN)(CCO)	N(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CH3)(CCC)	C(CH3)(CCN)(CCO)	N(C[6a]C[6a]2)(CCC)(H)	121.4440	0.693	2	121.4440	0.480	2	121.4440	0.480	2	121.4440	0.480	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:1:1:	3:1:1:	C-4:C-3:N-3:	C-3:H-1:H-1:	C-3:O-1:O-1:	C(CC[6a]CH)(CHH)(NOO)	C(CCN)(H)2	N(CCC)(O)2	C(CC[6a]CH)(CHH)(NOO)	C(CCN)(H)2	N(CCC)(O)2	116.5650	0.000	1	116.5650	0.000	1	116.5650	0.000	1	116.5650	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:1:1:	3:2:2:	C-4:C-3:N-3:	C-3:H-1:H-1:	C-3:O-2:O-2:	C(CCHO)(CHH)(NOO)	C(CCN)(H)2	N(CCC)(OSi)2	C(CCHO)(CHH)(NOO)	C(CCN)(H)2	N(CCC)(OSi)2	124.2200	0.000	1	124.2200	0.000	1	124.2200	0.000	1	124.2200	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:1:1:	3:3:1:	P-4:C-3:N-3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C(PO3)(CHH)(NCH)	C(CNP)(H)2	N(CCO)(CCP)(H)	C(PO3)(CHH)(NCH)	C(CNP)(H)2	N(CCO)(CCP)(H)	127.1550	0.000	1	127.1550	0.000	1	126.9995	0.048	2	126.9995	0.048	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:1:1:	3:3:1:	P-4:C-3:N-3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C(PO3)(CHH)(NCH)	C(CNP)(H)2	N(CCP)(COO)(H)	C(PO3)(CHH)(NCH)	C(CNP)(H)2	N(CCP)(COO)(H)	126.8440	0.000	1	126.8440	0.000	1	126.9995	0.048	2	126.9995	0.048	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:1:1:	3:4:4:	C[5]-4:C-3:N-3:	C-3:H-1:H-1:	C-3:C-4:C-4:	C(C[5]C[5]2Zr)(CHH)(NCC)	C(CC[5]N)(H)2	N(CC[5]C)(CH3)2	C(C[5]C[5]2Zr)(CHH)(NCC)	C(CC[5]N)(H)2	N(CC[5]C)(CH3)2	124.5410	0.000	1	124.5410	0.000	1	124.5410	0.000	1	124.5410	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:1:1:	4:3:3:	C-4:C-3:N-3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C(CH3)(CHH)(NCC)	C(CCN)(H)2	N(CCHH)(CCC)(CCO)	C(CH3)(CHH)(NCC)	C(CCN)(H)2	N(CCHH)(CCC)(CCO)	120.2960	0.000	1	120.2960	0.000	1	120.7365	0.388	2	119.7955	1.322	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:1:1:	4:3:3:	C-4:C-3:N-3:	C-3:H-1:H-1:	C-4:C-3:C-3:	C(CHHN)(CHH)(NCC)	C(CCN)(H)2	N(CC[6a]HH)(CC[6a]O)(CCC)	C(CHHN)(CHH)(NCC)	C(CCN)(H)2	N(CC[6a]HH)(CC[6a]O)(CCC)	121.1770	0.000	1	121.1770	0.000	1	120.7365	0.388	2	119.7955	1.322	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:1:1:	4:3:3:	C-4:C-3:N-3:	C-3:H-1:H-1:	S-4:C-3:C-3:	C(CCHH)(CHH)(NCS)	C(CCN)(H)2	N(SC[6a]OO)(CCC)(CCO)	C(CCHH)(CHH)(NCS)	C(CCN)(H)2	N(SC[6a]OO)(CCC)(CCO)	118.8545	0.189	2	118.8545	0.036	2	118.8545	0.036	2	119.7955	1.322	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:1:1:	4:4:3:	C[5]-4:C-3:N-3:	C-3:H-1:H-1:	S-4:S-4:C-3:	C(C[5]C[5]2Fe)(CHH)(NSS)	C(CC[5]N)(H)2	N(SC[6a]OO)2(CC[5]C)	C(C[5]C[5]2Fe)(CHH)(NSS)	C(CC[5]N)(H)2	N(SC[6a]OO)2(CC[5]C)	118.6570	0.000	1	118.6570	0.000	1	118.6570	0.000	1	118.6570	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:2:1:	3:3:1:	C-4:C-3:N-3:	C-3:C-2:H-1:	C-3:P-3:H-1:	C(CH3)(CCH)(NHP)	C(CCN)(CN)(H)	N(CCC)(PCC)(H)	C(CH3)(CCH)(NHP)	C(CCN)(CN)(H)	N(CCC)(PCC)(H)	120.2340	0.000	1	120.2340	0.000	1	120.2340	0.000	1	113.7610	31.489	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:2:1:	3:3:1:	C-4:C-3:N-3:	C-3:O-2:O-1:	C-3:C-3:H-1:	C(CC3)(COO)(NCH)	C(CCN)(OC)(O)	N(CCC)(CCO)(H)	C(CC3)(COO)(NCH)	C(CCN)(OC)(O)	N(CCC)(CCO)(H)	110.7780	0.000	1	110.7780	0.000	1	110.5245	0.129	2	113.7610	31.489	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:2:1:	3:3:1:	C-4:C-3:N-3:	C-3:O-2:O-1:	C-3:C-3:H-1:	C(CH3)(COO)(NCH)	C(CCN)(OC)(O)	N(CCC)(CCO)(H)	C(CH3)(COO)(NCH)	C(CCN)(OC)(O)	N(CCC)(CCO)(H)	110.2710	0.000	1	110.2710	0.000	1	110.5245	0.129	2	113.7610	31.489	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:2:1:	4:3:1:	C-4:C-3:N-3:	C-3:O-2:O-1:	C-4:C-3:O-1:	C(CCHH)(COO)(NCO)	C(CCN)(OC)(O)	N(CCCH)(CCC)(O)	C(CCHH)(COO)(NCO)	C(CCN)(OC)(O)	N(CCCH)(CCC)(O)	123.5900	0.000	1	123.5900	0.000	1	121.9616	0.874	5	121.9616	0.874	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:2:1:	4:3:1:	C-4:C-3:N-3:	C-3:O-2:O-1:	C-4:C-3:O-1:	C(CCHH)(COO)(NCO)	C(CCN)(OC)(O)	N(CC[6a]CH)(CCC)(O)	C(CCHH)(COO)(NCO)	C(CCN)(OC)(O)	N(CC[6a]CH)(CCC)(O)	121.5545	0.246	4	121.5545	0.061	4	121.9616	0.874	5	121.9616	0.874	5	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:2:1:	4:3:4:	C[6]-4:N-3:C-3:	C-3:N-2:H-1:	C[6]-4:C-3:C-4:	C(C[6]C[6]2H)(NC[6]C)(CHN)	C(CC[6]N)(NC[6])(H)	N(C[6]C[6]2H)(CC[6]C)(CH3)	C(C[6]C[6]2H)(NC[6]C)(CHN)	C(CC[6]N)(NC[6])(H)	N(C[6]C[6]2H)(CC[6]C)(CH3)	119.0775	0.503	2	119.0775	0.253	2	119.0775	0.253	2	119.0775	0.253	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:2:1:	4:4:3:	C-4:C-3:N-3:	C-3:C-2:H-1:	C-4:C-4:C-3:	C(CH3)(CCH)(NCC)	C(CCN)(CC)(H)	N(CH3)2(CCC)	C(CH3)(CCH)(NCC)	C(CCN)(CC)(H)	N(CH3)2(CCC)	122.0430	0.000	1	122.0430	0.000	1	122.0430	0.000	1	122.0430	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CC3)(CCH)(NHH)	C(CN[6]N)(CCN)(H)	N(CCC)(H)2	C(CC3)(CCH)(NHH)	C(CN[6]N)(CCN)(H)	N(CCC)(H)2	121.7410	0.000	1	121.7410	0.000	1	122.9845	0.812	4	119.5666	14.190	16	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CC[6a]HH)(CCH)(NHH)	C(CCN)(CCO)(H)	N(CCC)(H)2	C(CC[6a]HH)(CCH)(NHH)	C(CCN)(CCO)(H)	N(CCC)(H)2	123.4170	0.000	1	123.4170	0.000	1	122.9845	0.812	4	119.5666	14.190	16	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CH3)(CCH)(NHH)	C(CCN)(COO)(H)	N(CCC)(H)2	C(CH3)(CCH)(NHH)	C(CCN)(COO)(H)	N(CCC)(H)2	123.8220	0.000	1	123.8220	0.000	1	122.9845	0.812	4	119.5666	14.190	16	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CH3)(CCH)(NHH)	C(CN[5a]O)(CCN)(H)	N(CCC)(H)2	C(CH3)(CCH)(NHH)	C(CN[5a]O)(CCN)(H)	N(CCC)(H)2	122.9580	0.000	1	122.9580	0.000	1	122.9845	0.812	4	119.5666	14.190	16	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-3:O-1:O-1:	C(CCHH)(CCH)(NOO)	C(CCH)(CCN)(H)	N(CCC)(O)2	C(CCHH)(CCH)(NOO)	C(CCH)(CCN)(H)	N(CCC)(O)2	116.9503	0.785	3	116.9503	0.616	3	116.2605	1.387	6	119.5666	14.190	16	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-3:O-1:O-1:	C(CC[6a]CH)(CCH)(NOO)	C(CCN)(COO)(H)	N(CCC)(O)2	C(CC[6a]CH)(CCH)(NOO)	C(CCN)(COO)(H)	N(CCC)(O)2	114.2860	0.000	1	114.2860	0.000	1	116.2605	1.387	6	119.5666	14.190	16	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-3:O-1:O-1:	C(CH3)(CCH)(NOO)	C(CCH)(CCN)(H)	N(CCC)(O)2	C(CH3)(CCH)(NOO)	C(CCH)(CCN)(H)	N(CCC)(O)2	116.2130	0.608	2	116.2130	0.370	2	116.2605	1.387	6	119.5666	14.190	16	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:N-3:	C[5a]-3: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])(CCN)(H)	N(CCC)(O)2	C(CC[5a]CH)(CC[5a]H)(NOO)	C(C[5a]C[5a]O[5a])(CCN)(H)	N(CCC)(O)2	115.5480	0.109	2	115.5480	0.012	2	115.5480	0.012	2	119.5666	14.190	16	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:N-3:	C[6a]-3:C-3:O-1:	C-3:O-1:O-1:	C(CC[6a]HP)(CC[6a]O)(NOO)	C(C[6a]C[6a]2)(CCN)(O)	N(CCC)(O)2	C(CC[6a]HP)(CC[6a]O)(NOO)	C(C[6a]C[6a]2)(CCN)(O)	N(CCC)(O)2	122.2860	0.000	1	122.2860	0.000	1	122.2860	0.000	1	119.5666	14.190	16	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	3:1:1:	C[5]-4:C-3:N-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5]N[5]H)(CCH)(NHH)	C(CC[5]N)(COO)(H)	N(CC[5]C)(H)2	C(C[5]C[5]N[5]H)(CCH)(NHH)	C(CC[5]N)(COO)(H)	N(CC[5]C)(H)2	124.6820	0.000	1	124.6820	0.000	1	124.6820	0.000	1	119.5666	14.190	16	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	3:1:1:	C[5]-4:C-3:N-3:	C[5a]-3:C-3:H-1:	C-3:O-1:O-1:	C(C[5]C[5]2O)(CC[5a]H)(NOO)	C(C[5a]C[5a]2)(CC[5]N)(H)	N(CC[5]C)(O)2	C(C[5]C[5]2O)(CC[5a]H)(NOO)	C(C[5a]C[5a]2)(CC[5]N)(H)	N(CC[5]C)(O)2	124.3350	0.000	1	124.3350	0.000	1	124.3350	0.000	1	119.5666	14.190	16	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	3:1:1:	C[6]-4:C-3:N-3:	C-3:N-3:H-1:	C-3:O-1:O-1:	C(C[6]C[6]2H)(CHN)(NOO)	C(CC[6]N)(NCH)(H)	N(CC[6]C)(O)2	C(C[6]C[6]2H)(CHN)(NOO)	C(CC[6]N)(NCH)(H)	N(CC[6]C)(O)2	121.1650	0.000	1	121.1650	0.000	1	121.1650	0.000	1	119.5666	14.190	16	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	3:2:1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-3:N-2:H-1:	C(CH3)(CCH)(NHN)	C(CC[6a]O)(CCN)(H)	N(CCC)(NC)(H)	C(CH3)(CCH)(NHN)	C(CC[6a]O)(CCN)(H)	N(CCC)(NC)(H)	119.1560	0.000	1	119.1560	0.000	1	119.1560	0.000	1	119.1560	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCHH)(CCH)(NCH)	C(CCN)(CCO)(H)	N(CCC)(CCO)(H)	C(CCHH)(CCH)(NCH)	C(CCN)(CCO)(H)	N(CCC)(CCO)(H)	126.9280	0.000	1	126.9280	0.000	1	124.0058	3.956	4	122.0657	3.434	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCHH)(CCH)(NCH)	C(CCN)(COO)(H)	N(CCC)(CCO)(H)	C(CCHH)(CCH)(NCH)	C(CCN)(COO)(H)	N(CCC)(CCO)(H)	123.5590	0.000	1	123.5590	0.000	1	124.0058	3.956	4	122.0657	3.434	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CH3)(CCH)(NCH)	C(CCN)(COO)(H)	N(CCC)(CCO)(H)	C(CH3)(CCH)(NCH)	C(CCN)(COO)(H)	N(CCC)(CCO)(H)	122.7680	0.256	2	122.7680	0.066	2	124.0058	3.956	4	122.0657	3.434	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-3:N-3:H-1:	C(CH3)(CCH)(NHN)	C(CC[6a]O)(CCN)(H)	N(CCC)(NCH)(H)	C(CH3)(CCH)(NHN)	C(CC[6a]O)(CCN)(H)	N(CCC)(NCH)(H)	120.7470	0.382	2	120.7470	0.146	2	120.7470	0.146	2	122.0657	3.434	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:N-3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C(CH3)(CCH)(NHN)	C(CCN)(CCO)(H)	N(NC[6a]2)(CCC)(H)	C(CH3)(CCH)(NHN)	C(CCN)(CCO)(H)	N(NC[6a]2)(CCC)(H)	121.9650	0.000	1	121.9650	0.000	1	121.7625	0.082	2	122.0657	3.434	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:N-3:	C-3:C-3:H-1:	N-3:C-3:H-1:	C(CH3)(CCH)(NHN)	C(CCN)(CCO)(H)	N(NC[6a]C)(CCC)(H)	C(CH3)(CCH)(NHN)	C(CCN)(CCO)(H)	N(NC[6a]C)(CCC)(H)	121.5600	0.000	1	121.5600	0.000	1	121.7625	0.082	2	122.0657	3.434	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:N-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[6a]C[6a]2)(CCN)(H)	N(CCC)(CCO)(H)	C(CC[5a]C[6a]H)(CC[6a]H)(NCH)	C(C[6a]C[6a]2)(CCN)(H)	N(CCC)(CCO)(H)	120.0280	0.000	1	120.0280	0.000	1	120.0280	0.000	1	122.0657	3.434	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	3:3:1:	C-4:N-3:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CC[6a]HH)(NC[6a]H)(CCH)	C(CCN)(CCO)(H)	N(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]HH)(NC[6a]H)(CCH)	C(CCN)(CCO)(H)	N(C[6a]C[6a]2)(CCC)(H)	121.5980	0.000	1	121.5980	0.000	1	121.2393	0.381	3	122.0657	3.434	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	3:3:1:	C-4:N-3:C-3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CC[6a]HH)(NC[6a]H)(CCH)	C(CC[6a]O)(CCN)(H)	N(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]HH)(NC[6a]H)(CCH)	C(CC[6a]O)(CCN)(H)	N(C[6a]C[6a]2)(CCC)(H)	121.0600	0.754	2	121.0600	0.568	2	121.2393	0.381	3	122.0657	3.434	12	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	3:4:4:	C[5]-4:C-3:N-3:	C-3:C-3:H-1:	C-3:C-4:C-4:	C(C[5]C[5]2Fe)(CCH)(NCC)	C(CC[5]C)(CC[5]N)(H)	N(CC[5]C)(CH3)2	C(C[5]C[5]2Fe)(CCH)(NCC)	C(CC[5]C)(CC[5]N)(H)	N(CC[5]C)(CH3)2	119.2720	0.000	1	119.2720	0.000	1	119.2720	0.000	1	119.2720	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	4:3:1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCCH)(CCH)(NCH)	C(CCN)(COO)(H)	N(CC[6a]CH)(CCC)(H)	C(CCCH)(CCH)(NCH)	C(CCN)(COO)(H)	N(CC[6a]CH)(CCC)(H)	121.9010	0.000	1	121.9010	0.000	1	122.5304	3.153	41	122.4828	3.051	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	4:3:1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCHH)(CCH)(NCH)	C(CCN)(CCO)(H)	N(CCCH)(CCC)(H)	C(CCHH)(CCH)(NCH)	C(CCN)(CCO)(H)	N(CCCH)(CCC)(H)	122.1080	0.000	1	122.1080	0.000	1	122.5304	3.153	41	122.4828	3.051	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	4:3:1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCHH)(CCH)(NCH)	C(CC[6a]O)(CCN)(H)	N(CCHH)(CCC)(H)	C(CCHH)(CCH)(NCH)	C(CC[6a]O)(CCN)(H)	N(CCHH)(CCC)(H)	121.8047	0.859	3	121.8047	0.737	3	122.5304	3.153	41	122.4828	3.051	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	4:3:1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CH3)(CCH)(NCH)	C(CCN)(CCO)(H)	N(CCCH)(CCC)(H)	C(CH3)(CCH)(NCH)	C(CCN)(CCO)(H)	N(CCCH)(CCC)(H)	121.7870	0.000	1	121.7870	0.000	1	122.5304	3.153	41	122.4828	3.051	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	4:3:1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CH3)(CCH)(NCH)	C(CCN)(CCO)(H)	N(CCHH)(CCC)(H)	C(CH3)(CCH)(NCH)	C(CCN)(CCO)(H)	N(CCHH)(CCC)(H)	121.6966	1.445	8	121.6966	2.088	8	122.5304	3.153	41	122.4828	3.051	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	4:3:1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CH3)(CCH)(NCH)	C(CCN)(CCO)(H)	N(CC[6a]HH)(CCC)(H)	C(CH3)(CCH)(NCH)	C(CCN)(CCO)(H)	N(CC[6a]HH)(CCC)(H)	122.2080	0.243	2	122.2080	0.059	2	122.5304	3.153	41	122.4828	3.051	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	4:3:1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CH3)(CCH)(NCH)	C(CCN)(COO)(H)	N(CCCH)(CCC)(H)	C(CH3)(CCH)(NCH)	C(CCN)(COO)(H)	N(CCCH)(CCC)(H)	122.3650	0.000	1	122.3650	0.000	1	122.5304	3.153	41	122.4828	3.051	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	4:3:1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CH3)(CCH)(NCH)	C(CCN)(COO)(H)	N(CCHH)(CCC)(H)	C(CH3)(CCH)(NCH)	C(CCN)(COO)(H)	N(CCHH)(CCC)(H)	122.7457	0.151	3	122.7457	0.023	3	122.5304	3.153	41	122.4828	3.051	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	4:3:1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CH3)(CCH)(NCH)	C(CCN)(COO)(H)	N(CC[6a]2H)(CCC)(H)	C(CH3)(CCH)(NCH)	C(CCN)(COO)(H)	N(CC[6a]2H)(CCC)(H)	123.3160	0.000	1	123.3160	0.000	1	122.5304	3.153	41	122.4828	3.051	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	4:3:1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CH3)(CCH)(NCH)	C(CCN)(COW)(H)	N(CH3)(CCC)(H)	C(CH3)(CCH)(NCH)	C(CCN)(COW)(H)	N(CH3)(CCC)(H)	123.6180	0.000	1	123.6180	0.000	1	122.5304	3.153	41	122.4828	3.051	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	4:3:1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CH3)(CCH)(NCH)	C(CCN)2(H)	N(CC3)(CCC)(H)	C(CH3)(CCH)(NCH)	C(CCN)2(H)	N(CC3)(CCC)(H)	120.6640	0.000	1	120.6640	0.000	1	122.5304	3.153	41	122.4828	3.051	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	4:3:1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CH3)(CCH)(NCH)	C(CCN)2(H)	N(CCHH)(CCC)(H)	C(CH3)(CCH)(NCH)	C(CCN)2(H)	N(CCHH)(CCC)(H)	125.9717	1.134	6	125.9717	1.285	6	122.5304	3.153	41	122.4828	3.051	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	4:3:1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CH3)(CCH)(NCH)	C(CCN)2(H)	N(CC[6a]CH)(CCC)(H)	C(CH3)(CCH)(NCH)	C(CCN)2(H)	N(CC[6a]CH)(CCC)(H)	121.3100	0.000	1	121.3100	0.000	1	122.5304	3.153	41	122.4828	3.051	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	4:3:1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CH3)(CCH)(NCH)	C(CCN)2(H)	N(CC[6a]HH)(CCC)(H)	C(CH3)(CCH)(NCH)	C(CCN)2(H)	N(CC[6a]HH)(CCC)(H)	122.3135	1.295	2	122.3135	1.676	2	122.5304	3.153	41	122.4828	3.051	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	4:3:1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CH3)(CCH)(NCH)	C(CC[5]O)(CCN)(H)	N(CCCH)(CCC)(H)	C(CH3)(CCH)(NCH)	C(CC[5]O)(CCN)(H)	N(CCCH)(CCC)(H)	120.6840	0.045	2	120.6840	0.002	2	122.5304	3.153	41	122.4828	3.051	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	4:3:1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CH3)(CCH)(NCH)	C(CC[5]O)(CCN)(H)	N(CCHH)(CCC)(H)	C(CH3)(CCH)(NCH)	C(CC[5]O)(CCN)(H)	N(CCHH)(CCC)(H)	121.2590	0.000	1	121.2590	0.000	1	122.5304	3.153	41	122.4828	3.051	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	4:3:1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CH3)(CCH)(NCH)	C(CC[6a]O)(CCN)(H)	N(CCHH)(CCC)(H)	C(CH3)(CCH)(NCH)	C(CC[6a]O)(CCN)(H)	N(CCHH)(CCC)(H)	121.2720	0.543	2	121.2720	0.295	2	122.5304	3.153	41	122.4828	3.051	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	4:3:1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CH3)(CCH)(NCH)	C(CC[6a]O)(CCN)(H)	N(CC[6a]CH)(CCC)(H)	C(CH3)(CCH)(NCH)	C(CC[6a]O)(CCN)(H)	N(CC[6a]CH)(CCC)(H)	121.8440	0.000	1	121.8440	0.000	1	122.5304	3.153	41	122.4828	3.051	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	4:3:1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CH3)(CCH)(NCH)	C(CC[6a]O)(CCN)(H)	N(CC[6a]HH)(CCC)(H)	C(CH3)(CCH)(NCH)	C(CC[6a]O)(CCN)(H)	N(CC[6a]HH)(CCC)(H)	121.8300	0.095	2	121.8300	0.009	2	122.5304	3.153	41	122.4828	3.051	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	4:3:1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CH3)(CCH)(NCH)	C(CCrO)(CCN)(H)	N(CH3)(CCC)(H)	C(CH3)(CCH)(NCH)	C(CCrO)(CCN)(H)	N(CH3)(CCC)(H)	123.9040	0.000	1	123.9040	0.000	1	122.5304	3.153	41	122.4828	3.051	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	4:3:1:	C[6]-4:N-3:C-3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C(C[6]C[6]2H)(NC[6]H)(CCH)	C(CC[6a]O)(CC[6]N)(H)	N(C[6]C[6]2H)(CC[6]C)(H)	C(C[6]C[6]2H)(NC[6]H)(CCH)	C(CC[6a]O)(CC[6]N)(H)	N(C[6]C[6]2H)(CC[6]C)(H)	121.5075	0.148	2	121.5075	0.022	2	121.5075	0.022	2	122.4828	3.051	43	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	4:3:3:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C(CC3)(CCH)(NCC)	C(CC[6a]O)(CCN)(H)	N(CC[6a]HH)(CCC)(CCO)	C(CC3)(CCH)(NCC)	C(CC[6a]O)(CCN)(H)	N(CC[6a]HH)(CCC)(CCO)	120.3490	0.000	1	120.3490	0.000	1	120.3490	0.000	1	120.3490	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	4:4:3:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CN[5a]HH)(CCH)(NCC)	C(CCN)(CCO)(H)	N(CCHH)2(CCC)	C(CN[5a]HH)(CCH)(NCC)	C(CCN)(CCO)(H)	N(CCHH)2(CCC)	121.5370	0.000	1	121.5370	0.000	1	121.5370	0.000	1	121.6385	0.335	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:1:	4:4:3:	C-4:C-3:N-3:	C-3:C-3:H-1:	C-4:S-4:C-3:	C(CF3)(CCH)(NCS)	C(CCN)(COO)(H)	N(CC[6a]CH)(SC[6a]OO)(CCC)	C(CF3)(CCH)(NCS)	C(CCN)(COO)(H)	N(CC[6a]CH)(SC[6a]OO)(CCC)	121.6723	0.704	3	121.6723	0.496	3	121.6723	0.496	3	121.6385	0.335	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:2:	3:1:1:	C-4:C-3:N-3:	C-3:C-3:N-2:	C-3:H-1:H-1:	C(CH3)(CCN)(NHH)	C(CCN)(CCO)(NN)	N(CCC)(H)2	C(CH3)(CCN)(NHH)	C(CCN)(CCO)(NN)	N(CCC)(H)2	119.8630	0.000	1	119.8630	0.000	1	119.9445	0.013	2	121.1685	2.003	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:2:	3:1:1:	C-4:C-3:N-3:	C-3:C-3:N-2:	C-3:H-1:H-1:	C(CH3)(CCN)(NHH)	C(CCN)(COO)(NN)	N(CCC)(H)2	C(CH3)(CCN)(NHH)	C(CCN)(COO)(NN)	N(CCC)(H)2	120.0260	0.000	1	120.0260	0.000	1	119.9445	0.013	2	121.1685	2.003	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:2:	3:1:1:	C-4:C-3:N-3:	C[6a]-3:C-3:C-2:	C-3:H-1:H-1:	C(CC[6a]HH)(CC[6a]C)(NHH)	C(C[6a]C[6a]2)(CCN)(CN)	N(CCC)(H)2	C(CC[6a]HH)(CC[6a]C)(NHH)	C(C[6a]C[6a]2)(CCN)(CN)	N(CCC)(H)2	122.3620	0.000	1	122.3620	0.000	1	122.3925	0.002	2	121.1685	2.003	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:2:	3:1:1:	C-4:C-3:N-3:	C[6a]-3:C-3:C-2:	C-3:H-1:H-1:	C(CC[6a]HH)(CC[6a]C)(NHH)	C(C[6a]C[6a]N[6a])(CCN)(CN)	N(CCC)(H)2	C(CC[6a]HH)(CC[6a]C)(NHH)	C(C[6a]C[6a]N[6a])(CCN)(CN)	N(CCC)(H)2	122.4230	0.000	1	122.4230	0.000	1	122.3925	0.002	2	121.1685	2.003	4	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:2:	4:3:1:	C-4:C-3:N-3:	C-3:C-3:C-2:	C-4:C-3:H-1:	C(CH3)(CCC)(NCH)	C(CCN)(CSS)(CN)	N(CC[6a]CH)(CCC)(H)	C(CH3)(CCC)(NCH)	C(CCN)(CSS)(CN)	N(CC[6a]CH)(CCC)(H)	121.8330	0.000	1	121.8330	0.000	1	121.8330	0.000	1	120.8400	0.799	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:2:	4:3:1:	C-4:C-3:N-3:	C-3:C-3:S-2:	C-4:C-3:H-1:	C(CH3)(CCS)(NCH)	C(CCN)2(SS)	N(CCHH)(CCC)(H)	C(CH3)(CCS)(NCH)	C(CCN)2(SS)	N(CCHH)(CCC)(H)	120.3435	0.344	2	120.3435	0.119	2	120.3435	0.119	2	120.8400	0.799	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:3:	3:1:1:	C-4:C-3:N-3:	C-3:C-3:C-3:	C-3:H-1:H-1:	C(CCHH)(CCC)(NHH)	C(CCN)(CCO)(COO)	N(CCC)(H)2	C(CCHH)(CCC)(NHH)	C(CCN)(CCO)(COO)	N(CCC)(H)2	122.5320	0.000	1	122.5320	0.000	1	123.8220	3.328	2	122.2020	9.537	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:3:	3:1:1:	C-4:C-3:N-3:	C-3:C-3:C-3:	C-3:H-1:H-1:	C(CHHN)(CCC)(NHH)	C(CCN)(CCS)(COO)	N(CCC)(H)2	C(CHHN)(CCC)(NHH)	C(CCN)(CCS)(COO)	N(CCC)(H)2	125.1120	0.000	1	125.1120	0.000	1	123.8220	3.328	2	122.2020	9.537	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:3:	3:1:1:	C-4:C-3:N-3:	C-3:N-3:N-3:	C-3:O-1:O-1:	C(CC[6a]CH)(CNN)(NOO)	C(CCN)(NCC)2	N(CCC)(O)2	C(CC[6a]CH)(CNN)(NOO)	C(CCN)(NCC)2	N(CCC)(O)2	118.9620	0.000	1	118.9620	0.000	1	118.9620	0.000	1	122.2020	9.537	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:3:	3:3:1:	C-4:N-3:C-3:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]CH)(NC[6a]H)(CCC)	C(CC[6a]C)(CC[6a]N)(CCN)	N(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]CH)(NC[6a]H)(CCC)	C(CC[6a]C)(CC[6a]N)(CCN)	N(C[6a]C[6a]2)(CCC)(H)	121.5050	0.000	1	121.5050	0.000	1	121.5050	0.000	1	121.5050	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	3:3:3:	4:3:1:	C-4:C-3:N-3:	C-3:C-3:C-3:	C-4:C-3:H-1:	C(CH3)(CCC)(NCH)	C(CCN)2(CHN)	N(CCHH)(CCC)(H)	C(CH3)(CCC)(NCH)	C(CCN)2(CHN)	N(CCHH)(CCC)(H)	120.1817	1.008	3	120.1817	1.016	3	120.1817	1.016	3	120.1817	1.016	3	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	4:3:1:	3:1:1:	C-4:C-3:N-3:	C-4:C-3:H-1:	C-3:O-1:O-1:	C(CCHH)(CCH)(NOO)	C(CCHH)(CCN)(H)	N(CCC)(O)2	C(CCHH)(CCH)(NOO)	C(CCHH)(CCN)(H)	N(CCC)(O)2	117.6210	0.000	1	117.6210	0.000	1	117.6210	0.000	1	117.6210	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	4:3:1:	3:3:1:	C-4:C-3:N-3:	P-4:C-3:H-1:	N-3:C-3:H-1:	C(CC3)(CHP)(NHN)	C(PC[6a]2Pd)(CCN)(H)	N(NPdC)(CCC)(H)	C(CC3)(CHP)(NHN)	C(PC[6a]2Pd)(CCN)(H)	N(NPdC)(CCC)(H)	124.1885	0.021	2	124.1885	0.000	2	124.1885	0.000	2	124.1885	0.000	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	4:3:1:	4:3:1:	C-4:C-3:N-3:	P-4:C-3:H-1:	C-4:C-3:H-1:	C(CH3)(CHP)(NCH)	C(PC[6a]3)(CCN)(H)	N(CC3)(CCC)(H)	C(CH3)(CHP)(NCH)	C(PC[6a]3)(CCN)(H)	N(CC3)(CCC)(H)	124.0480	0.030	2	124.0480	0.001	2	124.0480	0.001	2	124.0480	0.001	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	4:3:2:	3:3:3:	C-4:C-3:N-3:	C-4:C-3:S-2:	C-3:C-3:C-3:	C(CH3)(CCS)(NCC)	C(CH3)(CCN)(SS)	N(CCC)(CCO)(CHH)	C(CH3)(CCS)(NCC)	C(CH3)(CCN)(SS)	N(CCC)(CCO)(CHH)	120.7020	0.000	1	120.7020	0.000	1	120.7020	0.000	1	120.7020	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	4:3:2:	4:3:3:	C-4:C-3:N-3:	C-4:C-3:S-2:	C-4:C-3:C-3:	C(CH3)(CCS)(NCC)	C(CH3)(CCN)(SS)	N(CH3)(CCC)(CCO)	C(CH3)(CCS)(NCC)	C(CH3)(CCN)(SS)	N(CH3)(CCC)(CCO)	120.5620	0.000	1	120.5620	0.000	1	120.5620	0.000	1	120.5620	0.000	1	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	4:3:3:	3:3:1:	C-4:C-3:N-3:	C-4:C-3:C-3:	C-3:C-3:H-1:	C(CCHH)(CCC)(NCH)	C(CCHH)(CCN)(COO)	N(CCC)(CNO)(H)	C(CCHH)(CCC)(NCH)	C(CCHH)(CCN)(COO)	N(CCC)(CNO)(H)	121.3755	1.392	2	121.3755	1.938	2	121.3755	1.938	2	121.3755	1.938	2	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP2	C	C	N	4:3:3:	4:3:3:	4:3:1:	C-4:C-3:N-3:	C-4:C-3:C-3:	C-4:C-3:H-1:	C(CH3)(CCC)(NCH)	C(CH3)(CCN)2	N(CC[6a]HH)(CCC)(H)	C(CH3)(CCC)(NCH)	C(CH3)(CCN)2	N(CC[6a]HH)(CCC)(H)	122.1393	0.325	6	122.1393	0.106	6	122.1393	0.106	6	122.1393	0.106	6	119.4960	23.490	2554	119.4960	23.490	2554
930	930	956	0:SP2_SP2_SP3	C	C	N	2:3:3:	3:3:1:	3:1:1:	N-2:C-3:N-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[6])(CCH)(NHH)	C(CNN)2(H)	N(CCN)(H)2	C(NC[6])(CCH)(NHH)	C(CNN)2(H)	N(CCN)(H)2	119.1000	0.000	1	119.1000	0.000	1	119.1000	0.000	1	119.1000	0.000	1	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:1:	3:1:1:	4:4:3:	C-3:N-3:H-1:	C-3:H-1:H-1:	S-4:C-4:C-3:	C(CHH)(NCS)(H)	C(CHN)(H)2	N(SC[6a]OO)(CCHH)(CCH)	C(CHH)(NCS)(H)	C(CHN)(H)2	N(SC[6a]OO)(CCHH)(CCH)	125.6980	0.000	1	125.6980	0.000	1	125.6980	0.000	1	125.6980	0.000	1	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:1:	3:2:2:	3:1:1:	C-3:N-3:O-1:	C-3:C-2:C-2:	C-3:H-1:H-1:	C(CCC)(NHH)(O)	C(CNO)(CN)2	N(CCO)(H)2	C(CCC)(NHH)(O)	C(CNO)(CN)2	N(CCO)(H)2	117.9530	0.000	1	117.9530	0.000	1	117.9530	0.000	1	117.9530	0.000	1	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:1:	3:3:1:	3:3:2:	N-3:C-3:O-1:	C-3:C-3:H-1:	C[6a]-3:C-3:N-2:	C(NC[6a]N)(CCH)(O)	C(CCH)(CNO)(H)	N(C[6a]C[6a]N[6a])(CCO)(NC)	C(NC[6a]N)(CCH)(O)	C(CCH)(CNO)(H)	N(C[6a]C[6a]N[6a])(CCO)(NC)	115.4950	0.000	1	115.4950	0.000	1	115.4950	0.000	1	115.4950	0.000	1	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:1:	3:3:1:	3:3:3:	C-3:N-3:O-1:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:C-3:	C(CC[6a]O)(NC[6a]C)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(C[6a]C[6a]2)(CCO)2	C(CC[6a]O)(NC[6a]C)(O)	C(C[6a]C[6a]2)(CNO)(O)	N(C[6a]C[6a]2)(CCO)2	117.9540	0.000	1	117.9540	0.000	1	117.9540	0.000	1	117.9253	0.097	3	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:1:	3:3:1:	3:3:3:	N-3:C-3:O-1:	C-3:C-3:H-1:	C[6]-3:N-3:C-3:	C(NC[6]N)(CCH)(O)	C(CCH)(CNO)(H)	N(C[6]C[6]N[6])(NPdC)(CCO)	C(NC[6]N)(CCH)(O)	C(CCH)(CNO)(H)	N(C[6]C[6]N[6])(NPdC)(CCO)	117.9110	0.438	2	117.9110	0.192	2	117.9110	0.192	2	117.9253	0.097	3	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:Cl-1:	C[6a]-3:C-3:H-1:	C-4:S-4:C-3:	C(CC[6a]H)(NCS)(Cl)	C(C[6a]C[6a]2)(CClN)(H)	N(CC[6a]HH)(SC[6a]OO)(CClC)	C(CC[6a]H)(NCS)(Cl)	C(C[6a]C[6a]2)(CClN)(H)	N(CC[6a]HH)(SC[6a]OO)(CClC)	125.8100	0.000	1	125.8100	0.000	1	125.8100	0.000	1	125.4258	14.236	6	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:F-1:	C[6a]-3:C-3:H-1:	C-4:S-4:C-3:	C(CC[6a]H)(NCS)(F)	C(C[6a]C[6a]N[6a])(CFN)(H)	N(CC[6a]HH)(SC[6a]OO)(CCF)	C(CC[6a]H)(NCS)(F)	C(C[6a]C[6a]N[6a])(CFN)(H)	N(CC[6a]HH)(SC[6a]OO)(CCF)	127.5260	0.000	1	127.5260	0.000	1	127.5260	0.000	1	125.4258	14.236	6	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:H-1:	C-3:C-3:H-1:	S-4:C-4:C-3:	C(CCH)(NCS)(H)	C(CC[6a]C[4])(CHN)(H)	N(SC[6a]OO)(CC[4]HH)(CCH)	C(CCH)(NCS)(H)	C(CC[6a]C[4])(CHN)(H)	N(SC[6a]OO)(CC[4]HH)(CCH)	129.0450	0.000	1	129.0450	0.000	1	129.0450	0.000	1	125.4258	14.236	6	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:H-1:	C-3:N-3:H-1:	S-4:C-4:C-3:	C(CHN)(NCS)(H)	C(CHN)(NCS)(H)	N(SC[6a]OO)(CCHH)(CCH)	C(CHN)(NCS)(H)	C(CHN)(NCS)(H)	N(SC[6a]OO)(CCHH)(CCH)	125.0940	0.000	1	125.0940	0.000	1	125.0940	0.000	1	125.4258	14.236	6	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:1:	3:3:1:	4:4:3:	C-3:N-3:H-1:	C[6a]-3:C-3:H-1:	S-4:C-4:C-3:	C(CC[6a]H)(NCS)(H)	C(C[6a]C[6a]2)(CHN)(H)	N(SCOO)(CH3)(CCH)	C(CC[6a]H)(NCS)(H)	C(C[6a]C[6a]2)(CHN)(H)	N(SCOO)(CH3)(CCH)	126.8270	0.000	1	126.8270	0.000	1	126.8270	0.000	1	125.4258	14.236	6	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:1:	3:3:1:	4:4:3:	N-3:C-3:O-1:	C-3:C-3:H-1:	C[3]-4:C-4:C-3:	C(NC[3]C)(CCH)(O)	C(CC[5a]H)(CNO)(H)	N(C[3]C[3]2H)(CCHH)(CCO)	C(NC[3]C)(CCH)(O)	C(CC[5a]H)(CNO)(H)	N(C[3]C[3]2H)(CCHH)(CCO)	118.2530	0.000	1	118.2530	0.000	1	118.2530	0.000	1	125.4258	14.236	6	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:1:	3:3:2:	3:1:1:	C-3:N-3:O-1:	C-3:C-3:C-2:	C-3:H-1:H-1:	C(CCC)(NHH)(O)	C(CNO)(CNS)(CN)	N(CCO)(H)2	C(CCC)(NHH)(O)	C(CNO)(CNS)(CN)	N(CCO)(H)2	118.5760	0.000	1	118.5760	0.000	1	118.5760	0.000	1	118.5760	0.000	1	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:1:	3:3:2:	3:2:1:	C-3:N-3:O-1:	C[6a]-3:C-3:N-2:	C-3:N-2:H-1:	C(CC[6a]N)(NHN)(O)	C(C[6a]C[6a]2)(CNO)(NO)	N(CCO)(NC)(H)	C(CC[6a]N)(NHN)(O)	C(C[6a]C[6a]2)(CNO)(NO)	N(CCO)(NC)(H)	113.5000	0.000	1	113.5000	0.000	1	113.5000	0.000	1	113.5000	0.000	1	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:1:	3:3:2:	4:3:2:	C-3:N-3:O-1:	C[6a]-3:C-3:N-2:	C-4:C-3:O-2:	C(CC[6a]N)(NCO)(O)	C(C[6a]C[6a]2)(CNO)(NO)	N(CC[6a]HH)(CCO)(OC)	C(CC[6a]N)(NCO)(O)	C(C[6a]C[6a]2)(CNO)(NO)	N(CC[6a]HH)(CCO)(OC)	113.0790	0.000	1	113.0790	0.000	1	113.0790	0.000	1	113.0790	0.000	1	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:1:	3:3:3:	3:4:3:	C-3:N-3:H-1:	C[6a]-3:N[6]-3:C-3:	C[6a]-3:S-4:C-3:	C(CC[6a]N[6])(NC[6a]S)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C(CC[6a]N[6])(NC[6a]S)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CHN)	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	129.1810	0.000	1	129.1810	0.000	1	129.1810	0.000	1	122.0615	101.375	2	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:1:	3:3:3:	3:4:3:	N-3:C-3:O-1:	C-3:C-3:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(CCC)(O)	C(CC[6a]N)(CHN)(CNO)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	C(NC[6a]C)(CCC)(O)	C(CC[6a]N)(CHN)(CNO)	N(C[6a]C[6a]2)(CC[6a]HH)(CCO)	114.9420	0.000	1	114.9420	0.000	1	114.9420	0.000	1	122.0615	101.375	2	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:H-1:	C[6a]-3:C-3:N-3:	S-4:C-3:H-1:	C(CC[6a]N)(NHS)(H)	C(C[6a]C[6a]2)(CHN)(NCC)	N(SCOO)(CCH)(H)	C(CC[6a]N)(NHS)(H)	C(C[6a]C[6a]2)(CHN)(NCC)	N(SCOO)(CCH)(H)	121.7750	0.000	1	121.7750	0.000	1	121.8025	0.002	2	122.7380	1.272	4	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:H-1:	C[6a]-3:C-3:N-3:	S-4:C-3:H-1:	C(CC[6a]N)(NHS)(H)	C(C[6a]C[6a]2)(CHN)(NCH)	N(SCOO)(CCH)(H)	C(CC[6a]N)(NHS)(H)	C(C[6a]C[6a]2)(CHN)(NCH)	N(SCOO)(CCH)(H)	121.8300	0.000	1	121.8300	0.000	1	121.8025	0.002	2	122.7380	1.272	4	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(CC[6a]2)(NHS)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CHN)	N(SCOO)(CCH)(H)	C(CC[6a]2)(NHS)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CHN)	N(SCOO)(CCH)(H)	124.0690	0.000	1	124.0690	0.000	1	124.0690	0.000	1	122.7380	1.272	4	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:1:	3:3:3:	4:3:1:	C-3:N-3:H-1:	N[5a]-3:C[6a]-3:C-3:	S-4:C-3:H-1:	C(CC[6a]N[5a])(NHS)(H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHN)	N(SC[6a]OO)(CCH)(H)	C(CC[6a]N[5a])(NHS)(H)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CHN)	N(SC[6a]OO)(CCH)(H)	123.2780	0.000	1	123.2780	0.000	1	123.2780	0.000	1	122.7380	1.272	4	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:1:	3:3:3:	4:3:2:	C-3:N-3:O-1:	C-3:C[6a]-3:C-3:	C-4:C-3:O-2:	C(CC[6a]C)(NCO)(O)	C(CC[5a]C[6a])(C[6a]C[6a]2)(CNO)	N(CH3)(CCO)(OC)	C(CC[6a]C)(NCO)(O)	C(CC[5a]C[6a])(C[6a]C[6a]2)(CNO)	N(CH3)(CCO)(OC)	116.4930	0.000	1	116.4930	0.000	1	116.4930	0.000	1	116.4930	0.000	1	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:1:	3:3:3:	4:4:3:	C-3:N-3:H-1:	C[5a]-3:C[6a]-3:C-3:	S-4:C-4:C-3:	C(CC[5a]C[6a])(NCS)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHN)	N(SC[6a]OO)(CCHH)(CCH)	C(CC[5a]C[6a])(NCS)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CHN)	N(SC[6a]OO)(CCHH)(CCH)	131.0980	0.000	1	131.0980	0.000	1	131.0980	0.000	1	131.0980	0.000	1	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:1:	3:4:1:	4:4:3:	C-3:N-3:Cl-1:	C-3:C-4:H-1:	C-4:S-4:C-3:	C(CCH)(NCS)(Cl)	C(CClN)(CH3)(H)	N(CC[6a]HH)(SC[6a]OO)(CClC)	C(CCH)(NCS)(Cl)	C(CClN)(CH3)(H)	N(CC[6a]HH)(SC[6a]OO)(CClC)	124.8290	0.000	1	124.8290	0.000	1	124.8290	0.000	1	124.8290	0.000	1	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:1:	3:4:3:	3:1:1:	C-3:N-3:H-1:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:	C(CC[6a]C)(NHH)(H)	C(C[6a]N[6a]2)(CCHH)(CHN)	N(CCH)(H)2	C(CC[6a]C)(NHH)(H)	C(C[6a]N[6a]2)(CCHH)(CHN)	N(CCH)(H)2	126.7030	0.000	1	126.7030	0.000	1	126.7030	0.000	1	126.7030	0.000	1	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:1:	3:4:3:	4:4:3:	C-3:N-3:H-1:	C[6a]-3:C-4:C-3:	C-4:S-4:C-3:	C(CC[6a]C)(NCS)(H)	C(C[6a]C[6a]2)(CC[6]HO)(CHN)	N(CC[6a]HH)(SC[6a]OO)(CCH)	C(CC[6a]C)(NCS)(H)	C(C[6a]C[6a]2)(CC[6]HO)(CHN)	N(CC[6a]HH)(SC[6a]OO)(CCH)	125.5440	0.235	2	125.5440	0.055	2	125.5440	0.055	2	125.0697	0.703	3	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:1:	3:4:3:	4:4:3:	C-3:N-3:H-1:	C[6a]-3:Si-4:C-3:	C[6]-4:S-4:C-3:	C(CC[6a]Si)(NC[6]S)(H)	C(C[6a]C[6a]2)(SiCCH)(CHN)	N(C[6]C[6]2H)(SC[6a]OO)(CCH)	C(CC[6a]Si)(NC[6]S)(H)	C(C[6a]C[6a]2)(SiCCH)(CHN)	N(C[6]C[6]2H)(SC[6a]OO)(CCH)	124.1210	0.000	1	124.1210	0.000	1	124.1210	0.000	1	125.0697	0.703	3	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:1:	4:2:3:	4:3:1:	C-3:N-3:H-1:	C[6]-4:S-2:C-3:	S-4:C-3:H-1:	C(CC[6]S)(NHS)(H)	C(C[6]C[6]N[6]H)(SC[6a])(CHN)	N(SC[6a]OO)(CCH)(H)	C(CC[6]S)(NHS)(H)	C(C[6]C[6]N[6]H)(SC[6a])(CHN)	N(SC[6a]OO)(CCH)(H)	126.6410	0.000	1	126.6410	0.000	1	126.6410	0.000	1	126.6410	0.000	1	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:1:	4:3:1:	3:4:3:	N-3:C-3:H-1:	C-4:C-3:I-1:	C[6a]-3:S-4:C-3:	C(NC[6a]S)(CCI)(H)	C(CC[5a]HH)(CHN)(I)	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C(NC[6a]S)(CCI)(H)	C(CC[5a]HH)(CHN)(I)	N(C[6a]C[6a]2)(SC[6a]OO)(CCH)	125.6510	0.000	1	125.6510	0.000	1	125.6510	0.000	1	125.6510	0.000	1	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:1:	4:3:1:	4:4:3:	C-3:N-3:Cl-1:	C-4:C-3:H-1:	C-4:S-4:C-3:	C(CCH)(NCS)(Cl)	C(CCHO)(CClN)(H)	N(CC[6a]HH)(SC[6a]OO)(CClC)	C(CCH)(NCS)(Cl)	C(CCHO)(CClN)(H)	N(CC[6a]HH)(SC[6a]OO)(CClC)	123.1025	0.818	2	123.1025	0.669	2	123.1025	0.669	2	123.1025	0.669	2	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:1:	4:3:3:	3:3:3:	N-3:C-3:O-1:	C-4:C-3:C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(CCC)(O)	C(CCHH)(CHH)(CNO)	N(C[6a]C[6a]2)(CCO)2	C(NC[6a]C)(CCC)(O)	C(CCHH)(CHH)(CNO)	N(C[6a]C[6a]2)(CCO)2	117.8570	0.000	1	117.8570	0.000	1	117.8570	0.000	1	117.8570	0.000	1	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:1:	4:4:3:	4:4:3:	C-3:N-3:H-1:	C-4:S-4:C-3:	C-4:C-4:C-3:	C(CCS)(NCC)(H)	C(CC[5a]CH)(SC[6a]OO)(CHN)	N(CC[6a]HH)(CCHH)(CCH)	C(CCS)(NCC)(H)	C(CC[5a]CH)(SC[6a]OO)(CHN)	N(CC[6a]HH)(CCHH)(CCH)	127.4520	0.000	1	127.4520	0.000	1	127.4520	0.000	1	127.4520	0.000	1	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:2:	3:2:2:	3:1:1:	C-3:N-3:C-2:	C-3:C-2:N-2:	C-3:H-1:H-1:	C(CCN)(NHH)(CN)	C(CCN)(CN)(NC)	N(CCC)(H)2	C(CCN)(NHH)(CN)	C(CCN)(CN)(NC)	N(CCC)(H)2	125.1210	0.000	1	125.1210	0.000	1	125.1210	0.000	1	125.1210	0.000	1	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:2:	3:2:3:	4:4:3:	C-3:N-3:N-2:	C[6a]-3:O-2:C-3:	S-4:C-4:C-3:	C(CC[6a]O)(NCS)(NC)	C(C[6a]C[6a,6a]C[6a])(OC[6a])(CNN)	N(SC[6a]OO)(CH3)(CCN)	C(CC[6a]O)(NCS)(NC)	C(C[6a]C[6a,6a]C[6a])(OC[6a])(CNN)	N(SC[6a]OO)(CH3)(CCN)	118.1890	0.000	1	118.1890	0.000	1	119.6990	4.560	2	119.6990	4.560	2	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:2:	3:2:3:	4:4:3:	C-3:N-3:N-2:	C[6a]-3:O-2:C-3:	S-4:C-4:C-3:	C(CC[6a]O)(NCS)(NC)	C(C[6a]C[6a]2)(OC[6a])(CNN)	N(SC[6a]OO)(CH3)(CCN)	C(CC[6a]O)(NCS)(NC)	C(C[6a]C[6a]2)(OC[6a])(CNN)	N(SC[6a]OO)(CH3)(CCN)	121.2090	0.000	1	121.2090	0.000	1	119.6990	4.560	2	119.6990	4.560	2	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:2:	3:3:1:	3:1:1:	C-3:N-3:N-2:	C[6a]-3:C-3:O-1:	C-3:H-1:H-1:	C(CC[6a]O)(NHH)(NO)	C(C[6a]C[6a]2)(CNN)(O)	N(CCN)(H)2	C(CC[6a]O)(NHH)(NO)	C(C[6a]C[6a]2)(CNN)(O)	N(CCN)(H)2	116.0460	0.000	1	116.0460	0.000	1	116.0460	0.000	1	116.0460	0.000	1	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:2:	3:3:1:	4:4:3:	C-3:N-3:C-2:	C-3:N-3:H-1:	C-4:C-4:C-3:	C(CHN)(NCC)(CN)	C(CCN)(NCC)(H)	N(CCHH)2(CCC)	C(CHN)(NCC)(CN)	C(CCN)(NCC)(H)	N(CCHH)2(CCC)	124.3857	0.088	3	124.3857	0.008	3	124.3857	0.008	3	120.9603	9.567	8	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:2:	3:3:1:	4:4:3:	C-3:N-3:C-2:	C[5a]-3:C-3:H-1:	C-4:S-4:C-3:	C(CC[5a]H)(NCS)(CC)	C(C[5a]C[5a]S[5a])(CCN)(H)	N(CC[6a]HH)(SC[6a]OO)(CCC)	C(CC[5a]H)(NCS)(CC)	C(C[5a]C[5a]S[5a])(CCN)(H)	N(CC[6a]HH)(SC[6a]OO)(CCC)	120.5100	0.000	1	120.5100	0.000	1	120.5100	0.000	1	120.9603	9.567	8	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:2:	3:3:1:	4:4:3:	C-3:N-3:N-2:	C-3:C-3:H-1:	S-4:C-4:C-3:	C(CCH)(NCS)(NC)	C(CCC)(CNN)(H)	N(SC[6a]OO)(CH3)(CCN)	C(CCH)(NCS)(NC)	C(CCC)(CNN)(H)	N(SC[6a]OO)(CH3)(CCN)	117.7747	0.719	3	117.7747	0.518	3	117.7747	0.518	3	120.9603	9.567	8	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:2:	3:3:1:	4:4:3:	C-3:N-3:N-2:	C[6a]-3:C-3:H-1:	S-4:C-4:C-3:	C(CC[6a]H)(NCS)(NS)	C(C[6a]C[6a]2)(CNN)(H)	N(SC[6a]OO)(CH3)(CCN)	C(CC[6a]H)(NCS)(NS)	C(C[6a]C[6a]2)(CNN)(H)	N(SC[6a]OO)(CH3)(CCN)	120.6910	0.000	1	120.6910	0.000	1	120.6910	0.000	1	120.9603	9.567	8	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:2:	3:3:2:	3:1:1:	C-3:N-3:C-2:	C-3:N-3:C-2:	C-3:H-1:H-1:	C(CCN)(NHH)(CN)	C(CCN)(NHH)(CN)	N(CCC)(H)2	C(CCN)(NHH)(CN)	C(CCN)(NHH)(CN)	N(CCC)(H)2	123.9315	0.054	2	123.9315	0.003	2	123.9315	0.003	2	123.9315	0.003	2	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:2:	3:3:3:	3:1:1:	C-3:N-3:N-2:	C-3:N-3:N-3:	C-3:H-1:H-1:	C(CNN)(NHH)(NO)	C(CNN)(NHH)(NHO)	N(CCN)(H)2	C(CNN)(NHH)(NO)	C(CNN)(NHH)(NHO)	N(CCN)(H)2	117.4930	0.000	1	117.4930	0.000	1	117.4930	0.000	1	117.4930	0.000	1	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:2:	4:3:1:	4:4:3:	C-3:N-3:O-2:	C-4:C-3:H-1:	C-4:S-4:C-3:	C(CCH)(NCS)(OC)	C(CH3)(CNO)(H)	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(CCH)(NCS)(OC)	C(CH3)(CNO)(H)	N(CC[6a]HH)(SC[6a]OO)(CCO)	123.3782	1.224	4	123.3782	1.499	4	123.3782	1.499	4	123.3782	1.499	4	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:2:	4:3:2:	3:1:1:	C-3:N-3:S-2:	C-4:C-3:C-2:	C-3:H-1:H-1:	C(CCC)(NHH)(SC)	C(CCHH)(CNS)(CN)	N(CCS)(H)2	C(CCC)(NHH)(SC)	C(CCHH)(CNS)(CN)	N(CCS)(H)2	124.6040	0.000	1	124.6040	0.000	1	124.6040	0.000	1	124.6040	0.000	1	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:2:	4:4:3:	4:4:3:	C-3:N-3:O-2:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(CCC)(NCC)(OZr)	C(CH3)2(CNO)	N(CH3)2(CCO)	C(CCC)(NCC)(OZr)	C(CH3)2(CNO)	N(CH3)2(CCO)	121.8570	0.000	1	121.8570	0.000	1	121.8570	0.000	1	121.8570	0.000	1	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:3:	2:3:3:	4:4:3:	C-3:C-3:N-3:	S-2:C-3:C-3:	C-4:S-4:C-3:	C(CCS)(COO)(NCS)	C(SC[6a])(CCN)(COO)	N(CC[6a]CH)(SC[6a]OO)(CCC)	C(CCS)(COO)(NCS)	C(SC[6a])(CCN)(COO)	N(CC[6a]CH)(SC[6a]OO)(CCC)	122.0150	0.000	1	122.0150	0.000	1	122.0150	0.000	1	122.0150	0.000	1	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:3:	3:1:1:	3:3:4:	C[6a]-3:N-3:C-3:	C-3:H-1:H-1:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CHH)	C(CC[6a]N)(H)2	N(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(NC[6a]C)(CHH)	C(CC[6a]N)(H)2	N(C[6a]C[6a]2)(CC[6a]C)(CCHH)	120.1830	0.000	1	120.1830	0.000	1	120.1830	0.000	1	120.1830	0.000	1	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:3:	3:2:1:	3:3:4:	C[6a]-3:N-3:C-3:	C-3:C-2:H-1:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	C(CC[6a]N)(CC)(H)	N(C[6a]C[6a]2)(CC[6a]C)(CH3)	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	C(CC[6a]N)(CC)(H)	N(C[6a]C[6a]2)(CC[6a]C)(CH3)	121.8695	0.278	2	121.8695	0.077	2	121.8695	0.077	2	121.8695	0.077	2	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:3:	3:2:1:	4:3:1:	C-3:C-3:N-3:	C-3:O-2:O-1:	S-4:C-3:H-1:	C(CCH)(COO)(NHS)	C(CCN)(OC)(O)	N(SC[6a]OO)(CCC)(H)	C(CCH)(COO)(NHS)	C(CCN)(OC)(O)	N(SC[6a]OO)(CCC)(H)	116.3880	0.000	1	116.3880	0.000	1	116.3880	0.000	1	117.3893	0.752	3	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:3:	3:2:1:	4:3:1:	C[5]-3:C-3:N-3:	C-3:O-2:O-1:	S-4:C-3:H-1:	C(C[5]C[5]2)(COO)(NHS)	C(CC[5]N)(OC)(O)	N(SC[6a]OO)(CC[5]C)(H)	C(C[5]C[5]2)(COO)(NHS)	C(CC[5]N)(OC)(O)	N(SC[6a]OO)(CC[5]C)(H)	117.8900	0.000	2	117.8900	0.000	2	117.8900	0.000	2	117.3893	0.752	3	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:3:	3:2:1:	4:4:3:	C-3:C-3:N-3:	C-3:O-2:O-1:	C-4:C-4:C-3:	C(CCC)(COO)(NCC)	C(CCN)(OC)(O)	N(CCHH)2(CCC)	C(CCC)(COO)(NCC)	C(CCN)(OC)(O)	N(CCHH)2(CCC)	116.9735	0.452	2	116.9735	0.204	2	116.9735	0.204	2	116.1143	2.317	3	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:3:	3:2:1:	4:4:3:	C-3:C-3:N-3:	C-3:O-2:O-1:	C-4:S-4:C-3:	C(CCS)(COO)(NCS)	C(CCN)(OC)(O)	N(CC[6a]CH)(SC[6a]OO)(CCC)	C(CCS)(COO)(NCS)	C(CCN)(OC)(O)	N(CC[6a]CH)(SC[6a]OO)(CCC)	114.3960	0.000	1	114.3960	0.000	1	114.3960	0.000	1	116.1143	2.317	3	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:3:	3:3:1:	3:1:1:	N-3:C-3:N-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(NC[6]H)(CCH)(NHH)	C(CNN)2(H)	N(CCN)(H)2	C(NC[6]H)(CCH)(NHH)	C(CNN)2(H)	N(CCN)(H)2	118.6193	0.302	3	118.6193	0.091	3	118.6193	0.091	3	118.6193	0.091	3	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C-3:N-3:	C-3:C-3:H-1:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(NCH)	C(CC[6a]N)(CC[5]O)(H)	N(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C(CC[6a]N)(CC[5]O)(H)	N(CC[6a]C)(CCHH)(H)	121.7450	0.000	1	121.7450	0.000	1	121.7450	0.000	1	121.7450	0.000	1	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:N-3:	C-3:C-3:H-1:	S-4:C-3:H-1:	C(CCH)2(NHS)	C(CCN)(COO)(H)	N(SC[6a]OO)(CCC)(H)	C(CCH)2(NHS)	C(CCN)(COO)(H)	N(SC[6a]OO)(CCC)(H)	120.6050	0.000	1	120.6050	0.000	1	119.0260	4.986	2	119.5049	10.702	8	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:N-3:	C-3:C-3:H-1:	S-4:C-3:H-1:	C(CCH)2(NHS)	C(CC[6a]H)(CCN)(H)	N(SC[6a]OO)(CCC)(H)	C(CCH)2(NHS)	C(CC[6a]H)(CCN)(H)	N(SC[6a]OO)(CCC)(H)	117.4470	0.000	1	117.4470	0.000	1	119.0260	4.986	2	119.5049	10.702	8	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:N-3:	C-3:N-3:H-1:	S-4:C-3:H-1:	C(CC[6a]O)(CHN)(NHS)	C(CCN)(NCC)(H)	N(SC[6a]OO)(CCC)(H)	C(CC[6a]O)(CHN)(NHS)	C(CCN)(NCC)(H)	N(SC[6a]OO)(CCC)(H)	123.4925	0.086	2	123.4925	0.007	2	123.4925	0.007	2	119.5049	10.702	8	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:N-3:	C[6a]-3:C-3:O-1:	S-4:C-3:H-1:	C(CC[6a]O)(CHN)(NHS)	C(C[6a]C[6a]2)(CCN)(O)	N(SC[6a]OO)(CCC)(H)	C(CC[6a]O)(CHN)(NHS)	C(C[6a]C[6a]2)(CCN)(O)	N(SC[6a]OO)(CCC)(H)	115.2440	0.021	2	115.2440	0.000	2	115.2440	0.000	2	119.5049	10.702	8	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:3:	3:3:1:	4:3:1:	C[5]-3:C-3:N-3:	C[6a]-3:C-3:O-1:	S-4:C-3:H-1:	C(C[5]C[5]N[5])(CC[6a]O)(NHS)	C(C[6a]C[6a]2)(CC[5]N)(O)	N(SC[6a]OO)(CC[5]C)(H)	C(C[5]C[5]N[5])(CC[6a]O)(NHS)	C(C[6a]C[6a]2)(CC[5]N)(O)	N(SC[6a]OO)(CC[5]C)(H)	120.5860	0.000	1	120.5860	0.000	1	120.5860	0.000	1	119.5049	10.702	8	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C-3:N-3:	C-3:C-3:H-1:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NHS)	C(CC[6a]N)(CCO)(H)	N(SC[6a]OO)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)(NHS)	C(CC[6a]N)(CCO)(H)	N(SC[6a]OO)(CC[6a]C)(H)	119.9280	0.000	1	119.9280	0.000	1	119.9280	0.000	1	119.5049	10.702	8	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:3:	3:3:1:	4:3:3:	C-3:C-3:N-3:	C-3:C-3:H-1:	C-4:C-3:N-3:	C(CCH)(CCO)(NCN)	C(CCH)(CCN)(H)	N(CCHH)(CCC)(NCH)	C(CCH)(CCO)(NCN)	C(CCH)(CCN)(H)	N(CCHH)(CCC)(NCH)	119.3820	0.000	1	119.3820	0.000	1	119.3820	0.000	1	117.3570	8.201	2	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:3:	3:3:1:	4:3:3:	C-3:C-3:N-3:	C-3:C-3:O-1:	C-4:C-3:N-3:	C(CCH)(CCO)(NCN)	C(CCH)(CCN)(O)	N(CCHH)(CCC)(NCH)	C(CCH)(CCO)(NCN)	C(CCH)(CCN)(O)	N(CCHH)(CCC)(NCH)	115.3320	0.000	1	115.3320	0.000	1	115.3320	0.000	1	117.3570	8.201	2	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:3:	3:3:1:	4:4:3:	C-3:N-3:N-3:	C[6a]-3:C-3:H-1:	C-4:S-4:C-3:	C(CC[6a]H)(NCH)(NCS)	C(C[6a]C[6a]2)(CNN)(H)	N(CC[6a]HH)(SC[6a]OO)(CCN)	C(CC[6a]H)(NCH)(NCS)	C(C[6a]C[6a]2)(CNN)(H)	N(CC[6a]HH)(SC[6a]OO)(CCN)	126.4010	0.000	1	126.4010	0.000	1	126.4010	0.000	1	123.2280	4.614	4	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:3:	3:3:1:	4:4:3:	C-3:N-3:N-3:	C[6a]-3:C-3:H-1:	S-4:C-4:C-3:	C(CC[6a]H)(NCS)2	C(C[6a]C[6a]2)(CNN)(H)	N(SCOO)(CH3)(CCN)	C(CC[6a]H)(NCS)2	C(C[6a]C[6a]2)(CNN)(H)	N(SCOO)(CH3)(CCN)	122.6350	0.000	1	122.6350	0.000	1	122.6350	0.000	1	123.2280	4.614	4	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:3:	3:3:1:	4:4:3:	C[4]-3:C-3:N-3:	C[6a]-3:C-3:H-1:	C-4:S-4:C-3:	C(C[4]C[4]2)(CC[6a]H)(NCS)	C(C[6a]C[6a]2)(CC[4]N)(H)	N(CC[6a]HH)(SC[6a]OO)(CC[4]C)	C(C[4]C[4]2)(CC[6a]H)(NCS)	C(C[6a]C[6a]2)(CC[4]N)(H)	N(CC[6a]HH)(SC[6a]OO)(CC[4]C)	122.1540	0.000	1	122.1540	0.000	1	122.1540	0.000	1	123.2280	4.614	4	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:3:	3:3:1:	4:4:3:	C[6a]-3:C-3:N-3:	C-3:C-3:H-1:	C-4:S-4:C-3:	C(C[6a]C[6a]2)(CCH)(NCS)	C(CC[6a]N)(CNO)(H)	N(CC[6a]HH)(SC[6a]OO)(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(NCS)	C(CC[6a]N)(CNO)(H)	N(CC[6a]HH)(SC[6a]OO)(CC[6a]C)	121.7220	0.000	1	121.7220	0.000	1	121.7220	0.000	1	123.2280	4.614	4	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:3:	3:3:2:	4:3:1:	C-3:C-3:N-3:	C[6a]-3:C-3:C-2:	C-4:C-3:H-1:	C(CC[6a]C)2(NCH)	C(C[6a]C[6a]2)(CCN)(CN)	N(CC[6a]2C)(CCC)(H)	C(CC[6a]C)2(NCH)	C(C[6a]C[6a]2)(CCN)(CN)	N(CC[6a]2C)(CCC)(H)	120.6300	0.000	1	120.6300	0.000	1	120.6300	0.000	1	120.6300	0.000	1	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:N-3:	C-3:C-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCC)(NHH)	C(CC[6a]N)(CNN)(CNO)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCC)(NHH)	C(CC[6a]N)(CNN)(CNO)	N(CC[6a]C)(H)2	124.3970	0.000	1	124.3970	0.000	1	124.3970	0.000	1	124.3970	0.000	1	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]2)(NCH)	C(C[6a]C[6a]2)2(CC[6a]N)	N(CC[6a]C)(CC3)(H)	C(C[6a]C[6a]2)(CC[6a]2)(NCH)	C(C[6a]C[6a]2)2(CC[6a]N)	N(CC[6a]C)(CC3)(H)	122.0940	0.000	1	122.0940	0.000	1	122.0940	0.000	1	122.0940	0.000	1	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:3:	3:3:3:	4:3:1:	C-3:C-3:N-3:	C[6a]-3:C-3:C-3:	C-4:C-3:H-1:	C(CC[6a]C)2(NCH)	C(C[6a]C[6a]2)(CC[6a]2)(CCN)	N(CC[6a]2C)(CCC)(H)	C(CC[6a]C)2(NCH)	C(C[6a]C[6a]2)(CC[6a]2)(CCN)	N(CC[6a]2C)(CCC)(H)	121.5570	0.000	1	121.5570	0.000	1	121.5570	0.000	1	121.5570	0.000	1	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:3:	3:4:1:	3:4:3:	C[6a]-3:C-3:N-3:	C-3:C-4:H-1:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CCH)(NCC)	C(CC[6a]N)(CH3)(H)	N(CC[6a]C)(CH3)(CNO)	C(C[6a]C[6a]2)(CCH)(NCC)	C(CC[6a]N)(CH3)(H)	N(CC[6a]C)(CH3)(CNO)	120.1420	0.375	2	120.1420	0.140	2	120.1420	0.140	2	120.1420	0.140	2	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:3:	3:4:1:	4:3:4:	C[6a]-3:C-3:N-3:	C-3:C-4:H-1:	S-4:C-3:C-4:	C(C[6a]C[6a]2)(CCH)(NCS)	C(CC[6a]N)(CCHH)(H)	N(SC[6a]OO)(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CCH)(NCS)	C(CC[6a]N)(CCHH)(H)	N(SC[6a]OO)(CC[6a]C)(CCHH)	120.8550	0.000	1	120.8550	0.000	1	120.8550	0.000	1	120.8550	0.000	1	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:3:	3:4:1:	4:4:3:	C[5]-3:C-3:N-3:	C-3:C-4:H-1:	C-4:S-4:C-3:	C(C[5]C[5]2)(CCH)(NCS)	C(CC[5]N)(CH3)(H)	N(CC[6a]HH)(SC[6a]OO)(CC[5]C)	C(C[5]C[5]2)(CCH)(NCS)	C(CC[5]N)(CH3)(H)	N(CC[6a]HH)(SC[6a]OO)(CC[5]C)	121.0730	0.000	1	121.0730	0.000	1	121.0730	0.000	1	121.0730	0.000	1	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:3:	4:3:1:	3:1:1:	C[6a]-3:C-3:N-3:	S-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHS)(NHH)	C(SC[6]OO)(CC[6a]N)(H)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CHS)(NHH)	C(SC[6]OO)(CC[6a]N)(H)	N(CC[6a]C)(H)2	126.3810	0.000	1	126.3810	0.000	1	125.7475	0.803	2	125.7475	0.803	2	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:3:	4:3:1:	3:1:1:	C[6a]-3:C-3:N-3:	S-4:C-3:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHS)(NHH)	C(SC[6a]OO)(CC[6a]N)(H)	N(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CHS)(NHH)	C(SC[6a]OO)(CC[6a]N)(H)	N(CC[6a]C)(H)2	125.1140	0.000	1	125.1140	0.000	1	125.7475	0.803	2	125.7475	0.803	2	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:3:	4:3:1:	4:3:1:	C-3:C-3:N-3:	C-4:C-3:H-1:	S-4:C-3:H-1:	C(CCH)(COO)(NHS)	C(CC[6a]CH)(CCN)(H)	N(SC[6a]OO)(CCC)(H)	C(CCH)(COO)(NHS)	C(CC[6a]CH)(CCN)(H)	N(SC[6a]OO)(CCC)(H)	120.1190	0.000	1	120.1190	0.000	1	120.1190	0.000	1	119.0830	12.563	3	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:3:	4:3:1:	4:3:1:	C[5a]-3:C-3:N-3:	C-4:C-3:O-1:	S-4:C-3:H-1:	C(C[5a]C[5a]N[5a])(CCO)(NHS)	C(CN[5]HH)(CC[5a]N)(O)	N(SC[6a]OO)(CC[5a]C)(H)	C(C[5a]C[5a]N[5a])(CCO)(NHS)	C(CN[5]HH)(CC[5a]N)(O)	N(SC[6a]OO)(CC[5a]C)(H)	115.1360	0.000	1	115.1360	0.000	1	115.1360	0.000	1	119.0830	12.563	3	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:3:	4:3:1:	4:3:1:	C[6a]-3:C-3:N-3:	C-4:C-3:H-1:	S-4:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(NHS)	C(CC[6a]C[5]H)(CC[6a]N)(H)	N(SC[6a]OO)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)(NHS)	C(CC[6a]C[5]H)(CC[6a]N)(H)	N(SC[6a]OO)(CC[6a]C)(H)	121.9940	0.000	1	121.9940	0.000	1	121.9940	0.000	1	119.0830	12.563	3	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:3:3:	4:3:3:	4:4:3:	C-3:C-3:N-3:	C-4:C-3:C-3:	C-4:C-4:C-3:	C(CCC)(COO)(NCC)	C(CC[5a]HH)(CCN)(COO)	N(CCHH)2(CCC)	C(CCC)(COO)(NCC)	C(CC[5a]HH)(CCN)(COO)	N(CCHH)2(CCC)	122.2965	0.136	2	122.2965	0.019	2	122.2965	0.019	2	122.2965	0.019	2	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:1:1:	3:4:3:	N-3:C-4:C-3:	C-3:H-1:H-1:	C[6a]-3:S-4:C-3:	C(NC[6a]S)(CHHN)(CHH)	C(CCN)(H)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCC)	C(NC[6a]S)(CHHN)(CHH)	C(CCN)(H)2	N(C[6a]C[6a]2)(SC[6a]OO)(CCC)	119.7250	0.000	1	119.7250	0.000	1	119.7250	0.000	1	119.7250	0.000	1	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	3:4:3:	3:3:1:	4:3:1:	C-3:C-4:N-3:	C[6a]-3:C-3:Cl-1:	S-4:C-3:H-1:	C(CC[6a]Cl)(CClHH)(NHS)	C(C[6a]C[6a]2)(CCN)(Cl)	N(SC[6a]OO)(CCC)(H)	C(CC[6a]Cl)(CClHH)(NHS)	C(C[6a]C[6a]2)(CCN)(Cl)	N(SC[6a]OO)(CCC)(H)	121.9310	0.000	1	121.9310	0.000	1	121.9310	0.000	1	121.9310	0.000	1	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:	3:4:4:	C[5]-4:C-3:N-3:	C-3:H-1:H-1:	C-3:C-4:C-4:	C(C[5]C[5]2Co)(CHH)(NCC)	C(CC[5]N)(H)2	N(CC[5]C)(CH3)2	C(C[5]C[5]2Co)(CHH)(NCC)	C(CC[5]N)(H)2	N(CC[5]C)(CH3)2	124.2990	0.000	1	124.2990	0.000	1	124.1795	0.417	4	124.1795	0.417	4	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:	3:4:4:	C[5]-4:C-3:N-3:	C-3:H-1:H-1:	C-3:C-4:C-4:	C(C[5]C[5]2Fe)(CHH)(NCC)	C(CC[5]N)(H)2	N(CC[5]C)(CH3)2	C(C[5]C[5]2Fe)(CHH)(NCC)	C(CC[5]N)(H)2	N(CC[5]C)(CH3)2	124.5640	0.387	2	124.5640	0.150	2	124.1795	0.417	4	124.1795	0.417	4	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:1:1:	3:4:4:	C[5]-4:C-3:N-3:	C-3:H-1:H-1:	C-3:C-4:C-4:	C(C[5]C[5]2Zr)(CHH)(NCC)	C(CC[5]N)(H)2	N(CC[5]C)(CH3)2	C(C[5]C[5]2Zr)(CHH)(NCC)	C(CC[5]N)(H)2	N(CC[5]C)(CH3)2	123.2910	0.000	1	123.2910	0.000	1	124.1795	0.417	4	124.1795	0.417	4	121.4275	14.143	106	121.4275	14.143	106
930	930	956	0:SP2_SP2_SP3	C	C	N	4:3:3:	3:3:1:	4:4:3:	C-4:C-3:N-3:	C-3:C-3:Br-1:	C-4:C-4:C-3:	C(CCCO)(CBrC)(NCC)	C(CCN)(CNN)(Br)	N(CH3)2(CCC)	C(CCCO)(CBrC)(NCC)	C(CCN)(CNN)(Br)	N(CH3)2(CCC)	124.4800	0.000	1	124.4800	0.000	1	124.4800	0.000	1	124.4800	0.000	1	121.4275	14.143	106	121.4275	14.143	106