930	924	940	0:SP2_SP-NON_SP-NON	C	Br	P	2:1:1:	3:	3:3:	P-2:Br-1:F-1:	C-3:	C[6a]-3:C-3:	C(PC[6a])(Br)(F)	Br(CFP)	P(C[6a]C[6a]2)(CBrF)	C(PC[6a])(Br)(F)	Br(CFP)	P(C[6a]C[6a]2)(CBrF)	121.0320	0.000	1	121.0320	0.000	1	121.0320	0.000	1	121.0320	0.000	1	123.2515	9.852	2	123.2515	9.852	2
930	924	940	0:SP2_SP-NON_SP-NON	C	Br	P	4:2:1:	3:	3:3:	C-4:P-2:Br-1:	C-3:	C[6a]-3:C-3:	C(CC[3]HO)(PC[6a])(Br)	Br(CCP)	P(C[6a]C[6a]2)(CBrC)	C(CC[3]HO)(PC[6a])(Br)	Br(CCP)	P(C[6a]C[6a]2)(CBrC)	125.4710	0.000	1	125.4710	0.000	1	125.4710	0.000	1	125.4710	0.000	1	123.2515	9.852	2	123.2515	9.852	2
930	924	941	0:SP2_SP-NON_SP2	C	Br	N	2:2:1:	3:	3:2:	C-2:N-2:Br-1:	C-3:	C-3:O-2:	C(CC)(NO)(Br)	Br(CCN)	N(CBrC)(OH)	C(CC)(NO)(Br)	Br(CCN)	N(CBrC)(OH)	113.5540	0.000	1	113.5540	0.000	1	113.5540	0.000	1	113.5540	0.000	1	117.9990	39.516	2	117.9990	39.516	2
930	924	941	0:SP2_SP-NON_SP2	C	Br	N	3:2:1:	3:	3:3:	C-3:N-2:Br-1:	C-3:	C-3:N-3:	C(COO)(NN)(Br)	Br(CCN)	N(CBrC)(NCH)	C(COO)(NN)(Br)	Br(CCN)	N(CBrC)(NCH)	122.4440	0.000	1	122.4440	0.000	1	122.4440	0.000	1	122.4440	0.000	1	117.9990	39.516	2	117.9990	39.516	2
930	924	944	0:SP2_SP-NON_SP-NON	C	Br	I	3:1:1:	3:	3:	C-3:Br-1:I-1:	C-3:	C-3:	C(CC[6a]N[5a])(Br)(I)	Br(CCI)	I(CBrC)	C(CC[6a]N[5a])(Br)(I)	Br(CCI)	I(CBrC)	113.7240	0.000	1	113.7240	0.000	1	113.7240	0.000	1	113.7240	0.000	1	113.7240	0.000	1	113.7240	0.000	1
930	924	951	0:SP2_SP-NON_SP-NON	C	Br	H	2:1:1:	3:	3:	C-2:Br-1:H-1:	C-3:	C-3:	C(CC)(Br)(H)	Br(CCH)	H(CBrC)	C(CC)(Br)(H)	Br(CCH)	H(CBrC)	119.8830	0.000	1	119.8830	0.000	1	119.5245	0.517	4	119.5245	0.517	4	117.2696	8.850	35	117.2696	8.850	35
930	924	951	0:SP2_SP-NON_SP-NON	C	Br	H	2:1:1:	3:	3:	C-2:Br-1:H-1:	C-3:	C-3:	C(CC[6])(Br)(H)	Br(CCH)	H(CBrC)	C(CC[6])(Br)(H)	Br(CCH)	H(CBrC)	119.4050	0.830	3	119.4050	0.690	3	119.5245	0.517	4	119.5245	0.517	4	117.2696	8.850	35	117.2696	8.850	35
930	924	951	0:SP2_SP-NON_SP-NON	C	Br	H	3:1:1:	3:	3:	C-3:Br-1:H-1:	C-3:	C-3:	C(CB[5,5]C)(Br)(H)	Br(CCH)	H(CBrC)	C(CB[5,5]C)(Br)(H)	Br(CCH)	H(CBrC)	118.1380	0.000	1	118.1380	0.000	1	117.0628	6.800	16	117.3397	5.352	30	117.2696	8.850	35	117.2696	8.850	35
930	924	951	0:SP2_SP-NON_SP-NON	C	Br	H	3:1:1:	3:	3:	C-3:Br-1:H-1:	C-3:	C-3:	C(CBrC)(Br)(H)	Br(CCH)	H(CBrC)	C(CBrC)(Br)(H)	Br(CCH)	H(CBrC)	114.8587	4.654	3	114.8587	21.655	3	117.0628	6.800	16	117.3397	5.352	30	117.2696	8.850	35	117.2696	8.850	35
930	924	951	0:SP2_SP-NON_SP-NON	C	Br	H	3:1:1:	3:	3:	C-3:Br-1:H-1:	C-3:	C-3:	C(CCC)(Br)(H)	Br(CCH)	H(CBrC)	C(CCC)(Br)(H)	Br(CCH)	H(CBrC)	117.7377	0.307	3	117.7377	0.095	3	117.0628	6.800	16	117.3397	5.352	30	117.2696	8.850	35	117.2696	8.850	35
930	924	951	0:SP2_SP-NON_SP-NON	C	Br	H	3:1:1:	3:	3:	C-3:Br-1:H-1:	C-3:	C-3:	C(CCH)(Br)(H)	Br(CCH)	H(CBrC)	C(CCH)(Br)(H)	Br(CCH)	H(CBrC)	111.7430	0.000	1	111.7430	0.000	1	117.0628	6.800	16	117.3397	5.352	30	117.2696	8.850	35	117.2696	8.850	35
930	924	951	0:SP2_SP-NON_SP-NON	C	Br	H	3:1:1:	3:	3:	C-3:Br-1:H-1:	C-3:	C-3:	C(CCN)(Br)(H)	Br(CCH)	H(CBrC)	C(CCN)(Br)(H)	Br(CCH)	H(CBrC)	118.4490	0.000	1	118.4490	0.000	1	117.0628	6.800	16	117.3397	5.352	30	117.2696	8.850	35	117.2696	8.850	35
930	924	951	0:SP2_SP-NON_SP-NON	C	Br	H	3:1:1:	3:	3:	C-3:Br-1:H-1:	C-3:	C-3:	C(CCO)(Br)(H)	Br(CCH)	H(CBrC)	C(CCO)(Br)(H)	Br(CCH)	H(CBrC)	119.2040	0.000	1	119.2040	0.000	1	117.0628	6.800	16	117.3397	5.352	30	117.2696	8.850	35	117.2696	8.850	35
930	924	951	0:SP2_SP-NON_SP-NON	C	Br	H	3:1:1:	3:	3:	C-3:Br-1:H-1:	C-3:	C-3:	C(CCS)(Br)(H)	Br(CCH)	H(CBrC)	C(CCS)(Br)(H)	Br(CCH)	H(CBrC)	117.2000	0.000	1	117.2000	0.000	1	117.0628	6.800	16	117.3397	5.352	30	117.2696	8.850	35	117.2696	8.850	35
930	924	951	0:SP2_SP-NON_SP-NON	C	Br	H	3:1:1:	3:	3:	C-3:Br-1:H-1:	C-3:	C-3:	C(CC[6a]C)(Br)(H)	Br(CCH)	H(CBrC)	C(CC[6a]C)(Br)(H)	Br(CCH)	H(CBrC)	118.4960	0.129	2	118.4960	0.017	2	117.0628	6.800	16	117.3397	5.352	30	117.2696	8.850	35	117.2696	8.850	35
930	924	951	0:SP2_SP-NON_SP-NON	C	Br	H	3:1:1:	3:	3:	C-3:Br-1:H-1:	C-3:	C-3:	C(CC[6a]N)(Br)(H)	Br(CCH)	H(CBrC)	C(CC[6a]N)(Br)(H)	Br(CCH)	H(CBrC)	117.1590	0.000	1	117.1590	0.000	1	117.0628	6.800	16	117.3397	5.352	30	117.2696	8.850	35	117.2696	8.850	35
930	924	951	0:SP2_SP-NON_SP-NON	C	Br	H	3:1:1:	3:	3:	C-3:Br-1:H-1:	C-3:	C-3:	C(CC[6a]N[5])(Br)(H)	Br(CCH)	H(CBrC)	C(CC[6a]N[5])(Br)(H)	Br(CCH)	H(CBrC)	118.1655	0.090	2	118.1655	0.008	2	117.0628	6.800	16	117.3397	5.352	30	117.2696	8.850	35	117.2696	8.850	35
930	924	951	0:SP2_SP-NON_SP-NON	C	Br	H	3:1:1:	3:	3:	C[3]-3:Br-1:H-1:	C-3:	C-3:	C(C[3]C[3]2)(Br)(H)	Br(CC[3]H)	H(CC[3]Br)	C(C[3]C[3]2)(Br)(H)	Br(CC[3]H)	H(CC[3]Br)	113.4260	0.000	1	113.4260	0.000	1	113.4260	0.000	1	117.3397	5.352	30	117.2696	8.850	35	117.2696	8.850	35
930	924	951	0:SP2_SP-NON_SP-NON	C	Br	H	3:1:1:	3:	3:	C[5,6]-3:Br-1:H-1:	C-3:	C-3:	C(C[5,6]C[5,6]2)(Br)(H)	Br(CC[5,6]H)	H(CC[5,6]Br)	C(C[5,6]C[5,6]2)(Br)(H)	Br(CC[5,6]H)	H(CC[5,6]Br)	118.4840	0.004	2	118.4840	0.000	2	118.4840	0.000	2	117.3397	5.352	30	117.2696	8.850	35	117.2696	8.850	35
930	924	951	0:SP2_SP-NON_SP-NON	C	Br	H	3:1:1:	3:	3:	C[5]-3:Br-1:H-1:	C-3:	C-3:	C(C[5]C[5]N[5])(Br)(H)	Br(CC[5]H)	H(CC[5]Br)	C(C[5]C[5]N[5])(Br)(H)	Br(CC[5]H)	H(CC[5]Br)	120.9070	0.000	1	120.9070	0.000	1	120.7800	0.032	2	117.3397	5.352	30	117.2696	8.850	35	117.2696	8.850	35
930	924	951	0:SP2_SP-NON_SP-NON	C	Br	H	3:1:1:	3:	3:	C[5]-3:Br-1:H-1:	C-3:	C-3:	C(C[5]C[5]O[5])(Br)(H)	Br(CC[5]H)	H(CC[5]Br)	C(C[5]C[5]O[5])(Br)(H)	Br(CC[5]H)	H(CC[5]Br)	120.6530	0.000	1	120.6530	0.000	1	120.7800	0.032	2	117.3397	5.352	30	117.2696	8.850	35	117.2696	8.850	35
930	924	951	0:SP2_SP-NON_SP-NON	C	Br	H	3:1:1:	3:	3:	C[6]-3:Br-1:H-1:	C-3:	C-3:	C(C[6]C[5,5,6]C[6])(Br)(H)	Br(CC[6]H)	H(CC[6]Br)	C(C[6]C[5,5,6]C[6])(Br)(H)	Br(CC[6]H)	H(CC[6]Br)	116.3600	0.270	2	116.3600	0.073	2	117.2479	1.284	9	117.3397	5.352	30	117.2696	8.850	35	117.2696	8.850	35
930	924	951	0:SP2_SP-NON_SP-NON	C	Br	H	3:1:1:	3:	3:	C[6]-3:Br-1:H-1:	C-3:	C-3:	C(C[6]C[6,6a]C[6])(Br)(H)	Br(CC[6]H)	H(CC[6]Br)	C(C[6]C[6,6a]C[6])(Br)(H)	Br(CC[6]H)	H(CC[6]Br)	118.1554	0.399	5	118.1554	0.160	5	117.2479	1.284	9	117.3397	5.352	30	117.2696	8.850	35	117.2696	8.850	35
930	924	951	0:SP2_SP-NON_SP-NON	C	Br	H	3:1:1:	3:	3:	C[6]-3:Br-1:H-1:	C-3:	C-3:	C(C[6]C[6]2)(Br)(H)	Br(CC[6]H)	H(CC[6]Br)	C(C[6]C[6]2)(Br)(H)	Br(CC[6]H)	H(CC[6]Br)	115.8670	0.233	2	115.8670	0.054	2	117.2479	1.284	9	117.3397	5.352	30	117.2696	8.850	35	117.2696	8.850	35
930	924	951	0:SP2_SP-NON_SP-NON	C	Br	H	4:1:1:	3:	3:	C[6]-4:Br-1:H-1:	C-3:	C-3:	C(C[6]C[6]2Cr)(Br)(H)	Br(CC[6]H)	H(CC[6]Br)	C(C[6]C[6]2Cr)(Br)(H)	Br(CC[6]H)	H(CC[6]Br)	106.1490	0.000	1	106.1490	0.000	1	106.1490	0.000	1	106.1490	0.000	1	117.2696	8.850	35	117.2696	8.850	35
930	924	952	0:SP2_SP-NON_SP3	C	Br	S	4:3:1:	3:	3:1:1:1:	S-4:C-3:Br-1:	C-3:	C-3:F-1:O-1:O-1:	C(SFOO)(CCH)(Br)	Br(CCS)	S(CBrC)(F)(O)2	C(SFOO)(CCH)(Br)	Br(CCS)	S(CBrC)(F)(O)2	114.5170	0.000	1	114.5170	0.000	1	114.5170	0.000	1	114.5170	0.000	1	116.6023	3.713	3	116.6023	3.713	3
930	924	952	0:SP2_SP-NON_SP3	C	Br	S	4:4:1:	3:	4:3:1:1:	S-4:S-4:Br-1:	C-3:	C-4:C-3:O-1:O-1:	C(SCOO)2(Br)	Br(CSS)	S(CCFF)(CBrS)(O)2	C(SCOO)2(Br)	Br(CSS)	S(CCFF)(CBrS)(O)2	117.6450	0.950	2	117.6450	0.903	2	117.6450	0.903	2	117.6450	0.903	2	116.6023	3.713	3	116.6023	3.713	3
930	924	956	0:SP2_SP-NON_SP2	C	Br	N	3:3:1:	3:	4:4:3:	C-3:N-3:Br-1:	C-3:	S-4:C-4:C-3:	C(CC[6a]Br)(NCS)(Br)	Br(CCN)	N(SC[6a]OO)(CCHH)(CBrC)	C(CC[6a]Br)(NCS)(Br)	Br(CCN)	N(SC[6a]OO)(CCHH)(CBrC)	115.3190	0.000	1	115.3190	0.000	1	115.3190	0.000	1	115.3190	0.000	1	115.3190	0.000	1	115.3190	0.000	1
930	924	983	0:SP2_SP-NON_SP1	C	Br	C	2:1:1:	3:	3:3:	C-2:Br-1:H-1:	C-3:	C-3:C-3:	C(CC)(Br)(H)	Br(CCH)	C(CBrH)(CCH)	C(CC)(Br)(H)	Br(CCH)	C(CBrH)(CCH)	120.2310	0.000	1	120.2310	0.000	1	120.2310	0.000	1	120.9522	2.107	4	116.8658	18.325	14	116.8658	18.325	14
930	924	983	0:SP2_SP-NON_SP1	C	Br	C	2:1:1:	3:	3:3:	C-2:Br-1:H-1:	C-3:	C[6]-3:C-3:	C(CC[6])(Br)(H)	Br(CCH)	C(C[6]C[6,6a]C[5,6])(CBrH)	C(CC[6])(Br)(H)	Br(CCH)	C(C[6]C[6,6a]C[5,6])(CBrH)	121.3390	2.345	2	121.3390	5.498	2	121.1927	2.813	3	120.9522	2.107	4	116.8658	18.325	14	116.8658	18.325	14
930	924	983	0:SP2_SP-NON_SP1	C	Br	C	2:1:1:	3:	3:3:	C-2:Br-1:H-1:	C-3:	C[6]-3:C-3:	C(CC[6])(Br)(H)	Br(CCH)	C(C[6]C[6]2)(CBrH)	C(CC[6])(Br)(H)	Br(CCH)	C(C[6]C[6]2)(CBrH)	120.9000	0.000	1	120.9000	0.000	1	121.1927	2.813	3	120.9522	2.107	4	116.8658	18.325	14	116.8658	18.325	14
930	924	983	0:SP2_SP-NON_SP1	C	Br	C	2:2:1:	3:	2:3:	C-2:N-2:Br-1:	C-3:	C-2:C-3:	C(CC)(NO)(Br)	Br(CCN)	C(CC[6a])(CBrN)	C(CC)(NO)(Br)	Br(CCN)	C(CC[6a])(CBrN)	118.6860	0.000	1	118.6860	0.000	1	118.6860	0.000	1	118.6860	0.000	1	116.8658	18.325	14	116.8658	18.325	14
930	924	983	0:SP2_SP-NON_SP1	C	Br	C	2:3:1:	3:	3:3:	C-2:C-3:Br-1:	C-3:	N[6]-3:C-3:	C(CN[6])(CCC)(Br)	Br(CCC)	C(N[6]C[6]2)(CBrC)	C(CN[6])(CCC)(Br)	Br(CCC)	C(N[6]C[6]2)(CBrC)	105.9590	0.000	1	105.9590	0.000	1	105.9590	0.000	1	105.9590	0.000	1	116.8658	18.325	14	116.8658	18.325	14
930	924	983	0:SP2_SP-NON_SP1	C	Br	C	3:2:1:	3:	2:3:	C-3:C-2:Br-1:	C-3:	C-2:C-3:	C(CC[5]H)(CC)(Br)	Br(CCC)	C(CC[6])(CBrC)	C(CC[5]H)(CC)(Br)	Br(CCC)	C(CC[6])(CBrC)	113.5580	0.000	1	113.5580	0.000	1	113.5580	0.000	1	113.5580	0.000	1	116.8658	18.325	14	116.8658	18.325	14
930	924	983	0:SP2_SP-NON_SP1	C	Br	C	3:2:1:	3:	3:1:	C-3:C-2:Br-1:	C-3:	C-3:N-1:	C(CN[5]H)(CN)(Br)	Br(CCC)	C(CBrC)(N)	C(CN[5]H)(CN)(Br)	Br(CCC)	C(CBrC)(N)	115.1480	0.000	1	115.1480	0.000	1	115.1480	0.000	1	114.6190	0.560	2	116.8658	18.325	14	116.8658	18.325	14
930	924	983	0:SP2_SP-NON_SP1	C	Br	C	3:2:1:	3:	3:1:	C[5]-3:C-2:Br-1:	C-3:	C-3:N-1:	C(C[5]C[5]S[5])(CN)(Br)	Br(CC[5]C)	C(CC[5]Br)(N)	C(C[5]C[5]S[5])(CN)(Br)	Br(CC[5]C)	C(CC[5]Br)(N)	114.0900	0.000	1	114.0900	0.000	1	114.0900	0.000	1	114.6190	0.560	2	116.8658	18.325	14	116.8658	18.325	14
930	924	983	0:SP2_SP-NON_SP1	C	Br	C	3:2:1:	3:	3:2:	C[6]-3:C-2:Br-1:	C-3:	C-3:C-2:	C(C[6]C[6]2)(CC)(Br)	Br(CC[6]C)	C(CC[6]Br)(CN)	C(C[6]C[6]2)(CC)(Br)	Br(CC[6]C)	C(CC[6]Br)(CN)	118.8335	0.159	2	118.8335	0.025	2	118.8335	0.025	2	118.8335	0.025	2	116.8658	18.325	14	116.8658	18.325	14
930	924	983	0:SP2_SP-NON_SP1	C	Br	C	3:2:1:	3:	3:3:	C[6a]-3:C-2:Br-1:	C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CC)(Br)	Br(CC[6a]C)	C(CC[6a]Br)(CC[6a]2)	C(C[6a]C[6a]2)(CC)(Br)	Br(CC[6a]C)	C(CC[6a]Br)(CC[6a]2)	115.1540	0.000	1	115.1540	0.000	1	115.1540	0.000	1	115.1540	0.000	1	116.8658	18.325	14	116.8658	18.325	14
930	924	983	0:SP2_SP-NON_SP1	C	Br	C	4:2:1:	3:	3:1:	C[5]-4:C-2:Br-1:	C-3:	C-3:H-1:	C(C[5]C[5]2H)(CH)(Br)	Br(CC[5]C)	C(CC[5]Br)(H)	C(C[5]C[5]2H)(CH)(Br)	Br(CC[5]C)	C(CC[5]Br)(H)	118.1610	0.000	1	118.1610	0.000	1	118.1610	0.000	1	118.1610	0.000	1	116.8658	18.325	14	116.8658	18.325	14
930	924	983	0:SP2_SP-NON_SP1	C	Br	C	4:2:1:	3:	3:3:	Si-4:C-2:Br-1:	C-3:	C-3:C-3:	C(SiC3)(CC)(Br)	Br(CSiC)	C(CC[6a]2)(CBrSi)	C(SiC3)(CC)(Br)	Br(CSiC)	C(CC[6a]2)(CBrSi)	113.8890	0.000	1	113.8890	0.000	1	113.8890	0.000	1	113.8890	0.000	1	116.8658	18.325	14	116.8658	18.325	14
930	924	992	0:SP2_SP-NON_SP3	C	Br	P	4:3:1:	3:	3:3:3:1:	P-4:C-3:Br-1:	C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(PC[6a]2O)(CCH)(Br)	Br(CCP)	P(C[6a]C[6a]2)2(CBrC)(O)	C(PC[6a]2O)(CCH)(Br)	Br(CCP)	P(C[6a]C[6a]2)2(CBrC)(O)	113.5730	0.000	1	113.5730	0.000	1	113.5730	0.000	1	113.5730	0.000	1	113.5730	0.000	1	113.5730	0.000	1
930	927	927	0:SP2_SP2_SP2	C	B[6a]	B[6a]	3:3:3:	3:3:3:	3:3:3:	B[6a]-3:B[6a]-3:C-3:	N[6a]-3:N[6a]-3:C-3:	N[6a]-3:N[6a]-3:C-3:	C(B[6a]N[6a]2)2(CC[6a]H)	B[6a](N[6a]C[6a,6a]H)2(CB[6a]C)	B[6a](N[6a]C[6a,6a]H)2(CB[6a]C)	C(B[6a]N[6a]2)2(CC[6a]H)	B[6a](N[6a]C[6a,6a]H)2(CB[6a]C){3|C<3>}	B[6a](N[6a]C[6a,6a]H)2(CB[6a]C){3|C<3>}	117.9700	0.000	1	117.9700	0.000	1	117.9700	0.000	1	117.9700	0.000	1	117.9700	0.000	1	117.9700	0.000	1
930	927	930	0:SP2_SP2_SP2	C	B[6a]	C	3:3:1:	3:3:3:	3:3:1:	B[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(B[6a]C[6a]N[6a])(CC[6a]H)(H)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CCH)	C(C[6a]C[6a]2)(CB[6a]H)(H)	C(B[6a]C[6a]N[6a])(CC[6a]H)(H)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CCH){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CB[6a]H)(H)	123.4370	0.000	1	123.4370	0.000	1	123.4370	0.000	1	125.6340	9.654	2	124.3359	7.849	9	124.3359	7.849	9
930	927	930	0:SP2_SP2_SP2	C	B[6a]	C	3:3:1:	3:3:3:	3:3:1:	B[6a]-3:C-3:H-1:	N[6a]-3:N[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(B[6a]N[6a]2)(CC[6a]H)(H)	B[6a](N[6a]C[6a,6a]H)2(CCH)	C(C[6a]C[6a]2)(CB[6a]H)(H)	C(B[6a]N[6a]2)(CC[6a]H)(H)	B[6a](N[6a]C[6a,6a]H)2(CCH){3|C<3>}	C(C[6a]C[6a]2)(CB[6a]H)(H)	127.8310	0.000	1	127.8310	0.000	1	127.8310	0.000	1	125.6340	9.654	2	124.3359	7.849	9	124.3359	7.849	9
930	927	930	0:SP2_SP2_SP2	C	B[6a]	C	3:3:1:	3:3:3:	3:4:1:	B[6a]-3:C-3:H-1:	N[6a]-3:N[6a]-3:C-3:	C-3:Si-4:H-1:	C(B[6a]N[6a]2)(CSiH)(H)	B[6a](N[6a]B[6a]H)2(CCH)	C(CB[6a]H)(SiCl3)(H)	C(B[6a]N[6a]2)(CSiH)(H)	B[6a](N[6a]B[6a]H)2(CCH){1|N<3>,2|C<3>}	C(CB[6a]H)(SiCl3)(H)	126.7687	0.872	3	126.7687	0.760	3	126.7687	0.760	3	126.7687	0.760	3	124.3359	7.849	9	124.3359	7.849	9
930	927	930	0:SP2_SP2_SP2	C	B[6a]	C	3:3:3:	3:3:3:	3:3:1:	B[6a]-3:B[6a]-3:C-3:	N[6a]-3:N[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(B[6a]N[6a]2)2(CC[6a]H)	B[6a](N[6a]C[6a,6a]H)2(CB[6a]C)	C(C[6a]C[6a]2)(CB[6a]2)(H)	C(B[6a]N[6a]2)2(CC[6a]H)	B[6a](N[6a]C[6a,6a]H)2(CB[6a]C){3|C<3>}	C(C[6a]C[6a]2)(CB[6a]2)(H)	121.0145	1.331	2	121.0145	1.773	2	121.0145	1.773	2	121.8560	3.011	3	124.3359	7.849	9	124.3359	7.849	9
930	927	930	0:SP2_SP2_SP2	C	B[6a]	C	3:3:3:	3:3:3:	3:3:1:	B[6a]-3:C[6a]-3:C-3:	N[6a]-3:N[6a]-3:C-3:	C-3:C[6a]-3:H-1:	C(B[6a]N[6a]2)(C[6a]C[6a]2)(CC[6a]H)	B[6a](N[6a]C[6a,6a]H)2(CC[6a]C)	C(CB[6a]C[6a])(C[6a]C[6a]2)(H)	C(B[6a]N[6a]2)(C[6a]C[6a]2)(CC[6a]H)	B[6a](N[6a]C[6a,6a]H)2(CC[6a]C){3|C<3>}	C(CB[6a]C[6a])(C[6a]C[6a]2)(H)	123.5390	0.000	1	123.5390	0.000	1	123.5390	0.000	1	121.8560	3.011	3	124.3359	7.849	9	124.3359	7.849	9
930	927	930	0:SP2_SP2_SP2	C	B[6a]	C	3:3:3:	3:3:3:	3:4:1:	B[6a]-3:B[5]-3:C-3:	N[6a]-3:N[6a]-3:C-3:	C-3:C-4:H-1:	C(B[6a]N[6a]2)(B[5]O[5]2)(CCH)	B[6a](N[6a]C[6a,6a]H)2(CB[5]C)	C(CB[6a]B[5])(CCHH)(H)	C(B[6a]N[6a]2)(B[5]O[5]2)(CCH)	B[6a](N[6a]C[6a,6a]H)2(CB[5]C){3|C<3>}	C(CB[6a]B[5])(CCHH)(H)	121.8810	0.000	1	121.8810	0.000	1	121.8810	0.000	1	121.8810	0.000	1	124.3359	7.849	9	124.3359	7.849	9
930	927	951	0:SP2_SP-NON_SP2	C	B[6a]	H	3:3:1:	3:3:3:	3:	B[6a]-3:C-3:H-1:	C[6a]-3:N[6a]-3:C-3:	C-3:	C(B[6a]C[6a]N[6a])(CC[6a]H)(H)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CCH)	H(CB[6a]C)	C(B[6a]C[6a]N[6a])(CC[6a]H)(H)	B[6a](C[6a]C[6a]H)(N[6a]C[6a]C)(CCH){1|C<3>,2|H<1>}	H(CB[6a]C)	119.6080	0.000	1	119.6080	0.000	1	119.6080	0.000	1	117.1094	2.125	5	117.1094	2.125	5	117.1094	2.125	5
930	927	951	0:SP2_SP-NON_SP2	C	B[6a]	H	3:3:1:	3:3:3:	3:	B[6a]-3:C-3:H-1:	N[6a]-3:N[6a]-3:C-3:	C-3:	C(B[6a]N[6a]2)(CC[6a]H)(H)	B[6a](N[6a]C[6a,6a]H)2(CCH)	H(CB[6a]C)	C(B[6a]N[6a]2)(CC[6a]H)(H)	B[6a](N[6a]C[6a,6a]H)2(CCH){3|C<3>}	H(CB[6a]C)	116.0070	0.000	1	116.0070	0.000	1	116.4847	0.232	4	117.1094	2.125	5	117.1094	2.125	5	117.1094	2.125	5
930	927	951	0:SP2_SP-NON_SP2	C	B[6a]	H	3:3:1:	3:3:3:	3:	B[6a]-3:C-3:H-1:	N[6a]-3:N[6a]-3:C-3:	C-3:	C(B[6a]N[6a]2)(CSiH)(H)	B[6a](N[6a]B[6a]H)2(CCH)	H(CB[6a]C)	C(B[6a]N[6a]2)(CSiH)(H)	B[6a](N[6a]B[6a]H)2(CCH){1|N<3>,2|C<3>}	H(CB[6a]C)	116.6440	0.442	3	116.6440	0.196	3	116.4847	0.232	4	117.1094	2.125	5	117.1094	2.125	5	117.1094	2.125	5
930	927	983	0:SP2_SP1_SP2	C	B[6a]	C	3:3:2:	3:3:3:	3:3:	B[6a]-3:C[6a]-3:C-2:	N[6a]-3:N[6a]-3:C-3:	C-3:C-3:	C(B[6a]N[6a]2)(C[6a]C[6a]2)(CC)	B[6a](N[6a]C[6a,6a]H)2(CC[6a]C)	C(CB[6a]C[6a])(CCC)	C(B[6a]N[6a]2)(C[6a]C[6a]2)(CC)	B[6a](N[6a]C[6a,6a]H)2(CC[6a]C){3|C<3>}	C(CB[6a]C[6a])(CCC)	120.6130	0.000	1	120.6130	0.000	1	120.6130	0.000	1	120.6130	0.000	1	119.9400	0.906	2	119.9400	0.906	2
930	927	983	0:SP2_SP1_SP2	C	B[6a]	C	3:4:2:	3:3:3:	3:3:	B[6a]-3:C-4:C-2:	N[6a]-3:N[6a]-3:C-3:	C-3:C-3:	C(B[6a]N[6a]2)(CCHH)(CC)	B[6a](N[6a]C[6a,6a]H)2(CCC)	C(CB[6a]C)(CCC)	C(B[6a]N[6a]2)(CCHH)(CC)	B[6a](N[6a]C[6a,6a]H)2(CCC){3|C<3>}	C(CB[6a]C)(CCC)	119.2670	0.000	1	119.2670	0.000	1	119.2670	0.000	1	119.2670	0.000	1	119.9400	0.906	2	119.9400	0.906	2
930	930	930	0:SP2_SP2_SP2	C	C	C	2:3:3:	2:3:2:	2:3:1:	C-2:C-3:C-3:	C-2:C-3:N-2:	N-2:C-3:O-1:	C(CC[6])(CCN)(CNO)	C(CN[6])(CCC)(NN)	C(NC[6])(CCC)(O)	C(CC[6])(CCN)(CNO)	C(CN[6])(CCC)(NN)	C(NC[6])(CCC)(O)	111.0180	0.000	1	111.0180	0.000	1	111.0180	0.000	1	111.0180	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	2:3:3:	3:2:1:	3:1:1:	O-2:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(OP[6])(CHH)(COO)	C(CCO)(OC)(O)	C(CCO)(H)2	C(OP[6])(CHH)(COO)	C(CCO)(OC)(O)	C(CCO)(H)2	124.6150	0.000	1	124.6150	0.000	1	124.6150	0.000	1	124.6150	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	2:3:3:	3:2:1:	3:2:1:	C-2:C-3:C-3:	C-3:O-2:O-1:	C-3:O-2:O-1:	C(CC[5])(COO)2	C(CCC)(OC)(O)	C(CCC)(OC)(O)	C(CC[5])(COO)2	C(CCC)(OC)(O)	C(CCC)(OC)(O)	117.1220	0.000	1	117.1220	0.000	1	117.1220	0.000	1	122.6880	61.961	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	2:3:3:	3:2:1:	3:2:1:	I-2:C-3:C-3:	C-3:O-2:O-1:	C-3:O-2:O-1:	C(IC[6a])(COO)2	C(CCI)(OC)(O)	C(CCI)(OC)(O)	C(IC[6a])(COO)2	C(CCI)(OC)(O)	C(CCI)(OC)(O)	128.2540	0.000	1	128.2540	0.000	1	128.2540	0.000	1	122.6880	61.961	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	2:3:3:	3:3:1:	3:2:1:	O-2:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(OC[6a])(CCH)(COO)	C(CCO)(COO)(H)	C(CCO)(OC)(O)	C(OC[6a])(CCH)(COO)	C(CCO)(COO)(H)	C(CCO)(OC)(O)	125.7400	0.218	2	125.7400	0.047	2	125.7400	0.047	2	124.9117	2.082	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	2:3:3:	3:3:1:	3:2:1:	S-2:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(SC[6])(CCH)(COO)	C(CCS)(COO)(H)	C(CCS)(OC)(O)	C(SC[6])(CCH)(COO)	C(CCS)(COO)(H)	C(CCS)(OC)(O)	123.2550	0.000	1	123.2550	0.000	1	123.2550	0.000	1	124.9117	2.082	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	2:3:3:	3:3:1:	3:3:1:	N-2:C-3:C-3:	N-3:C-3:O-1:	C-3:C-3:H-1:	C(NC[6a])(CCH)(CNO)	C(NC[6a]H)(CCN)(O)	C(CCH)(CCN)(H)	C(NC[6a])(CCH)(CNO)	C(NC[6a]H)(CCN)(O)	C(CCH)(CCN)(H)	120.1890	0.000	1	120.1890	0.000	1	120.1890	0.000	1	122.4765	10.465	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	2:3:3:	3:3:1:	3:3:1:	S-2:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(SC[6a])(CCH)2	C(CC[6a]H)(CCS)(H)	C(CCS)(COO)(H)	C(SC[6a])(CCH)2	C(CC[6a]H)(CCS)(H)	C(CCS)(COO)(H)	124.7640	0.000	1	124.7640	0.000	1	124.7640	0.000	1	122.4765	10.465	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	2:3:3:	3:3:1:	4:4:3:	O-2:C-3:C-3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(OC[6a])(CCC)(CCH)	C(CC[6a]H)(CCO)(H)	C(CH3)2(CCO)	C(OC[6a])(CCC)(CCH)	C(CC[6a]H)(CCO)(H)	C(CH3)2(CCO)	127.2930	0.000	1	127.2930	0.000	1	127.2930	0.000	1	127.2930	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	2:3:3:	3:3:1:	7:3:1:	N-2:C-3:C-3:	N-3:C-3:O-1:	C-7:C-3:O-1:	C(NC[6a])(CCO)(CNO)	C(NC[6a]H)(CCN)(O)	C(CH6)(CCN)(O)	C(NC[6a])(CCO)(CNO)	C(NC[6a]H)(CCN)(O)	C(CH6)(CCN)(O)	115.2200	0.000	1	115.2200	0.000	1	115.2200	0.000	1	115.2200	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	2:3:3:	3:3:2:	3:2:1:	S-2:C-3:C-3:	C-3:C-3:C-2:	C-3:O-2:O-1:	C(SC[6a])(CCC)(COO)	C(CCS)(COO)(CN)	C(CCS)(OC)(O)	C(SC[6a])(CCC)(COO)	C(CCS)(COO)(CN)	C(CCS)(OC)(O)	121.1850	0.000	1	121.1850	0.000	1	121.1850	0.000	1	121.1850	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	2:3:3:	3:3:3:	3:1:1:	S-2:C-3:C-3:	C-3:C-3:N-3:	C-3:Cl-1:Cl-1:	C(SC[6a])(CCl2)(CCN)	C(CCS)(CSS)(NOO)	C(CCS)(Cl)2	C(SC[6a])(CCl2)(CCN)	C(CCS)(CSS)(NOO)	C(CCS)(Cl)2	120.0450	0.000	1	120.0450	0.000	1	120.0450	0.000	1	120.0450	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	2:3:3:	3:3:3:	3:2:1:	S-2:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(SC[3x3,4,3x5,14x6])(CCC)(COO)	C(CCC)(CCS)(COO)	C(CCS)(OC)(O)	C(SC[3x3,4,3x5,14x6])(CCC)(COO)	C(CCC)(CCS)(COO)	C(CCS)(OC)(O)	118.5280	0.000	1	118.5280	0.000	1	120.2860	6.181	2	120.9175	2.728	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	2:3:3:	3:3:3:	3:2:1:	S-2:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(SC[6a])(CCC)(COO)	C(CC[6a]O)(CCS)(COO)	C(CCS)(OC)(O)	C(SC[6a])(CCC)(COO)	C(CC[6a]O)(CCS)(COO)	C(CCS)(OC)(O)	122.0440	0.000	1	122.0440	0.000	1	120.2860	6.181	2	120.9175	2.728	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	2:3:3:	3:3:3:	3:2:1:	S-2:C-3:C-3:	C-3:C-3:N-3:	C-3:O-2:O-1:	C(SC[6a])(CCN)(COO)	C(CCS)(COO)(NCS)	C(CCS)(OC)(O)	C(SC[6a])(CCN)(COO)	C(CCS)(COO)(NCS)	C(CCS)(OC)(O)	121.5490	0.639	2	121.5490	0.409	2	121.5490	0.409	2	120.9175	2.728	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	2:3:3:	3:3:3:	4:3:1:	S-2:C-3:C-3:	C-3:C-3:C-3:	C-4:C-3:H-1:	C(SC[6a])(CCC)(CCH)	C(CCN)(CCS)(COO)	C(CHHN)(CCS)(H)	C(SC[6a])(CCC)(CCH)	C(CCN)(CCS)(COO)	C(CHHN)(CCS)(H)	123.3370	0.000	1	123.3370	0.000	1	123.3370	0.000	1	123.3370	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	2:3:3:	4:3:1:	3:2:1:	S-2:C-3:C-3:	C-4:C-3:H-1:	C-3:N-2:H-1:	C(SC[6a])(CCH)(CHN)	C(CH3)(CCS)(H)	C(CCS)(NS)(H)	C(SC[6a])(CCH)(CHN)	C(CH3)(CCS)(H)	C(CCS)(NS)(H)	118.9030	0.000	1	118.9030	0.000	1	118.9030	0.000	1	118.9030	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	2:3:3:	4:3:1:	3:3:1:	S-2:C-3:C-3:	C-4:C-3:H-1:	C-3:N-3:O-1:	C(SC[6a])(CCH)(CNO)	C(CCHH)(CCS)(H)	C(CCS)(NCS)(O)	C(SC[6a])(CCH)(CNO)	C(CCHH)(CCS)(H)	C(CCS)(NCS)(O)	120.5690	0.000	1	120.5690	0.000	1	120.5690	0.000	1	120.5690	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	2:3:3:	4:3:2:	3:2:1:	O-2:C-3:C-3:	C-4:C-3:O-2:	C-3:O-2:O-1:	C(OC[5])(CCO)(COO)	C(CC[5]HH)(CCO)(OH)	C(CCO)(OC)(O)	C(OC[5])(CCO)(COO)	C(CC[5]HH)(CCO)(OH)	C(CCO)(OC)(O)	120.7950	0.000	1	120.7950	0.000	1	120.7950	0.000	1	120.7950	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	2:3:3:	4:3:2:	4:3:1:	S-2:C-3:C-3:	C-4:C-3:O-2:	C-4:C-3:O-1:	C(SC[5])(CCO)2	C(CH3)(CCS)(OH)	C(CH3)(CCS)(O)	C(SC[5])(CCO)2	C(CH3)(CCS)(OH)	C(CH3)(CCS)(O)	119.4420	0.202	3	119.4420	0.041	3	119.6633	0.394	6	119.6633	0.394	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	2:3:3:	4:3:2:	4:3:1:	S-2:C-3:C-3:	C-4:C-3:O-2:	C-4:C-3:O-1:	C(SC[5a])(CCO)2	C(CH3)(CCS)(OH)	C(CH3)(CCS)(O)	C(SC[5a])(CCO)2	C(CH3)(CCS)(OH)	C(CH3)(CCS)(O)	120.2940	0.767	2	120.2940	0.588	2	119.6633	0.394	6	119.6633	0.394	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	2:3:3:	4:3:2:	4:3:1:	S-2:C-3:C-3:	C-4:C-3:O-2:	C-4:C-3:O-1:	C(SC[6a])(CCO)2	C(CH3)(CCS)(OH)	C(CH3)(CCS)(O)	C(SC[6a])(CCO)2	C(CH3)(CCS)(OH)	C(CH3)(CCS)(O)	119.0660	0.000	1	119.0660	0.000	1	119.6633	0.394	6	119.6633	0.394	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	2:3:3:	4:3:2:	4:3:2:	S-2:C-3:C-3:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(SC[5])(CCO)2	C(CH3)(CCS)(ONi)	C(CH3)(CCS)(ONi)	C(SC[5])(CCO)2	C(CH3)(CCS)(ONi)	C(CH3)(CCS)(ONi)	124.3060	0.000	1	124.3060	0.000	1	124.0187	0.283	6	124.0187	0.283	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	2:3:3:	4:3:2:	4:3:2:	S-2:C-3:C-3:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(SC[5])(CCO)2	C(CH3)(CCS)(OZn)	C(CH3)(CCS)(OZn)	C(SC[5])(CCO)2	C(CH3)(CCS)(OZn)	C(CH3)(CCS)(OZn)	124.7950	0.000	1	124.7950	0.000	1	124.0187	0.283	6	124.0187	0.283	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	2:3:3:	4:3:2:	4:3:2:	S-2:C-3:C-3:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(SC[5a])(CCO)2	C(CH3)(CCS)(OMn)	C(CH3)(CCS)(OMn)	C(SC[5a])(CCO)2	C(CH3)(CCS)(OMn)	C(CH3)(CCS)(OMn)	123.7528	0.386	4	123.7528	0.149	4	124.0187	0.283	6	124.0187	0.283	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	2:3:3:	4:3:3:	3:2:1:	N-2:C-3:C-3:	P-4:C-3:C-3:	C-3:O-2:O-1:	C(NC[6a])(CCP)(COO)	C(PC[6a]3)(CCN)(COO)	C(CCN)(OC)(O)	C(NC[6a])(CCP)(COO)	C(PC[6a]3)(CCN)(COO)	C(CCN)(OC)(O)	117.5860	0.689	2	117.5860	0.474	2	117.5860	0.474	2	117.5860	0.474	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	2:3:3:	4:3:3:	3:3:1:	O-2:C-3:C-3:	C-4:C-3:C-3:	C-3:C-3:O-1:	C(OC[6a])(CCC)(CCO)	C(CH3)(CCH)(CCO)	C(CCC)(CCO)(O)	C(OC[6a])(CCC)(CCO)	C(CH3)(CCH)(CCO)	C(CCC)(CCO)(O)	134.0270	0.000	1	134.0270	0.000	1	134.0270	0.000	1	134.0270	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:2:3:	3:2:3:	3:2:1:	C-3:S-2:C-3:	C[6a]-3:S-2:C-3:	C-3:O-2:O-1:	C(CC[6a]S)(SC[6a])(COO)	C(C[6a]C[6a]2)(SC[6a])(CCS)	C(CCS)(OC)(O)	C(CC[6a]S)(SC[6a])(COO)	C(C[6a]C[6a]2)(SC[6a])(CCS)	C(CCS)(OC)(O)	123.9610	0.000	1	123.9610	0.000	1	123.9610	0.000	1	124.1944	0.255	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:2:3:	3:2:3:	3:2:1:	C-3:Se-2:C-3:	C-3:Se-2:C-3:	C-3:O-2:O-1:	C(CSeC)(SeIr)(COO)	C(CSeC)(SeIr)(COO)	C(CSeC)(OC)(O)	C(CSeC)(SeIr)(COO)	C(CSeC)(SeIr)(COO)	C(CSeC)(OC)(O)	124.6040	0.574	2	124.6040	0.330	2	124.2527	0.317	4	124.1944	0.255	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:2:3:	3:2:3:	3:2:1:	C-3:Se-2:C-3:	C-3:Se-2:C-3:	C-3:O-2:O-1:	C(CSeC)(SePd)(COO)	C(CSeC)(SePd)(COO)	C(CSeC)(OC)(O)	C(CSeC)(SePd)(COO)	C(CSeC)(SePd)(COO)	C(CSeC)(OC)(O)	123.9015	0.359	2	123.9015	0.129	2	124.2527	0.317	4	124.1944	0.255	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:2:3:	3:3:1:	2:3:1:	C-3:S-2:C-3:	C[6a]-3:C-3:O-1:	S-2:C-3:H-1:	C(CC[6a]O)(SC[6a])(CHS)	C(C[6a]C[6a]2)(CCS)(O)	C(SC[6a])(CCS)(H)	C(CC[6a]O)(SC[6a])(CHS)	C(C[6a]C[6a]2)(CCS)(O)	C(SC[6a])(CCS)(H)	119.5990	0.000	1	119.5990	0.000	1	119.5990	0.000	1	119.5990	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:2:3:	3:3:1:	3:2:1:	C-3:I-2:C-3:	C[6a]-3:C-3:O-1:	C-3:O-2:O-1:	C(CC[6a]O)(IC[6a])(COO)	C(C[6a]C[6a]2)(CCI)(O)	C(CCI)(OC)(O)	C(CC[6a]O)(IC[6a])(COO)	C(C[6a]C[6a]2)(CCI)(O)	C(CCI)(OC)(O)	129.0400	0.000	1	129.0400	0.000	1	129.0400	0.000	1	126.4245	13.682	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:2:3:	3:3:1:	3:2:1:	C-3:O-2:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(OC[6a])(COO)	C(C[6a]C[6a]2)(CCO)(H)	C(CCO)(OH)(O)	C(CC[6a]H)(OC[6a])(COO)	C(C[6a]C[6a]2)(CCO)(H)	C(CCO)(OH)(O)	123.8090	0.000	1	123.8090	0.000	1	123.8090	0.000	1	126.4245	13.682	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:2:3:	3:3:1:	3:3:1:	C-3:S-2:C-3:	C[6a]-3:C-3:O-1:	C-3:C-3:H-1:	C(CC[6a]O)(SC[5a])(CCH)	C(C[6a]C[6a]2)(CCS)(O)	C(CC[6a]O)(CCS)(H)	C(CC[6a]O)(SC[5a])(CCH)	C(C[6a]C[6a]2)(CCS)(O)	C(CC[6a]O)(CCS)(H)	120.4880	0.000	1	120.4880	0.000	1	120.4880	0.000	1	117.2705	20.705	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:2:3:	3:3:1:	3:3:1:	C-3:S-2:C-3:	C[6a]-3:C-3:O-1:	C-3:N-3:H-1:	C(CC[6a]O)(SC[6a])(CHN)	C(C[6a]C[6a]2)(CCS)(O)	C(CCS)(NCC)(H)	C(CC[6a]O)(SC[6a])(CHN)	C(C[6a]C[6a]2)(CCS)(O)	C(CCS)(NCC)(H)	114.0530	0.000	1	114.0530	0.000	1	114.0530	0.000	1	117.2705	20.705	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:2:3:	3:3:1:	3:3:2:	C-3:N-2:C-3:	C[6a]-3:C-3:O-1:	C-3:C-3:O-2:	C(CC[6a]O)(NC[6a])(CCO)	C(C[6a]C[6a]2)(CCN)(O)	C(CC[6a]H)(CCN)(OC)	C(CC[6a]O)(NC[6a])(CCO)	C(C[6a]C[6a]2)(CCN)(O)	C(CC[6a]H)(CCN)(OC)	116.7510	0.000	1	116.7510	0.000	1	116.7510	0.000	1	116.7510	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:2:3:	3:3:1:	3:4:3:	C-3:Se-2:C-3:	C[6a]-3:C-3:O-1:	C-3:C-4:C-3:	C(CC[6a]O)(SeC[6a])(CCC)	C(C[6a]C[6a]2)(CSeC)(O)	C(CSeC)(CH3)(COO)	C(CC[6a]O)(SeC[6a])(CCC)	C(C[6a]C[6a]2)(CSeC)(O)	C(CSeC)(CH3)(COO)	124.7010	0.000	1	124.7010	0.000	1	124.7010	0.000	1	124.7010	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:2:3:	3:3:1:	4:3:1:	C-3:S-2:C-3:	N[5]-3:C-3:O-1:	C-4:C-3:H-1:	C(CN[5]O)(SC[6a])(CCH)	C(N[5]C[5]2)(CCS)(O)	C(CCHH)(CCS)(H)	C(CN[5]O)(SC[6a])(CCH)	C(N[5]C[5]2)(CCS)(O)	C(CCHH)(CCS)(H)	119.9730	0.000	1	119.9730	0.000	1	119.9730	0.000	1	119.9730	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:2:3:	3:3:1:	4:3:3:	C-3:S-2:C-3:	C[6a]-3:C-3:H-1:	C-4:C-3:C-3:	C(CC[6a]H)(SC[6a])(CCC)	C(C[6a]C[6a]2)(CCS)(H)	C(CF3)(CCS)(CHH)	C(CC[6a]H)(SC[6a])(CCC)	C(C[6a]C[6a]2)(CCS)(H)	C(CF3)(CCS)(CHH)	125.9970	0.000	1	125.9970	0.000	1	125.9970	0.000	1	125.9970	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:2:3:	3:3:2:	3:2:1:	C-3:S-2:C-3:	C[6a]-3:C-3:O-2:	C-3:O-2:O-1:	C(CC[6a]O)(SC[6a])(COO)	C(C[6a]C[6a]2)(CCS)(OC)	C(CCS)(OC)(O)	C(CC[6a]O)(SC[6a])(COO)	C(C[6a]C[6a]2)(CCS)(OC)	C(CCS)(OC)(O)	121.2660	0.942	2	121.2660	0.887	2	121.2660	0.887	2	121.2660	0.887	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:2:3:	3:3:3:	3:2:1:	C-3:S-2:C-3:	C[6a]-3:C-3:N-3:	C-3:O-2:O-1:	C(CC[6a]N)(SC[6a])(COO)	C(C[6a]C[6a]2)(CCS)(NCH)	C(CCS)(OC)(O)	C(CC[6a]N)(SC[6a])(COO)	C(C[6a]C[6a]2)(CCS)(NCH)	C(CCS)(OC)(O)	122.2325	2.164	2	122.2325	4.685	2	122.2325	4.685	2	122.2325	4.685	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:3:1:	3:1:1:	C-3:C-3:H-1:	O-2:C-3:O-1:	C-3:H-1:H-1:	C(CHH)(COO)(H)	C(OC[6,6])(CCH)(O)	C(CCH)(H)2	C(CHH)(COO)(H)	C(OC[6,6])(CCH)(O)	C(CCH)(H)2	120.9807	1.184	3	120.9807	1.402	3	122.7322	2.410	11	120.3210	71.958	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:3:1:	3:1:1:	C-3:C-3:H-1:	O-2:C-3:O-1:	C-3:H-1:H-1:	C(CHH)(COO)(H)	C(OC[6])(CCH)(O)	C(CCH)(H)2	C(CHH)(COO)(H)	C(OC[6])(CCH)(O)	C(CCH)(H)2	124.6750	0.703	2	124.6750	0.494	2	122.7322	2.410	11	120.3210	71.958	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:3:1:	3:1:1:	C-3:C-3:H-1:	O-2:C-3:O-1:	C-3:H-1:H-1:	C(CHH)(COO)(H)	C(OC[6a])(CCH)(O)	C(CCH)(H)2	C(CHH)(COO)(H)	C(OC[6a])(CCH)(O)	C(CCH)(H)2	122.9603	0.864	6	122.9603	0.747	6	122.7322	2.410	11	120.3210	71.958	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:3:1:	3:1:1:	C-3:C-3:H-1:	S-2:C-3:H-1:	C-3:H-1:H-1:	C(CHH)(CHS)(H)	C(SC[5])(CCH)(H)	C(CCH)(H)2	C(CHH)(CHS)(H)	C(SC[5])(CCH)(H)	C(CCH)(H)2	93.7977	0.000	1	93.7977	0.000	1	93.7977	0.000	1	120.3210	71.958	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:3:1:	3:2:1:	C-3:C-3:Br-1:	N-2:C-3:H-1:	C-3:O-2:O-1:	C(CHN)(COO)(Br)	C(NC[6a])(CBrC)(H)	C(CBrC)(OC)(O)	C(CHN)(COO)(Br)	C(NC[6a])(CBrC)(H)	C(CBrC)(OC)(O)	120.8960	0.000	1	120.8960	0.000	1	120.8960	0.000	1	121.9705	2.715	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:3:1:	3:2:1:	C-3:C-3:H-1:	O-2:C-3:H-1:	C-3:O-2:O-1:	C(CHO)(COO)(H)	C(OC[5a])(CCH)(H)	C(CCH)(OC)(O)	C(CHO)(COO)(H)	C(OC[5a])(CCH)(H)	C(CCH)(OC)(O)	125.1790	0.000	1	125.1790	0.000	1	121.6828	6.743	5	121.9705	2.715	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:3:1:	3:2:1:	C-3:C-3:H-1:	O-2:C-3:H-1:	C-3:O-2:O-1:	C(CHO)(COO)(H)	C(OC[6])(CCH)(H)	C(CCH)(OC)(O)	C(CHO)(COO)(H)	C(OC[6])(CCH)(H)	C(CCH)(OC)(O)	118.1960	0.000	1	118.1960	0.000	1	121.6828	6.743	5	121.9705	2.715	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:3:1:	3:2:1:	C-3:C-3:H-1:	O-2:C-3:H-1:	C-3:O-2:O-1:	C(CHO)(COO)(H)	C(OC[6a])(CCH)(H)	C(CCH)(OC)(O)	C(CHO)(COO)(H)	C(OC[6a])(CCH)(H)	C(CCH)(OC)(O)	121.6797	1.138	3	121.6797	1.295	3	121.6828	6.743	5	121.9705	2.715	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:3:1:	3:2:1:	C-3:C-3:H-1:	S-2:C-3:H-1:	C-3:O-2:O-1:	C(CHS)(COO)(H)	C(SC[3x3,4,3x5,14x6])(CCH)(H)	C(CCH)(OC)(O)	C(CHS)(COO)(H)	C(SC[3x3,4,3x5,14x6])(CCH)(H)	C(CCH)(OC)(O)	122.2614	1.203	7	122.2614	1.447	7	122.2497	1.096	9	121.9705	2.715	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:3:1:	3:2:1:	C-3:C-3:H-1:	S-2:C-3:H-1:	C-3:O-2:O-1:	C(CHS)(COO)(H)	C(SC[5])(CCH)(H)	C(CCH)(OC)(O)	C(CHS)(COO)(H)	C(SC[5])(CCH)(H)	C(CCH)(OC)(O)	122.0100	0.000	1	122.0100	0.000	1	122.2497	1.096	9	121.9705	2.715	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:3:1:	3:2:1:	C-3:C-3:H-1:	S-2:C-3:H-1:	C-3:O-2:O-1:	C(CHS)(COO)(H)	C(SC[5a])(CCH)(H)	C(CCH)(OC)(O)	C(CHS)(COO)(H)	C(SC[5a])(CCH)(H)	C(CCH)(OC)(O)	122.4070	0.000	1	122.4070	0.000	1	122.2497	1.096	9	121.9705	2.715	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:3:1:	3:3:1:	C-3:C-3:Cl-1:	O-2:C-3:H-1:	C-3:C-3:O-1:	C(CCO)(CHO)(Cl)	C(OC[3x6])(CClC)(H)	C(CClC)(CCH)(O)	C(CCO)(CHO)(Cl)	C(OC[3x6])(CClC)(H)	C(CClC)(CCH)(O)	124.0505	1.488	2	124.0505	2.216	2	124.0505	2.216	2	124.1271	4.334	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:3:1:	3:3:1:	C-3:C-3:H-1:	N-2:C-3:O-1:	C-3:C-3:H-1:	C(CCH)(CNO)(H)	C(NC[6a])(CCH)(O)	C(CCH)(COO)(H)	C(CCH)(CNO)(H)	C(NC[6a])(CCH)(O)	C(CCH)(COO)(H)	128.3840	0.000	1	128.3840	0.000	1	128.3840	0.000	1	124.1271	4.334	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:3:1:	3:3:1:	C-3:C-3:H-1:	O-2:C-3:O-1:	C-3:C-3:H-1:	C(CCH)(COO)(H)	C(OC[5])(CCH)(O)	C(CCH)2(H)	C(CCH)(COO)(H)	C(OC[5])(CCH)(O)	C(CCH)2(H)	124.1060	0.000	1	124.1060	0.000	1	123.5620	0.592	2	124.1271	4.334	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:3:1:	3:3:1:	C-3:C-3:H-1:	O-2:C-3:O-1:	C-3:C-3:H-1:	C(CCH)(COO)(H)	C(OC[6])(CCH)(O)	C(CCH)2(H)	C(CCH)(COO)(H)	C(OC[6])(CCH)(O)	C(CCH)2(H)	123.0180	0.000	1	123.0180	0.000	1	123.5620	0.592	2	124.1271	4.334	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:3:1:	3:3:1:	C-3:C-3:H-1:	S-2:C-3:H-1:	C-3:C-3:H-1:	C(CCH)(CHS)(H)	C(SC[6a])(CCH)(H)	C(CCH)2(H)	C(CCH)(CHS)(H)	C(SC[6a])(CCH)(H)	C(CCH)2(H)	122.6405	0.083	2	122.6405	0.007	2	122.6405	0.007	2	124.1271	4.334	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:3:1:	4:3:1:	C-3:C-3:H-1:	O-2:C-3:O-1:	C-4:C-3:H-1:	C(CCH)(COO)(H)	C(OC[5,6])(CCH)(O)	C(CCCH)(CCH)(H)	C(CCH)(COO)(H)	C(OC[5,6])(CCH)(O)	C(CCCH)(CCH)(H)	120.8120	0.000	1	120.8120	0.000	1	120.7754	1.099	5	121.9704	3.033	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:3:1:	4:3:1:	C-3:C-3:H-1:	O-2:C-3:O-1:	C-4:C-3:H-1:	C(CCH)(COO)(H)	C(OC[5,6])(CCH)(O)	C(CCHO)(CCH)(H)	C(CCH)(COO)(H)	C(OC[5,6])(CCH)(O)	C(CCHO)(CCH)(H)	120.7662	1.210	4	120.7662	1.465	4	120.7754	1.099	5	121.9704	3.033	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:3:1:	4:3:1:	C-3:C-3:H-1:	S-2:C-3:H-1:	C[5]-4:C-3:O-1:	C(CC[5]O)(CHS)(H)	C(SC[3x3,4,3x5,14x6])(CCH)(H)	C(C[5]C[5]2Fe)(CCH)(O)	C(CC[5]O)(CHS)(H)	C(SC[3x3,4,3x5,14x6])(CCH)(H)	C(C[5]C[5]2Fe)(CCH)(O)	123.2918	1.555	5	123.2918	2.417	5	122.9662	2.570	6	121.9704	3.033	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:3:1:	4:3:1:	C-3:C-3:H-1:	S-2:C-3:H-1:	C[5]-4:C-3:O-1:	C(CC[5]O)(CHS)(H)	C(SC[5x3,5x5,20x6])(CCH)(H)	C(C[5]C[5]2Fe)(CCH)(O)	C(CC[5]O)(CHS)(H)	C(SC[5x3,5x5,20x6])(CCH)(H)	C(C[5]C[5]2Fe)(CCH)(O)	121.3380	0.000	1	121.3380	0.000	1	122.9662	2.570	6	121.9704	3.033	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:3:1:	4:3:3:	C-3:C-3:H-1:	O-2:C-3:O-1:	C-4:C-3:C-3:	C(CCC)(COO)(H)	C(OC[6a])(CCH)(O)	C(CH3)(CCH)2	C(CCC)(COO)(H)	C(OC[6a])(CCH)(O)	C(CH3)(CCH)2	126.6910	0.000	1	126.6910	0.000	1	126.6910	0.000	1	126.6910	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:3:1:	4:4:3:	C-3:C-3:H-1:	O-2:C-3:O-1:	C-4:C-4:C-3:	C(CCC)(COO)(H)	C(OC[6])(CCH)(O)	C(CH3)2(CCH)	C(CCC)(COO)(H)	C(OC[6])(CCH)(O)	C(CH3)2(CCH)	125.0750	3.108	2	125.0750	9.662	2	125.0750	9.662	2	125.0750	9.662	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:3:3:	3:2:1:	C-3:C-3:H-1:	O-2:C-3:C-3:	C-3:O-2:O-1:	C(CCO)(COO)(H)	C(OC[6a])(CCH)(COO)	C(CCH)(OC)(O)	C(CCO)(COO)(H)	C(OC[6a])(CCH)(COO)	C(CCH)(OC)(O)	121.3155	0.428	2	121.3155	0.183	2	121.3155	0.183	2	122.7782	3.904	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:3:3:	3:2:1:	C-3:C-3:H-1:	S-2:C-3:C-3:	C-3:O-2:O-1:	C(CCS)(COO)(H)	C(SC[6])(CCH)(COO)	C(CCH)(OC)(O)	C(CCS)(COO)(H)	C(SC[6])(CCH)(COO)	C(CCH)(OC)(O)	123.0220	0.000	1	123.0220	0.000	1	124.2410	2.972	2	122.7782	3.904	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:3:3:	3:2:1:	C-3:C-3:H-1:	S-2:C-3:C-3:	C-3:O-2:O-1:	C(CCS)(COO)(H)	C(SC[6a])(CCH)2	C(CCH)(OC)(O)	C(CCS)(COO)(H)	C(SC[6a])(CCH)2	C(CCH)(OC)(O)	125.4600	0.000	1	125.4600	0.000	1	124.2410	2.972	2	122.7782	3.904	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:3:3:	3:3:1:	C-3:C-3:H-1:	N-2:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(NC[6a])(CCH)(CNO)	C(CCH)2(H)	C(CCH)(CCN)(H)	C(NC[6a])(CCH)(CNO)	C(CCH)2(H)	129.1230	0.000	1	129.1230	0.000	1	129.1230	0.000	1	129.1230	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:3:3:	4:3:3:	C-3:C-3:O-1:	O-2:C-3:C-3:	C-4:C-3:C-3:	C(CCC)(CCO)(O)	C(OC[6a])(CCC)(CCO)	C(CH3)(CCH)(CCO)	C(CCC)(CCO)(O)	C(OC[6a])(CCC)(CCO)	C(CH3)(CCH)(CCO)	122.9070	0.000	1	122.9070	0.000	1	122.9070	0.000	1	122.9070	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:4:3:	2:4:3:	C-3:C-3:H-1:	N-2:C-4:C-3:	N-2:C-4:C-3:	C(CCN)2(H)	C(NC[6a])(CH3)(CCH)	C(NC[6a])(CH3)(CCH)	C(CCN)2(H)	C(NC[6a])(CH3)(CCH)	C(NC[6a])(CH3)(CCH)	130.0795	2.008	6	130.0795	4.032	6	130.0795	4.032	6	128.4283	22.446	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:4:3:	2:4:3:	C-3:C-3:O-1:	N-2:C-4:C-3:	N-2:C-4:C-3:	C(CCN)2(O)	C(NC[6a])(CH3)(CCO)	C(NC[6a])(CH3)(CCO)	C(CCN)2(O)	C(NC[6a])(CH3)(CCO)	C(NC[6a])(CH3)(CCO)	118.5210	0.000	1	118.5210	0.000	1	118.5210	0.000	1	128.4283	22.446	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:4:3:	3:3:1:	C-3:C-3:H-1:	O-2:C-4:C-3:	C-3:C-3:F-1:	C(CCF)(CCO)(H)	C(OC[6a])(CCFF)(CCH)	C(CCF)(CCH)(F)	C(CCF)(CCO)(H)	C(OC[6a])(CCFF)(CCH)	C(CCF)(CCH)(F)	127.1640	1.675	4	127.1640	2.807	4	127.1640	2.807	4	126.7328	2.277	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:4:3:	3:3:1:	C-3:C-3:H-1:	O-2:C-4:C-3:	N-3:C-3:O-1:	C(CCO)(CNO)(H)	C(OC[6a])(CCHH)(CCH)	C(NC[6a]C)(CCH)(O)	C(CCO)(CNO)(H)	C(OC[6a])(CCHH)(CCH)	C(NC[6a]C)(CCH)(O)	125.2660	0.000	1	125.2660	0.000	1	125.2660	0.000	1	126.7328	2.277	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:4:3:	3:3:1:	C-3:C-3:H-1:	S-2:C-4:C-3:	C-3:C-3:H-1:	C(CCH)(CCS)(H)	C(SC[6a])(CCHH)(CCH)	C(CCH)(CCS)(H)	C(CCH)(CCS)(H)	C(SC[6a])(CCHH)(CCH)	C(CCH)(CCS)(H)	126.4750	0.000	1	126.4750	0.000	1	126.4750	0.000	1	126.7328	2.277	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:4:3:	4:3:1:	C-3:C-3:H-1:	N-2:C-4:C-3:	C-4:C-3:O-1:	C(CCN)(CCO)(H)	C(NC[6a])(CH3)(CCH)	C(CH3)(CCH)(O)	C(CCN)(CCO)(H)	C(NC[6a])(CH3)(CCH)	C(CH3)(CCH)(O)	126.0620	0.000	1	126.0620	0.000	1	126.0620	0.000	1	126.0620	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:4:3:	4:3:2:	C-3:C-3:H-1:	N-2:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NC[6])(CH3)(CCH)	C(CH3)(CCH)(OH)	C(CCN)(CCO)(H)	C(NC[6])(CH3)(CCH)	C(CH3)(CCH)(OH)	124.5007	0.259	4	124.5007	0.067	4	124.8775	0.381	6	124.8775	0.381	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:4:3:	4:3:2:	C-3:C-3:H-1:	N-2:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NC[6a])(CH3)(CCH)	C(CH3)(CCH)(OH)	C(CCN)(CCO)(H)	C(NC[6a])(CH3)(CCH)	C(CH3)(CCH)(OH)	125.6310	0.000	2	125.6310	0.000	2	124.8775	0.381	6	124.8775	0.381	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:4:3:	4:3:3:	C-3:C-3:H-1:	N-2:C-4:C-3:	C-4:C-3:N-3:	C(CCN)2(H)	C(NC[6a])(CH3)(CCH)	C(CH3)(CCH)(NCH)	C(CCN)2(H)	C(NC[6a])(CH3)(CCH)	C(CH3)(CCH)(NCH)	126.5103	0.591	3	126.5103	0.349	3	126.5103	0.349	3	129.7826	16.472	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:4:3:	4:3:3:	C-3:C-3:H-1:	O-2:C-4:C-3:	C-4:C-3:N-3:	C(CCN)(CCO)(H)	C(OIn[5,6,6])(CH3)(CCH)	C(CH3)(CCH)(NCH)	C(CCN)(CCO)(H)	C(OIn[5,6,6])(CH3)(CCH)	C(CH3)(CCH)(NCH)	124.7810	0.000	1	124.7810	0.000	1	124.7810	0.000	1	129.7826	16.472	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	2:4:3:	4:3:3:	C-3:C-3:H-1:	Se-2:C-4:C-3:	C-4:C-3:C-3:	C(CSeC)(CCC)(H)	C(SeC[6a])(CCCO)(CCH)	C(CCCO)(CCH)(CHH)	C(CSeC)(CCC)(H)	C(SeC[6a])(CCCO)(CCH)	C(CCCO)(CCH)(CHH)	133.4872	0.925	4	133.4872	0.855	4	133.4872	0.855	4	129.7826	16.472	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:1:1:	3:1:1:	C-3:C-3:H-1:	C-3:H-1:H-1:	C-3:H-1:H-1:	C(CHH)2(H)	C(CCH)(H)2	C(CCH)(H)2	C(CHH)2(H)	C(CCH)(H)2	C(CCH)(H)2	119.1300	6.208	2	119.1300	38.544	2	119.1300	38.544	2	120.2513	11.040	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:1:1:	3:1:1:	C-3:C-3:H-1:	C-3:H-1:H-1:	C-3:O-1:O-1:	C(CHH)(COO)(H)	C(CCH)(H)2	C(CCH)(O)2	C(CHH)(COO)(H)	C(CCH)(H)2	C(CCH)(O)2	122.2970	0.000	1	122.2970	0.000	1	122.2970	0.000	1	120.2513	11.040	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:1:1:	3:1:1:	C-3:C-3:H-1:	C-3:H-1:O-1:	C-3:H-1:H-1:	C(CHH)(CHO)(H)	C(CCH)(H)(O)	C(CCH)(H)2	C(CHH)(CHO)(H)	C(CCH)(H)(O)	C(CCH)(H)2	121.5960	0.361	2	121.5960	0.130	2	121.5960	0.130	2	120.2513	11.040	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:1:1:	3:1:1:	C-3:C-3:O-1:	C-3:D-1:D-1:	C-3:D-1:D-1:	C(CDD)2(O)	C(CCO)(D)2	C(CCO)(D)2	C(CDD)2(O)	C(CCO)(D)2	C(CCO)(D)2	117.7590	0.000	1	117.7590	0.000	1	117.7590	0.000	1	120.2513	11.040	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:1:1:	3:3:1:	C-3:C-3:H-1:	C-3:Cl-1:H-1:	C-3:C-3:H-1:	C(CClH)(CCH)(H)	C(CCH)(Cl)(H)	C(CCH)2(H)	C(CClH)(CCH)(H)	C(CCH)(Cl)(H)	C(CCH)2(H)	121.7290	0.000	1	121.7290	0.000	1	121.7290	0.000	1	123.2318	7.079	23	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:1:1:	3:3:1:	C-3:C-3:H-1:	C-3:H-1:H-1:	C-3:C-3:H-1:	C(CCH)(CHH)(H)	C(CCH)(H)2	C(CCH)2(H)	C(CCH)(CHH)(H)	C(CCH)(H)2	C(CCH)2(H)	121.3390	4.058	5	121.3390	16.466	5	121.3390	16.466	5	123.2318	7.079	23	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:1:1:	3:3:1:	C-3:C-3:H-1:	C-3:H-1:O-1:	C-3:C-3:H-1:	C(CCH)(CHO)(H)	C(CCH)(H)(O)	C(CCH)2(H)	C(CCH)(CHO)(H)	C(CCH)(H)(O)	C(CCH)2(H)	121.5788	1.147	5	121.5788	1.316	5	121.5788	1.316	5	123.2318	7.079	23	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:1:1:	3:3:1:	C-3:C-3:H-1:	C-3:O-1:O-1:	C-3:C-3:H-1:	C(CCH)(COO)(H)	C(CCH)(O)2	C(CCH)2(H)	C(CCH)(COO)(H)	C(CCH)(O)2	C(CCH)2(H)	124.8345	1.347	12	124.8345	1.814	12	124.8345	1.814	12	123.2318	7.079	23	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	3:1:1:	C-3:C-3:Br-1:	C-3:O-2:H-1:	C-3:H-1:O-1:	C(CHO)2(Br)	C(CBrC)(OH)(H)	C(CBrC)(H)(O)	C(CHO)2(Br)	C(CBrC)(OH)(H)	C(CBrC)(H)(O)	118.1185	0.537	2	118.1185	0.288	2	118.1185	0.288	2	122.5252	7.360	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	3:1:1:	C-3:C-3:H-1:	C-3:O-2:H-1:	C-3:H-1:H-1:	C(CHH)(CHO)(H)	C(CCH)(OC)(H)	C(CCH)(H)2	C(CHH)(CHO)(H)	C(CCH)(OC)(H)	C(CCH)(H)2	129.2020	0.000	1	129.2020	0.000	1	129.2020	0.000	1	122.5252	7.360	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	3:1:1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(CHH)(COO)(H)	C(CCH)(OC)(O)	C(CCH)(H)2	C(CHH)(COO)(H)	C(CCH)(OC)(O)	C(CCH)(H)2	122.7986	1.702	8	122.7986	2.895	8	122.6663	3.463	15	122.5252	7.360	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	3:1:1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(CHH)(COO)(H)	C(CCH)(OH)(O)	C(CCH)(H)2	C(CHH)(COO)(H)	C(CCH)(OH)(O)	C(CCH)(H)2	122.5470	1.971	3	122.5470	3.885	3	122.6663	3.463	15	122.5252	7.360	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	3:1:1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(CHH)(COO)(H)	C(CCH)(ON)(O)	C(CCH)(H)2	C(CHH)(COO)(H)	C(CCH)(ON)(O)	C(CCH)(H)2	120.1890	0.000	1	120.1890	0.000	1	122.6663	3.463	15	122.5252	7.360	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	3:1:1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(CHH)(COO)(H)	C(CCH)(OP)(O)	C(CCH)(H)2	C(CHH)(COO)(H)	C(CCH)(OP)(O)	C(CCH)(H)2	120.6150	0.000	1	120.6150	0.000	1	122.6663	3.463	15	122.5252	7.360	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	3:1:1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(CHH)(COO)(H)	C(CCH)(OZn)(O)	C(CCH)(H)2	C(CHH)(COO)(H)	C(CCH)(OZn)(O)	C(CCH)(H)2	124.5805	1.609	2	124.5805	2.588	2	122.6663	3.463	15	122.5252	7.360	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	3:1:1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:H-1:I-1:	C(CHI)(COO)(H)	C(CCH)(OH)(O)	C(CCH)(H)(I)	C(CHI)(COO)(H)	C(CCH)(OH)(O)	C(CCH)(H)(I)	122.5440	0.000	1	122.5440	0.000	1	122.5440	0.000	1	122.5252	7.360	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-2:H-1:	C-3:C-2:H-1:	C(CCH)2(H)	C(CCH)(CC)(H)	C(CCH)(CH)(H)	C(CCH)2(H)	C(CCH)(CC)(H)	C(CCH)(CH)(H)	114.8127	7.512	8	114.8127	56.432	8	115.6348	55.460	9	118.4080	39.752	17	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-2:H-1:	C-3:C-2:H-1:	C(CCH)2(H)	C(CCH)(CH)(H)	C(CCH)(CH)(H)	C(CCH)2(H)	C(CCH)(CH)(H)	C(CCH)(CH)(H)	122.2110	0.000	1	122.2110	0.000	1	115.6348	55.460	9	118.4080	39.752	17	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-2:H-1:	C-3:N-2:H-1:	C(CCH)(CHN)(H)	C(CCH)(CC)(H)	C(CCH)(NN)(H)	C(CCH)(CHN)(H)	C(CCH)(CC)(H)	C(CCH)(NN)(H)	124.9830	0.000	1	124.9830	0.000	1	124.9830	0.000	1	118.4080	39.752	17	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	3:2:1:	C-3:C-3:H-1:	C-3:O-2:H-1:	C-3:O-2:O-1:	C(CHO)(COO)(H)	C(CCH)(OC)(H)	C(CCH)(OC)(O)	C(CHO)(COO)(H)	C(CCH)(OC)(H)	C(CCH)(OC)(O)	119.9945	2.423	2	119.9945	5.872	2	119.9945	5.872	2	118.4080	39.752	17	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	3:2:1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:O-2:H-1:	C(CHO)(COO)(H)	C(CCH)(OC)(O)	C(CCH)(ON)(H)	C(CHO)(COO)(H)	C(CCH)(OC)(O)	C(CCH)(ON)(H)	120.7540	2.523	2	120.7540	6.365	2	120.7540	6.365	2	118.4080	39.752	17	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	3:2:1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:O-2:O-1:	C(COO)2(H)	C(CCH)(OC)(O)	C(CCH)(OC)(O)	C(COO)2(H)	C(CCH)(OC)(O)	C(CCH)(OC)(O)	122.3680	0.000	1	122.3680	0.000	1	120.6845	5.668	2	118.4080	39.752	17	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	3:2:1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:O-2:O-1:	C(COO)2(H)	C(CCH)(OCr)(O)	C(CCH)(OCr)(O)	C(COO)2(H)	C(CCH)(OCr)(O)	C(CCH)(OCr)(O)	119.0010	0.000	1	119.0010	0.000	1	120.6845	5.668	2	118.4080	39.752	17	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	3:2:1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:S-2:H-1:	C(CHS)(COO)(H)	C(CCH)(OC)(O)	C(CCH)(SC)(H)	C(CHS)(COO)(H)	C(CCH)(OC)(O)	C(CCH)(SC)(H)	124.3740	0.000	1	124.3740	0.000	1	124.3740	0.000	1	118.4080	39.752	17	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	3:2:2:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:O-2:O-2:	C(COO)2(H)	C(CCH)(OCu)(O)	C(CCH)(OCu)2	C(COO)2(H)	C(CCH)(OCu)(O)	C(CCH)(OCu)2	121.4810	0.000	1	121.4810	0.000	1	121.4810	0.000	1	122.3595	1.544	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	3:2:2:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:S-2:S-2:	C(COO)(CSS)(H)	C(CCH)(OC)(O)	C(CCH)(SC)2	C(COO)(CSS)(H)	C(CCH)(OC)(O)	C(CCH)(SC)2	123.2380	0.000	1	123.2380	0.000	1	123.2380	0.000	1	122.3595	1.544	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-2:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CCH)(CC)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CCH)(CC)(H)	C(CCH)2(H)	152.5360	0.000	1	152.5360	0.000	1	118.3835	311.394	8	122.9184	36.826	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-2:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CCH)(CH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CCH)(CH)(H)	C(CCH)2(H)	114.2424	14.282	5	114.2424	203.989	5	118.3835	311.394	8	122.9184	36.826	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-2:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CCH)(CSb)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CCH)(CSb)(H)	C(CCH)2(H)	114.9200	0.000	1	114.9200	0.000	1	118.3835	311.394	8	122.9184	36.826	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-2:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CCH)(CTe)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CCH)(CTe)(H)	C(CCH)2(H)	108.4000	0.000	1	108.4000	0.000	1	118.3835	311.394	8	122.9184	36.826	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-2:H-1:	C-3:C-3:O-1:	C(CCH)(CCO)(H)	C(CCH)(CH)(H)	C(CCH)2(O)	C(CCH)(CCO)(H)	C(CCH)(CH)(H)	C(CCH)2(O)	104.3490	0.000	1	104.3490	0.000	1	104.3490	0.000	1	122.9184	36.826	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	3:3:1:	C-3:C-3:H-1:	C-3:O-2:H-1:	C-3:C-3:H-1:	C(CCH)(CHO)(H)	C(CCH)(OP)(H)	C(CCH)2(H)	C(CCH)(CHO)(H)	C(CCH)(OP)(H)	C(CCH)2(H)	126.8455	1.730	2	126.8455	2.994	2	126.8455	2.994	2	122.9184	36.826	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	3:3:1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:C-3:H-1:	C(CCH)(COO)(H)	C(CCH)(OC)(O)	C(CCH)2(H)	C(CCH)(COO)(H)	C(CCH)(OC)(O)	C(CCH)2(H)	123.4651	2.630	60	123.4651	6.916	60	123.5287	5.951	77	122.9184	36.826	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	3:3:1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:C-3:H-1:	C(CCH)(COO)(H)	C(CCH)(OH)(O)	C(CCH)2(H)	C(CCH)(COO)(H)	C(CCH)(OH)(O)	C(CCH)2(H)	123.7529	1.642	17	123.7529	2.695	17	123.5287	5.951	77	122.9184	36.826	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	3:3:2:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:C-3:O-2:	C(CCO)(COO)(H)	C(CCH)(OC)(O)	C(CCH)2(OH)	C(CCO)(COO)(H)	C(CCH)(OC)(O)	C(CCH)2(OH)	122.8340	0.000	1	122.8340	0.000	1	123.8920	2.239	2	123.8920	2.239	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	3:3:2:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:C-3:O-2:	C(CCO)(COO)(H)	C(CCH)(OC)(O)	C(CCH)2(OS)	C(CCO)(COO)(H)	C(CCH)(OC)(O)	C(CCH)2(OS)	124.9500	0.000	1	124.9500	0.000	1	123.8920	2.239	2	123.8920	2.239	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	3:3:3:	C-3:C-3:H-1:	C-3:N-2:H-1:	C-3:C-3:N-3:	C(CCN)(CHN)(H)	C(CCH)(NSi)(H)	C(CCH)2(NCC)	C(CCN)(CHN)(H)	C(CCH)(NSi)(H)	C(CCH)2(NCC)	130.3160	0.000	1	130.3160	0.000	1	130.3160	0.000	1	128.3813	17.080	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	3:3:3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-3:C-3:N-3:	C(CCN)(COO)(H)	C(CCH)(OC)(O)	C(CCH)2(NHS)	C(CCN)(COO)(H)	C(CCH)(OC)(O)	C(CCH)2(NHS)	123.6360	0.000	1	123.6360	0.000	1	123.6360	0.000	1	128.3813	17.080	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	3:3:3:	C-3:C-3:H-1:	C-3:S-2:H-1:	C-3:C-3:N-3:	C(CCN)(CHS)(H)	C(CCH)(SC)(H)	C(CCH)2(NCC)	C(CCN)(CHS)(H)	C(CCH)(SC)(H)	C(CCH)2(NCC)	131.1920	0.000	1	131.1920	0.000	1	131.1920	0.000	1	128.3813	17.080	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	4:3:1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-4:C-3:H-1:	C(CCH)(COO)(H)	C(CCH)(OCo)(O)	C(CH3)(CCH)(H)	C(CCH)(COO)(H)	C(CCH)(OCo)(O)	C(CH3)(CCH)(H)	125.6840	0.638	2	125.6840	0.407	2	124.8205	1.130	4	124.8205	1.130	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	4:3:1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-4:C-3:H-1:	C(CCH)(COO)(H)	C(CCH)(OCu)(O)	C(CH3)(CCH)(H)	C(CCH)(COO)(H)	C(CCH)(OCu)(O)	C(CH3)(CCH)(H)	123.9570	0.000	2	123.9570	0.000	2	124.8205	1.130	4	124.8205	1.130	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	4:3:3:	C-3:C-3:H-1:	C-3:C-2:H-1:	C-4:C-3:C-3:	C(CCC)(CCH)(H)	C(CCH)(CH)(H)	C(CH3)(CCH)2	C(CCC)(CCH)(H)	C(CCH)(CH)(H)	C(CH3)(CCH)2	112.3400	5.545	2	112.3400	30.748	2	112.3400	30.748	2	123.9297	56.110	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	4:3:3:	C-3:C-3:H-1:	C-3:N-2:H-1:	C-4:C-3:C-3:	C(CCC)(CHN)(H)	C(CCH)(NN)(H)	C(CH3)(CCH)2	C(CCC)(CHN)(H)	C(CCH)(NN)(H)	C(CH3)(CCH)2	126.7740	0.000	1	126.7740	0.000	1	126.7740	0.000	1	123.9297	56.110	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	4:3:3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-4:C-3:C-3:	C(CCC)(COO)(H)	C(CCH)(OC)(O)	C(CC3)(CCH)2	C(CCC)(COO)(H)	C(CCH)(OC)(O)	C(CC3)(CCH)2	126.7890	0.000	1	126.7890	0.000	1	127.9968	0.646	5	123.9297	56.110	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	4:3:3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-4:C-3:C-3:	C(CCC)(COO)(H)	C(CCH)(OC)(O)	C(CCHH)(CCH)2	C(CCC)(COO)(H)	C(CCH)(OC)(O)	C(CCHH)(CCH)2	127.8910	0.000	1	127.8910	0.000	1	127.9968	0.646	5	123.9297	56.110	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	4:3:3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-4:C-3:C-3:	C(CCC)(COO)(H)	C(CCH)(OH)(O)	C(CH3)(CCH)2	C(CCC)(COO)(H)	C(CCH)(OH)(O)	C(CH3)(CCH)2	128.4347	0.519	3	128.4347	0.269	3	127.9968	0.646	5	123.9297	56.110	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	4:4:3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-4:C-4:C-3:	C(CCC)(COO)(H)	C(CCH)(OC)(O)	C(CH3)2(CCH)	C(CCC)(COO)(H)	C(CCH)(OC)(O)	C(CH3)2(CCH)	126.3600	3.944	2	126.3600	15.557	2	126.8785	5.744	4	126.8785	5.744	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:1:	4:4:3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C-4:C-4:C-3:	C(CCC)(COO)(H)	C(CCH)(OIr)(O)	C(CH3)2(CCH)	C(CCC)(COO)(H)	C(CCH)(OIr)(O)	C(CH3)2(CCH)	127.3970	0.774	2	127.3970	0.598	2	126.8785	5.744	4	126.8785	5.744	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:2:	3:1:1:	C-3:C-3:H-1:	C-3:O-2:N-2:	C-3:H-1:H-1:	C(CHH)(CNO)(H)	C(CCH)(ONi)(NH)	C(CCH)(H)2	C(CHH)(CNO)(H)	C(CCH)(ONi)(NH)	C(CCH)(H)2	122.4900	0.000	1	122.4900	0.000	1	122.4900	0.000	1	122.5080	0.429	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:2:	3:1:1:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:H-1:H-1:	C(CHH)(COO)(H)	C(CCH)(OAl)2	C(CCH)(H)2	C(CHH)(COO)(H)	C(CCH)(OAl)2	C(CCH)(H)2	122.5170	0.926	2	122.5170	0.858	2	122.5170	0.858	2	122.5080	0.429	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:2:	3:2:1:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:O-2:O-1:	C(COO)2(H)	C(CCH)(ORu)(OC)	C(CCH)(OC)(O)	C(COO)2(H)	C(CCH)(ORu)(OC)	C(CCH)(OC)(O)	122.4970	0.000	1	122.4970	0.000	1	122.4970	0.000	1	122.4970	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:2:	3:2:2:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:O-2:O-2:	C(COO)2(H)	C(CCH)(OFe)(OC)	C(CCH)(OFe)(OC)	C(COO)2(H)	C(CCH)(OFe)(OC)	C(CCH)(OFe)(OC)	122.3360	0.000	1	122.3360	0.000	1	122.3807	0.352	3	122.3807	0.352	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:2:	3:2:2:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:O-2:O-2:	C(COO)2(H)	C(CCH)(OOs)(OC)	C(CCH)(OOs)(OC)	C(COO)2(H)	C(CCH)(OOs)(OC)	C(CCH)(OOs)(OC)	121.8110	0.000	1	121.8110	0.000	1	122.3807	0.352	3	122.3807	0.352	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:2:	3:2:2:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:O-2:O-2:	C(COO)2(H)	C(CCH)(OPd)(OC)	C(CCH)(OPd)(OC)	C(COO)2(H)	C(CCH)(OPd)(OC)	C(CCH)(OPd)(OC)	122.9950	0.000	1	122.9950	0.000	1	122.3807	0.352	3	122.3807	0.352	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-2:C-2:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CCH)(CN)2	C(CCH)2(H)	C(CCC)(CCH)(H)	C(CCH)(CN)2	C(CCH)2(H)	125.0585	0.786	6	125.0585	0.617	6	125.0585	0.617	6	126.1028	4.633	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:2:	3:3:1:	C-3:C-3:H-1:	C-3:O-2:O-2:	C-3:C-3:H-1:	C(CCH)(COO)(H)	C(CCH)(ONb)(OC)	C(CCH)(COO)(H)	C(CCH)(COO)(H)	C(CCH)(ONb)(OC)	C(CCH)(COO)(H)	130.0845	0.733	2	130.0845	0.538	2	130.0845	0.538	2	126.1028	4.633	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:2:	3:3:1:	C-3:C-3:H-1:	C-3:S-2:C-2:	C-3:C-3:H-1:	C(CCH)(CCS)(H)	C(CCH)(SNi)(CN)	C(CNiC)(CCH)(H)	C(CCH)(CCS)(H)	C(CCH)(SNi)(CN)	C(CNiC)(CCH)(H)	124.2665	0.319	2	124.2665	0.102	2	125.6785	2.791	4	126.1028	4.633	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:2:	3:3:1:	C-3:C-3:H-1:	C-3:S-2:C-2:	C-3:C-3:H-1:	C(CCH)(CCS)(H)	C(CCH)(SPt)(CN)	C(CPtH)(CCH)(H)	C(CCH)(CCS)(H)	C(CCH)(SPt)(CN)	C(CPtH)(CCH)(H)	127.0905	0.544	2	127.0905	0.296	2	125.6785	2.791	4	126.1028	4.633	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:3:	2:4:3:	C-3:C-3:H-1:	C[6a]-3:O-2:C-3:	N-2:C-4:C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(OC[6a])(CCH)	C(NC[6a])(CH3)(CCH)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(OC[6a])(CCH)	C(NC[6a])(CH3)(CCH)	124.5120	0.000	1	124.5120	0.000	1	124.5120	0.000	1	124.5120	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:3:	3:1:1:	C-3:C-3:H-1:	C[6a]-3:O-2:C-3:	C-3:H-1:O-1:	C(CC[6a]O)(CHO)(H)	C(C[6a]C[6a]2)(OC[6])(CCH)	C(CCH)(H)(O)	C(CC[6a]O)(CHO)(H)	C(C[6a]C[6a]2)(OC[6])(CCH)	C(CCH)(H)(O)	120.7500	0.000	1	120.7500	0.000	1	120.7500	0.000	1	120.7500	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:3:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:O-2:C-3:	C-3:O-2:O-1:	C(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(OC[5])(CCH)	C(CCH)(OC)(O)	C(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(OC[5])(CCH)	C(CCH)(OC)(O)	126.6970	0.000	1	126.6970	0.000	1	126.1715	0.194	4	125.5094	2.337	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:3:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:O-2:C-3:	C-3:O-2:O-1:	C(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(OC[6])(CCH)	C(CCH)(OC)(O)	C(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(OC[6])(CCH)	C(CCH)(OC)(O)	125.9963	0.327	3	125.9963	0.107	3	126.1715	0.194	4	125.5094	2.337	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:3:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:Se-2:C-3:	C-3:O-2:O-1:	C(CC[6a]Se)(COO)(H)	C(C[6a]C[6a]2)(SeC[6a])(CCH)	C(CCH)(OC)(O)	C(CC[6a]Se)(COO)(H)	C(C[6a]C[6a]2)(SeC[6a])(CCH)	C(CCH)(OC)(O)	122.8610	0.000	1	122.8610	0.000	1	122.8610	0.000	1	125.5094	2.337	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:3:	3:2:3:	C-3:C-3:H-1:	C[6a]-3:N-2:C-3:	C[6a]-3:N-2:C-3:	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NC[6a])(CCH)	C(C[6a]C[6a]2)(NC[6a])(CCH)	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NC[6a])(CCH)	C(C[6a]C[6a]2)(NC[6a])(CCH)	130.4110	0.000	1	130.4110	0.000	1	130.4110	0.000	1	123.7405	88.991	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:3:	3:2:3:	C-3:C-3:O-1:	C[6a]-3:N-2:C-3:	C[6a]-3:N-2:C-3:	C(CC[6a]N)2(O)	C(C[6a]C[6a]2)(NC[6a])(CCO)	C(C[6a]C[6a]2)(NC[6a])(CCO)	C(CC[6a]N)2(O)	C(C[6a]C[6a]2)(NC[6a])(CCO)	C(C[6a]C[6a]2)(NC[6a])(CCO)	117.0700	0.000	1	117.0700	0.000	1	117.0700	0.000	1	123.7405	88.991	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:3:	3:3:1:	C-3:C-3:H-1:	C-3:S-2:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]O)(CCS)(H)	C(CC[6a]O)(SC[5a])(CCH)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]O)(CCS)(H)	C(CC[6a]O)(SC[5a])(CCH)	C(C[6a]C[6a]2)(CCH)(O)	122.6050	0.000	1	122.6050	0.000	1	122.6050	0.000	1	125.4090	3.268	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:N-2:C-3:	C-3:C-3:H-1:	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(NC[6a])(CCH)	C(CC[6a]N)(CCH)(H)	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(NC[6a])(CCH)	C(CC[6a]N)(CCH)(H)	124.9420	0.000	1	124.9420	0.000	1	124.9420	0.000	1	125.4090	3.268	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:N-2:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a])(CCH)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a])(CCH)	C(C[6a]C[6a]2)(CCH)(H)	127.2440	0.000	1	127.2440	0.000	1	127.2440	0.000	1	125.4090	3.268	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:S-2:C-3:	C-3:C-3:H-1:	C(CC[6a]S)(CCH)(H)	C(C[6a]C[6a]2)(SC[6a])(CCH)	C(CCH)2(H)	C(CC[6a]S)(CCH)(H)	C(C[6a]C[6a]2)(SC[6a])(CCH)	C(CCH)2(H)	126.6720	0.000	1	126.6720	0.000	1	126.6720	0.000	1	125.4090	3.268	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:S-2:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]O)(CC[6a]S)(H)	C(C[6a]C[6a]2)(SC[6a])(CCH)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]O)(CC[6a]S)(H)	C(C[6a]C[6a]2)(SC[6a])(CCH)	C(C[6a]C[6a]2)(CCH)(O)	125.5820	0.000	1	125.5820	0.000	1	125.5820	0.000	1	125.4090	3.268	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:3:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:N-2:C-3:	C[6a]-3:C-3:O-2:	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a])(CCH)	C(C[6a]C[6a]2)(CCH)(OB)	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a])(CCH)	C(C[6a]C[6a]2)(CCH)(OB)	131.0270	0.000	1	131.0270	0.000	1	131.0270	0.000	1	131.0270	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:3:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:N-2:C-3:	C[6a]-3:C-4:C-3:	C(CC[6a]C)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a])(CCH)	C(C[6a]C[6a]2)(CH3)(CCH)	C(CC[6a]C)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a])(CCH)	C(C[6a]C[6a]2)(CH3)(CCH)	127.3970	0.000	1	127.3970	0.000	1	127.3970	0.000	1	127.3970	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:2:3:	4:3:1:	C-3:C-3:I-1:	C[6a]-3:S-2:C-3:	C-4:C-3:H-1:	C(CC[6a]S)(CCH)(I)	C(C[6a]C[6a]2)(SC[6a])(CCI)	C(CHHI)(CCI)(H)	C(CC[6a]S)(CCH)(I)	C(C[6a]C[6a]2)(SC[6a])(CCI)	C(CHHI)(CCI)(H)	126.0320	0.000	1	126.0320	0.000	1	126.0320	0.000	1	126.0320	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	2:2:3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	N-2:O-2:C-3:	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[6a])(OC[6a])(CCH)	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[6a])(OC[6a])(CCH)	124.3360	0.349	2	124.3360	0.122	2	124.3360	0.122	2	124.3360	0.122	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	2:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	O-2:C-3:H-1:	C(CCH)(CHO)(H)	C(CC[6,6]H)(CCH)(H)	C(OC[6])(CCH)(H)	C(CCH)(CHO)(H)	C(CC[6,6]H)(CCH)(H)	C(OC[6])(CCH)(H)	131.0760	0.000	1	131.0760	0.000	1	131.0760	0.000	1	122.3094	4.367	77	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	2:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	N-2:C-3:H-1:	C(CC[5a]H)(CHN)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(NN[5])(CCH)(H)	C(CC[5a]H)(CHN)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(NN[5])(CCH)(H)	120.4373	2.106	3	120.4373	4.435	3	120.4373	4.435	3	122.3094	4.367	77	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	2:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	O-2:C-3:O-1:	C(CC[5a]H)(COO)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(ON[5])(CCH)(O)	C(CC[5a]H)(COO)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(ON[5])(CCH)(O)	121.0940	0.000	1	121.0940	0.000	1	121.0940	0.000	1	122.3094	4.367	77	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	2:3:1:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	N-2:C-3:H-1:	C(CC[6]H)(CHN)(H)	C(C[6]C[6]O[6])(CCH)(H)	C(NC[6])(CCH)(H)	C(CC[6]H)(CHN)(H)	C(C[6]C[6]O[6])(CCH)(H)	C(NC[6])(CCH)(H)	121.5230	1.143	4	121.5230	1.306	4	121.5230	1.306	4	122.3094	4.367	77	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	2:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	N-2:C-3:H-1:	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[5a])(CCH)(H)	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[5a])(CCH)(H)	123.7600	0.157	2	123.7600	0.025	2	123.1258	1.724	22	122.3094	4.367	77	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	2:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	N-2:C-3:H-1:	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[6a])(CCH)(H)	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[6a])(CCH)(H)	123.0835	1.397	19	123.0835	1.951	19	123.1258	1.724	22	122.3094	4.367	77	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	2:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	N-2:C-3:H-1:	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NN[5])(CCH)(H)	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NN[5])(CCH)(H)	122.6610	0.000	1	122.6610	0.000	1	123.1258	1.724	22	122.3094	4.367	77	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	2:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	O-2:C-3:O-1:	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(OC[5,6])(CCH)(O)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(OC[5,6])(CCH)(O)	122.6530	3.932	2	122.6530	15.457	2	122.0205	4.090	41	122.3094	4.367	77	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	2:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	O-2:C-3:O-1:	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(OC[5])(CCH)(O)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(OC[5])(CCH)(O)	123.4875	0.796	6	123.4875	0.634	6	122.0205	4.090	41	122.3094	4.367	77	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	2:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	O-2:C-3:O-1:	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(OC[6])(CCH)(O)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(OC[6])(CCH)(O)	121.9638	2.069	17	121.9638	4.281	17	122.0205	4.090	41	122.3094	4.367	77	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	2:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	O-2:C-3:O-1:	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(OC[6a])(CCH)(O)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(OC[6a])(CCH)(O)	121.4515	1.958	16	121.4515	3.835	16	122.0205	4.090	41	122.3094	4.367	77	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	2:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	S-2:C-3:O-1:	C(CC[6a]H)(COS)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(SC[6a])(CCH)(O)	C(CC[6a]H)(COS)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(SC[6a])(CCH)(O)	120.9027	0.692	4	120.9027	0.479	4	120.9027	0.479	4	122.3094	4.367	77	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	2:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	N-2:C-3:H-1:	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(NC[6a])(CCH)(H)	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(NC[6a])(CCH)(H)	123.0360	0.000	1	123.0360	0.000	1	123.0360	0.000	1	122.3094	4.367	77	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	2:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	N-2:C-3:N-2:	C(CC[6a]H)(CNN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[6a])(CCH)(NC)	C(CC[6a]H)(CNN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[6a])(CCH)(NC)	123.4670	0.000	1	123.4670	0.000	1	123.3475	0.029	2	121.6570	8.588	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	2:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	N-2:C-3:N-2:	C(CC[6a]H)(CNN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NN[6])(CCH)(NC)	C(CC[6a]H)(CNN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NN[6])(CCH)(NC)	123.2280	0.000	1	123.2280	0.000	1	123.3475	0.029	2	121.6570	8.588	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	2:3:2:	C-3:C-3:O-1:	C-3:C-3:H-1:	N-2:C-3:C-2:	C(CCH)(CCN)(O)	C(CC[6a]H)(CCO)(H)	C(NC[6a])(CCO)(CN)	C(CCH)(CCN)(O)	C(CC[6a]H)(CCO)(H)	C(NC[6a])(CCO)(CN)	118.2760	0.000	1	118.2760	0.000	1	118.2760	0.000	1	121.6570	8.588	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	2:3:3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	O-2:C-3:C-3:	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(OC[6a])(CCC)(CCH)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(OC[6a])(CCC)(CCH)	124.8970	0.000	1	124.8970	0.000	1	124.8970	0.000	1	125.1245	0.104	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	2:3:3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	S-2:C-3:C-3:	C(CC[6a]H)(CCS)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(SC[6a])(CCH)2	C(CC[6a]H)(CCS)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(SC[6a])(CCH)2	125.3520	0.000	1	125.3520	0.000	1	125.3520	0.000	1	125.1245	0.104	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	2:4:3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	N-2:C-4:C-3:	C(CC[6a]H)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[6a])(CCCH)(CCH)	C(CC[6a]H)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[6a])(CCCH)(CCH)	127.4385	0.572	2	127.4385	0.327	2	126.6940	1.826	3	124.3238	23.690	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	2:4:3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	N-2:C-4:C-3:	C(CC[6a]H)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[6a])(CCHH)(CCH)	C(CC[6a]H)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[6a])(CCHH)(CCH)	125.2050	0.000	1	125.2050	0.000	1	126.6940	1.826	3	124.3238	23.690	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	2:4:3:	C-3:C-3:O-1:	C-3:C-3:H-1:	N-2:C-4:C-3:	C(CCH)(CCN)(O)	C(CC[6a]C)(CCO)(H)	C(NN[6])(CH3)(CCO)	C(CCH)(CCN)(O)	C(CC[6a]C)(CCO)(H)	C(NN[6])(CH3)(CCO)	117.2130	0.000	1	117.2130	0.000	1	117.2130	0.000	1	124.3238	23.690	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:Br-1:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CCH)(CHH)(Br)	C(CC[6a]C)(CBrC)(H)	C(CBrC)(H)2	C(CCH)(CHH)(Br)	C(CC[6a]C)(CBrC)(H)	C(CBrC)(H)2	128.5730	0.000	1	128.5730	0.000	1	128.5730	0.000	1	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:F-1:	C[6a]-3:C-3:O-1:	C-3:F-1:H-1:	C(CC[6a]O)(CFH)(F)	C(C[6a]C[6a]2)(CCF)(O)	C(CCF)(F)(H)	C(CC[6a]O)(CFH)(F)	C(C[6a]C[6a]2)(CCF)(O)	C(CCF)(F)(H)	125.7380	0.000	1	125.7380	0.000	1	125.7380	0.000	1	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:H-1:H-1:	C(CBrC)(CHH)(H)	C(CCH)(CHN)(Br)	C(CCH)(H)2	C(CBrC)(CHH)(H)	C(CCH)(CHN)(Br)	C(CCH)(H)2	126.6020	0.000	1	126.6020	0.000	1	126.6020	0.000	1	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	C-3:C-3:Cl-1:	C-3:Br-1:Br-1:	C(CBr2)(CClC)(H)	C(CSiC)(CCH)(Cl)	C(CCH)(Br)2	C(CBr2)(CClC)(H)	C(CSiC)(CCH)(Cl)	C(CCH)(Br)2	128.7300	0.000	1	128.7300	0.000	1	128.7300	0.000	1	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CCH)(CHH)(H)	C(CCC)(CCH)(H)	C(CCH)(H)2	C(CCH)(CHH)(H)	C(CCC)(CCH)(H)	C(CCH)(H)2	122.2115	0.842	2	122.2115	0.709	2	123.7849	1.298	25	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CCH)(CHH)(H)	C(CCH)(CCO)(H)	C(CCH)(H)2	C(CCH)(CHH)(H)	C(CCH)(CCO)(H)	C(CCH)(H)2	124.5040	0.168	2	124.5040	0.028	2	123.7849	1.298	25	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CCH)(CHH)(H)	C(CCH)(CHN)(H)	C(CCH)(H)2	C(CCH)(CHH)(H)	C(CCH)(CHN)(H)	C(CCH)(H)2	124.3490	0.000	1	124.3490	0.000	1	123.7849	1.298	25	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CCH)(CHH)(H)	C(CCH)(CHS)(H)	C(CCH)(H)2	C(CCH)(CHH)(H)	C(CCH)(CHS)(H)	C(CCH)(H)2	124.0445	2.200	2	124.0445	4.839	2	123.7849	1.298	25	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CCH)(CHH)(H)	C(CC[5,5,6]H)(CCH)(H)	C(CCH)(H)2	C(CCH)(CHH)(H)	C(CC[5,5,6]H)(CCH)(H)	C(CCH)(H)2	124.9490	0.000	1	124.9490	0.000	1	123.7849	1.298	25	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CCH)(CHH)(H)	C(CC[5]H)(CCH)(H)	C(CCH)(H)2	C(CCH)(CHH)(H)	C(CC[5]H)(CCH)(H)	C(CCH)(H)2	124.6820	0.926	6	124.6820	0.857	6	123.7849	1.298	25	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CCH)(CHH)(H)	C(CC[6a]2)(CCH)(H)	C(CCH)(H)2	C(CCH)(CHH)(H)	C(CC[6a]2)(CCH)(H)	C(CCH)(H)2	123.3250	0.000	1	123.3250	0.000	1	123.7849	1.298	25	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CCH)(CHH)(H)	C(CC[6a]C)(CCH)(H)	C(CCH)(H)2	C(CCH)(CHH)(H)	C(CC[6a]C)(CCH)(H)	C(CCH)(H)2	122.9860	0.590	3	122.9860	0.349	3	123.7849	1.298	25	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CCH)(CHH)(H)	C(CC[6a]H)(CCH)(H)	C(CCH)(H)2	C(CCH)(CHH)(H)	C(CC[6a]H)(CCH)(H)	C(CCH)(H)2	122.8083	0.320	4	122.8083	0.102	4	123.7849	1.298	25	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CCH)(CHH)(H)	C(CN[5]H)(CCH)(H)	C(CCH)(H)2	C(CCH)(CHH)(H)	C(CN[5]H)(CCH)(H)	C(CCH)(H)2	124.8520	0.000	1	124.8520	0.000	1	123.7849	1.298	25	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CCH)(CHH)(H)	C(CN[5]O)(CCH)(H)	C(CCH)(H)2	C(CCH)(CHH)(H)	C(CN[5]O)(CCH)(H)	C(CCH)(H)2	123.6725	0.743	2	123.6725	0.552	2	123.7849	1.298	25	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:H-1:I-1:	C(CCH)(CHI)(H)	C(CCH)(CHI)(H)	C(CCH)(H)(I)	C(CCH)(CHI)(H)	C(CCH)(CHI)(H)	C(CCH)(H)(I)	124.8297	4.144	4	124.8297	17.175	4	124.8297	17.175	4	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:H-1:O-1:	C(CCH)(CHO)(H)	C(CCC)(CCH)(H)	C(CCH)(H)(O)	C(CCH)(CHO)(H)	C(CCC)(CCH)(H)	C(CCH)(H)(O)	120.0560	0.000	1	120.0560	0.000	1	119.4895	0.642	2	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:H-1:O-1:	C(CCH)(CHO)(H)	C(CCH)(CCN)(H)	C(CCH)(H)(O)	C(CCH)(CHO)(H)	C(CCH)(CCN)(H)	C(CCH)(H)(O)	118.9230	0.000	1	118.9230	0.000	1	119.4895	0.642	2	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:O-1:O-1:	C(CCH)(COO)(H)	C(CCH)(COO)(H)	C(CCH)(O)2	C(CCH)(COO)(H)	C(CCH)(COO)(H)	C(CCH)(O)2	127.8027	3.360	320	127.8027	11.293	320	127.8027	11.293	320	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	C-3:N-3:O-1:	C-3:H-1:H-1:	C(CHH)(CNO)(H)	C(CCH)(NCC)(O)	C(CCH)(H)2	C(CHH)(CNO)(H)	C(CCH)(NCC)(O)	C(CCH)(H)2	119.9340	0.000	1	119.9340	0.000	1	121.9229	2.453	20	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	C-3:N-3:O-1:	C-3:H-1:H-1:	C(CHH)(CNO)(H)	C(CCH)(NCH)(O)	C(CCH)(H)2	C(CHH)(CNO)(H)	C(CCH)(NCH)(O)	C(CCH)(H)2	122.2692	1.249	17	122.2692	1.560	17	121.9229	2.453	20	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	C-3:N-3:O-1:	C-3:H-1:H-1:	C(CHH)(CNO)(H)	C(CCH)(NCS)(O)	C(CCH)(H)2	C(CHH)(CNO)(H)	C(CCH)(NCS)(O)	C(CCH)(H)2	117.9660	0.000	1	117.9660	0.000	1	121.9229	2.453	20	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	C-3:N-3:O-1:	C-3:H-1:H-1:	C(CHH)(CNO)(H)	C(CCH)(NHH)(O)	C(CCH)(H)2	C(CHH)(CNO)(H)	C(CCH)(NHH)(O)	C(CCH)(H)2	121.9820	0.000	1	121.9820	0.000	1	121.9229	2.453	20	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:H-1:O-1:	C(CC[5a]H)(CHO)(H)	C(C[5a]C[5a]2)(CCH)(H)	C(CCH)(H)(O)	C(CC[5a]H)(CHO)(H)	C(C[5a]C[5a]2)(CCH)(H)	C(CCH)(H)(O)	121.3070	0.000	1	121.3070	0.000	1	121.2246	2.026	5	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:H-1:O-1:	C(CC[5a]H)(CHO)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CCH)(H)(O)	C(CC[5a]H)(CHO)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CCH)(H)(O)	122.9930	0.000	1	122.9930	0.000	1	121.2246	2.026	5	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:H-1:O-1:	C(CC[5a]H)(CHO)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CCH)(H)(O)	C(CC[5a]H)(CHO)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CCH)(H)(O)	120.9570	0.000	1	120.9570	0.000	1	121.2246	2.026	5	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:H-1:O-1:	C(CC[5a]H)(CHO)(H)	C(C[5a]N[5a,6]C[5a])(CCH)(H)	C(CCH)(H)(O)	C(CC[5a]H)(CHO)(H)	C(C[5a]N[5a,6]C[5a])(CCH)(H)	C(CCH)(H)(O)	120.4330	1.909	2	120.4330	3.645	2	121.2246	2.026	5	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	C[6,6]-3:C-3:H-1:	C-3:H-1:H-1:	C(CC[6,6]H)(CHH)(H)	C(C[6,6]C[4,6,6]C[6,6])(CCH)(H)	C(CCH)(H)2	C(CC[6,6]H)(CHH)(H)	C(C[6,6]C[4,6,6]C[6,6])(CCH)(H)	C(CCH)(H)2	132.8240	0.000	1	132.8240	0.000	1	132.8240	0.000	1	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(CC[6]H)(CHH)(H)	C(C[6]C[6]2)(CCH)(H)	C(CCH)(H)2	C(CC[6]H)(CHH)(H)	C(C[6]C[6]2)(CCH)(H)	C(CCH)(H)2	124.0910	0.000	1	124.0910	0.000	1	124.0910	0.000	1	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:O-1:O-1:	C(CC[6]H)(COO)(H)	C(C[6]C[6]2)(CCH)(H)	C(CCH)(O)2	C(CC[6]H)(COO)(H)	C(C[6]C[6]2)(CCH)(H)	C(CCH)(O)2	121.0415	0.533	4	121.0415	0.285	4	121.0415	0.285	4	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	C[6a]-3:C-3:Cl-1:	C-3:H-1:O-1:	C(CC[6a]Cl)(CHO)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	C(CCH)(H)(O)	C(CC[6a]Cl)(CHO)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	C(CCH)(H)(O)	127.3280	0.000	1	127.3280	0.000	1	127.3280	0.000	1	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:H-1:O-1:	C(CC[6a]H)(CHO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(H)(O)	C(CC[6a]H)(CHO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(H)(O)	120.5747	1.346	7	120.5747	1.813	7	120.5747	1.813	7	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:O-1:O-1:	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(O)2	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(O)2	123.7614	1.813	49	123.7614	3.286	49	123.7614	3.286	49	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:H-1:H-1:	C(CHH)(CHN)(H)	C(NC[5]S)(CCH)(H)	C(CCH)(H)2	C(CHH)(CHN)(H)	C(NC[5]S)(CCH)(H)	C(CCH)(H)2	123.5830	0.000	1	123.5830	0.000	1	122.3275	3.153	2	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:H-1:H-1:	C(CHH)(CHN)(H)	C(NRuH)(CCH)(H)	C(CCH)(H)2	C(CHH)(CHN)(H)	C(NRuH)(CCH)(H)	C(CCH)(H)2	121.0720	0.000	1	121.0720	0.000	1	122.3275	3.153	2	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:H-1:H-1:	C(CHH)(CNO)(H)	C(NC[6]H)(CCH)(O)	C(CCH)(H)2	C(CHH)(CNO)(H)	C(NC[6]H)(CCH)(O)	C(CCH)(H)2	121.4130	0.692	2	121.4130	0.478	2	121.4221	0.870	7	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:H-1:H-1:	C(CHH)(CNO)(H)	C(NC[6a]C)(CCH)(O)	C(CCH)(H)2	C(CHH)(CNO)(H)	C(NC[6a]C)(CCH)(O)	C(CCH)(H)2	121.2240	0.000	1	121.2240	0.000	1	121.4221	0.870	7	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:H-1:H-1:	C(CHH)(CNO)(H)	C(NC[6a]C[6])(CCH)(O)	C(CCH)(H)2	C(CHH)(CNO)(H)	C(NC[6a]C[6])(CCH)(O)	C(CCH)(H)2	120.5115	0.489	2	120.5115	0.239	2	121.4221	0.870	7	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:H-1:H-1:	C(CHH)(CNO)(H)	C(NC[6a]H)(CCH)(O)	C(CCH)(H)2	C(CHH)(CNO)(H)	C(NC[6a]H)(CCH)(O)	C(CCH)(H)2	122.4410	0.853	2	122.4410	0.727	2	121.4221	0.870	7	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	N[6]-3:C-3:H-1:	C-3:H-1:O-1:	C(CN[6]H)(CHO)(H)	C(N[6]C[6,6a]2)(CCH)(H)	C(CCH)(H)(O)	C(CN[6]H)(CHO)(H)	C(N[6]C[6,6a]2)(CCH)(H)	C(CCH)(H)(O)	116.4880	0.000	1	116.4880	0.000	1	117.4835	1.982	2	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	N[6]-3:C-3:H-1:	C-3:H-1:O-1:	C(CN[6]H)(CHO)(H)	C(N[6]C[6,6a]C[6])(CCH)(H)	C(CCH)(H)(O)	C(CN[6]H)(CHO)(H)	C(N[6]C[6,6a]C[6])(CCH)(H)	C(CCH)(H)(O)	118.4790	0.000	1	118.4790	0.000	1	117.4835	1.982	2	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:1:1:	C-3:C-3:H-1:	N[6]-3:C-3:O-1:	C-3:H-1:H-1:	C(CN[6]O)(CHH)(H)	C(N[6]C[6]2)(CCH)(O)	C(CCH)(H)2	C(CN[6]O)(CHH)(H)	C(N[6]C[6]2)(CCH)(O)	C(CCH)(H)2	120.9378	1.259	6	120.9378	1.585	6	120.9378	1.585	6	126.3391	14.518	460	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:Br-1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(Br)	C(CN[5]O)(CBrC)(H)	C(CBrC)(OH)(O)	C(CCH)(COO)(Br)	C(CN[5]O)(CBrC)(H)	C(CBrC)(OH)(O)	132.3060	0.000	1	132.3060	0.000	1	132.3060	0.000	1	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:Br-1:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(COO)(Br)	C(C[5a]C[5a,6a]C[5a])(CBrC)(H)	C(CBrC)(OC)(O)	C(CC[5a]H)(COO)(Br)	C(C[5a]C[5a,6a]C[5a])(CBrC)(H)	C(CBrC)(OC)(O)	124.2020	0.000	1	124.2020	0.000	1	121.3010	16.832	2	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:Br-1:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(COO)(Br)	C(C[5a]C[5a]N[5a])(CBrC)(H)	C(CBrC)(OC)(O)	C(CC[5a]H)(COO)(Br)	C(C[5a]C[5a]N[5a])(CBrC)(H)	C(CBrC)(OC)(O)	118.4000	0.000	1	118.4000	0.000	1	121.3010	16.832	2	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:Br-1:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(COO)(Br)	C(C[6a]C[6a]2)(CBrC)(H)	C(CBrC)(OC)(O)	C(CC[6a]H)(COO)(Br)	C(C[6a]C[6a]2)(CBrC)(H)	C(CBrC)(OC)(O)	122.7940	0.000	1	122.7940	0.000	1	122.7940	0.000	1	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:Cl-1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(Cl)	C(CClC)(CNO)(H)	C(CClC)(OC)(O)	C(CCH)(COO)(Cl)	C(CClC)(CNO)(H)	C(CClC)(OC)(O)	125.9270	0.000	1	125.9270	0.000	1	125.8200	0.023	2	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:Cl-1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(Cl)	C(CClC)(COO)(H)	C(CClC)(OH)(O)	C(CCH)(COO)(Cl)	C(CClC)(COO)(H)	C(CClC)(OH)(O)	125.7130	0.000	1	125.7130	0.000	1	125.8200	0.023	2	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:Cl-1:	C-3:N-3:H-1:	C-3:O-2:O-1:	C(CHN)(COO)(Cl)	C(CClC)(NCH)(H)	C(CClC)(OC)(O)	C(CHN)(COO)(Cl)	C(CClC)(NCH)(H)	C(CClC)(OC)(O)	125.0190	0.000	1	125.0190	0.000	1	125.0190	0.000	1	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:Cl-1:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(COO)(Cl)	C(C[6a]C[6a]2)(CClC)(H)	C(CClC)(OC)(O)	C(CC[6a]H)(COO)(Cl)	C(C[6a]C[6a]2)(CClC)(H)	C(CClC)(OC)(O)	123.5670	0.317	2	123.5670	0.100	2	123.5670	0.100	2	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:Cl-1:	C-3:O-2:O-1:	C(CClC)(COO)(H)	C(CCH)(COO)(Cl)	C(CCH)(OH)(O)	C(CClC)(COO)(H)	C(CCH)(COO)(Cl)	C(CCH)(OH)(O)	122.0250	0.000	1	122.0250	0.000	1	122.0250	0.000	1	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-2:H-1:	C(CCH)2(H)	C(CClH)(CCH)(H)	C(CCH)(CH)(H)	C(CCH)2(H)	C(CClH)(CCH)(H)	C(CCH)(CH)(H)	121.1950	0.000	1	121.1950	0.000	1	121.1950	0.000	1	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:N-2:H-1:	C(CCH)(CHN)(H)	C(CCH)(CCN)(H)	C(CCH)(NC)(H)	C(CCH)(CHN)(H)	C(CCH)(CCN)(H)	C(CCH)(NC)(H)	126.3080	0.000	1	126.3080	0.000	1	124.9375	3.757	2	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:N-2:H-1:	C(CCH)(CHN)(H)	C(CC[6a]H)(CCH)(H)	C(CCH)(NN)(H)	C(CCH)(CHN)(H)	C(CC[6a]H)(CCH)(H)	C(CCH)(NN)(H)	123.5670	0.000	1	123.5670	0.000	1	124.9375	3.757	2	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:O-2:Cl-1:	C(CClO)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(CCH)(OC)(Cl)	C(CClO)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(CCH)(OC)(Cl)	125.8650	0.000	1	125.8650	0.000	1	125.8650	0.000	1	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:O-2:H-1:	C(CCH)(CHO)(H)	C(CAlH)(CCH)(H)	C(CCH)(OAl)(H)	C(CCH)(CHO)(H)	C(CAlH)(CCH)(H)	C(CCH)(OAl)(H)	125.5750	0.000	1	125.5750	0.000	1	127.3150	16.574	3	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:O-2:H-1:	C(CCH)(CHO)(H)	C(CC[6a]O)(CCH)(H)	C(CCH)(OC)(H)	C(CCH)(CHO)(H)	C(CC[6a]O)(CCH)(H)	C(CCH)(OC)(H)	131.9670	0.000	1	131.9670	0.000	1	127.3150	16.574	3	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:O-2:H-1:	C(CCH)(CHO)(H)	C(CMoH)(CCH)(H)	C(CCH)(OMo)(H)	C(CCH)(CHO)(H)	C(CMoH)(CCH)(H)	C(CCH)(OMo)(H)	124.4030	0.000	1	124.4030	0.000	1	127.3150	16.574	3	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CBrC)(CCH)(H)	C(CCH)(OC)(O)	C(CCH)(COO)(H)	C(CBrC)(CCH)(H)	C(CCH)(OC)(O)	121.9490	0.000	1	121.9490	0.000	1	126.9937	17.614	484	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CCC)(CCH)(H)	C(CCH)(OC)(O)	C(CCH)(COO)(H)	C(CCC)(CCH)(H)	C(CCH)(OC)(O)	121.1713	0.111	3	121.1713	0.012	3	126.9937	17.614	484	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CCH)(CCO)(H)	C(CCH)(OC)(O)	C(CCH)(COO)(H)	C(CCH)(CCO)(H)	C(CCH)(OC)(O)	121.0260	0.000	1	121.0260	0.000	1	126.9937	17.614	484	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CCH)(CNO)(H)	C(CCH)(OC)(O)	C(CCH)(COO)(H)	C(CCH)(CNO)(H)	C(CCH)(OC)(O)	123.3737	1.925	6	123.3737	3.705	6	126.9937	17.614	484	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CCH)(CNO)(H)	C(CCH)(OH)(O)	C(CCH)(COO)(H)	C(CCH)(CNO)(H)	C(CCH)(OH)(O)	131.8023	1.816	42	131.8023	3.296	42	126.9937	17.614	484	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CCH)(COO)(H)	C(CCH)(OC)(O)	C(CCH)(COO)(H)	C(CCH)(COO)(H)	C(CCH)(OC)(O)	124.3082	3.365	6	124.3082	11.324	6	126.9937	17.614	484	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CCH)(COO)(H)	C(CCH)(OCd)(O)	C(CCH)(COO)(H)	C(CCH)(COO)(H)	C(CCH)(OCd)(O)	129.8110	0.238	2	129.8110	0.056	2	126.9937	17.614	484	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CCH)(COO)(H)	C(CCH)(OCo)(O)	C(CCH)(COO)(H)	C(CCH)(COO)(H)	C(CCH)(OCo)(O)	129.7780	0.000	1	129.7780	0.000	1	126.9937	17.614	484	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CCH)(COO)(H)	C(CCH)(OCu)(O)	C(CCH)(COO)(H)	C(CCH)(COO)(H)	C(CCH)(OCu)(O)	128.0915	0.457	2	128.0915	0.209	2	126.9937	17.614	484	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CCH)(COO)(H)	C(CCH)(OEu)(O)	C(CCH)(COO)(H)	C(CCH)(COO)(H)	C(CCH)(OEu)(O)	130.3890	0.263	2	130.3890	0.069	2	126.9937	17.614	484	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CCH)(COO)(H)	C(CCH)(OFe)(O)	C(CCH)(COO)(H)	C(CCH)(COO)(H)	C(CCH)(OFe)(O)	129.6750	0.000	1	129.6750	0.000	1	126.9937	17.614	484	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CCH)(COO)(H)	C(CCH)(OH)(O)	C(CCH)(COO)(H)	C(CCH)(COO)(H)	C(CCH)(OH)(O)	126.7187	4.101	384	126.7187	16.818	384	126.9937	17.614	484	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CCH)(COO)(H)	C(CCH)(OMn)(O)	C(CCH)(COO)(H)	C(CCH)(COO)(H)	C(CCH)(OMn)(O)	123.6637	0.357	3	123.6637	0.128	3	126.9937	17.614	484	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CCH)(COO)(H)	C(CCH)(ONi)(O)	C(CCH)(COO)(H)	C(CCH)(COO)(H)	C(CCH)(ONi)(O)	124.2485	2.590	8	124.2485	6.709	8	126.9937	17.614	484	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CCH)(COO)(H)	C(CCH)(OPt)(O)	C(CCH)(COO)(H)	C(CCH)(COO)(H)	C(CCH)(OPt)(O)	122.8630	2.728	2	122.8630	7.442	2	126.9937	17.614	484	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CCH)(COO)(H)	C(CCH)(ORe)(O)	C(CCH)(COO)(H)	C(CCH)(COO)(H)	C(CCH)(ORe)(O)	128.7250	0.000	1	128.7250	0.000	1	126.9937	17.614	484	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CCH)(COO)(H)	C(CCH)(OSn)(O)	C(CCH)(COO)(H)	C(CCH)(COO)(H)	C(CCH)(OSn)(O)	126.9850	2.119	4	126.9850	4.489	4	126.9937	17.614	484	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CCH)(COO)(H)	C(CCH)(OZn)(O)	C(CCH)(COO)(H)	C(CCH)(COO)(H)	C(CCH)(OZn)(O)	127.4363	2.732	6	127.4363	7.466	6	126.9937	17.614	484	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CC[5]H)(CCH)(H)	C(CCH)(OH)(O)	C(CCH)(COO)(H)	C(CC[5]H)(CCH)(H)	C(CCH)(OH)(O)	120.8810	0.000	1	120.8810	0.000	1	126.9937	17.614	484	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CC[6a]C)(CCH)(H)	C(CCH)(OC)(O)	C(CCH)(COO)(H)	C(CC[6a]C)(CCH)(H)	C(CCH)(OC)(O)	120.7880	0.454	2	120.7880	0.206	2	126.9937	17.614	484	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CC[6a]C[5])(CCH)(H)	C(CCH)(OC)(O)	C(CCH)(COO)(H)	C(CC[6a]C[5])(CCH)(H)	C(CCH)(OC)(O)	124.8980	0.000	1	124.8980	0.000	1	126.9937	17.614	484	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CC[6a]C[6])(CCH)(H)	C(CCH)(OC)(O)	C(CCH)(COO)(H)	C(CC[6a]C[6])(CCH)(H)	C(CCH)(OC)(O)	120.3310	0.000	1	120.3310	0.000	1	126.9937	17.614	484	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CN[5]O)(CCH)(H)	C(CCH)(OH)(O)	C(CCH)(COO)(H)	C(CN[5]O)(CCH)(H)	C(CCH)(OH)(O)	130.2428	4.881	4	130.2428	23.826	4	126.9937	17.614	484	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:S-2:H-1:	C(CCH)(CHS)(H)	C(CCH)(CHH)(H)	C(CCH)(SCo)(H)	C(CCH)(CHS)(H)	C(CCH)(CHH)(H)	C(CCH)(SCo)(H)	125.8800	0.000	1	125.8800	0.000	1	126.5973	0.756	3	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:S-2:H-1:	C(CCH)(CHS)(H)	C(CPtC)(CCH)(H)	C(CCH)(SPt)(H)	C(CCH)(CHS)(H)	C(CPtC)(CCH)(H)	C(CCH)(SPt)(H)	126.3480	0.000	1	126.3480	0.000	1	126.5973	0.756	3	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:S-2:H-1:	C(CCH)(CHS)(H)	C(CPtO)(CCH)(H)	C(CCH)(SPt)(H)	C(CCH)(CHS)(H)	C(CPtO)(CCH)(H)	C(CCH)(SPt)(H)	127.5640	0.000	1	127.5640	0.000	1	126.5973	0.756	3	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:N-3:H-1:	C-3:O-2:O-1:	C(CHN)(COO)(H)	C(CCH)(NCC)(H)	C(CCH)(OC)(O)	C(CHN)(COO)(H)	C(CCH)(NCC)(H)	C(CCH)(OC)(O)	116.0840	0.000	1	116.0840	0.000	1	119.7193	11.530	3	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:N-3:H-1:	C-3:O-2:O-1:	C(CHN)(COO)(H)	C(CCH)(NCH)(H)	C(CCH)(OC)(O)	C(CHN)(COO)(H)	C(CCH)(NCH)(H)	C(CCH)(OC)(O)	122.8090	0.000	1	122.8090	0.000	1	119.7193	11.530	3	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:N-3:H-1:	C-3:O-2:O-1:	C(CHN)(COO)(H)	C(CCH)(NCS)(H)	C(CCH)(OC)(O)	C(CHN)(COO)(H)	C(CCH)(NCS)(H)	C(CCH)(OC)(O)	120.2650	0.000	1	120.2650	0.000	1	119.7193	11.530	3	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C-3:S-3:H-1:	C-3:O-2:O-1:	C(CHS)(COO)(H)	C(CCH)(SCO)(H)	C(CCH)(OH)(O)	C(CHS)(COO)(H)	C(CCH)(SCO)(H)	C(CCH)(OH)(O)	120.7530	1.127	2	120.7530	1.270	2	120.7530	1.270	2	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[5,6]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5,6]H)(COO)(H)	C(C[5,6]C[5,5,6]C[5,6])(CCH)(H)	C(CCH)(OC)(O)	C(CC[5,6]H)(COO)(H)	C(C[5,6]C[5,5,6]C[5,6])(CCH)(H)	C(CCH)(OC)(O)	119.7040	0.000	1	119.7040	0.000	1	119.7040	0.000	1	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5]H)(COO)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCH)(OC)(O)	C(CC[5]H)(COO)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCH)(OC)(O)	122.2910	3.466	3	122.2910	12.010	3	122.2910	12.010	3	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:N-2:H-1:	C(CC[5a]H)(CHN)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	C(CCH)(NO)(H)	C(CC[5a]H)(CHN)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	C(CCH)(NO)(H)	119.9240	0.000	1	119.9240	0.000	1	119.9240	0.000	1	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	C(CCH)(OC)(O)	C(CC[5a]H)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	C(CCH)(OC)(O)	120.1783	1.009	3	120.1783	1.018	3	121.9512	7.192	24	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(COO)(H)	C(C[5a]C[5a]2)(CCH)(H)	C(CCH)(OC)(O)	C(CC[5a]H)(COO)(H)	C(C[5a]C[5a]2)(CCH)(H)	C(CCH)(OC)(O)	123.1105	2.754	2	123.1105	7.586	2	121.9512	7.192	24	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(COO)(H)	C(C[5a]C[5a]2)(CCH)(H)	C(CCH)(OH)(O)	C(CC[5a]H)(COO)(H)	C(C[5a]C[5a]2)(CCH)(H)	C(CCH)(OH)(O)	123.0615	2.607	2	123.0615	6.797	2	121.9512	7.192	24	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(COO)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CCH)(OC)(O)	C(CC[5a]H)(COO)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CCH)(OC)(O)	121.6074	1.248	7	121.6074	1.557	7	121.9512	7.192	24	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(COO)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CCH)(OC)(O)	C(CC[5a]H)(COO)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CCH)(OC)(O)	120.7970	3.058	4	120.7970	9.352	4	121.9512	7.192	24	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(COO)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CCH)(OH)(O)	C(CC[5a]H)(COO)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CCH)(OH)(O)	119.1490	0.000	1	119.1490	0.000	1	121.9512	7.192	24	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(COO)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CCH)(OC)(O)	C(CC[5a]H)(COO)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CCH)(OC)(O)	123.6540	0.000	1	123.6540	0.000	1	121.9512	7.192	24	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(COO)(H)	C(C[5a]N[5a,6a]C[5a])(CCH)(H)	C(CCH)(OC)(O)	C(CC[5a]H)(COO)(H)	C(C[5a]N[5a,6a]C[5a])(CCH)(H)	C(CCH)(OC)(O)	119.2600	0.000	1	119.2600	0.000	1	121.9512	7.192	24	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(COO)(H)	C(C[5a]N[5a]2)(CCH)(H)	C(CCH)(OC)(O)	C(CC[5a]H)(COO)(H)	C(C[5a]N[5a]2)(CCH)(H)	C(CCH)(OC)(O)	121.4900	0.000	1	121.4900	0.000	1	121.9512	7.192	24	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(COO)(H)	C(C[5a]N[5a]O[5a])(CCH)(H)	C(CCH)(OH)(O)	C(CC[5a]H)(COO)(H)	C(C[5a]N[5a]O[5a])(CCH)(H)	C(CCH)(OH)(O)	127.9780	0.042	2	127.9780	0.002	2	121.9512	7.192	24	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:S-2:S-1:	C(CC[5a]O)(CSS)(H)	C(C[5a]C[5a]O[5a])(CCH)(O)	C(CCH)(SC)(S)	C(CC[5a]O)(CSS)(H)	C(C[5a]C[5a]O[5a])(CCH)(O)	C(CCH)(SC)(S)	125.1570	0.000	1	125.1570	0.000	1	127.1375	7.845	2	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:S-2:S-1:	C(CC[5a]O)(CSS)(H)	C(C[5a]C[5a]S[5a])(CCH)(O)	C(CCH)(SC)(S)	C(CC[5a]O)(CSS)(H)	C(C[5a]C[5a]S[5a])(CCH)(O)	C(CCH)(SC)(S)	129.1180	0.000	1	129.1180	0.000	1	127.1375	7.845	2	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[6,6]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6,6]H)(COO)(H)	C(C[6,6]C[3x6]C[6,6])(CCH)(H)	C(CCH)(OC)(O)	C(CC[6,6]H)(COO)(H)	C(C[6,6]C[3x6]C[6,6])(CCH)(H)	C(CCH)(OC)(O)	119.2290	0.000	1	119.2290	0.000	1	120.0120	0.813	3	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[6,6]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6,6]H)(COO)(H)	C(C[6,6]C[5,3x6]C[6,6])(CCH)(H)	C(CCH)(OC)(O)	C(CC[6,6]H)(COO)(H)	C(C[6,6]C[5,3x6]C[6,6])(CCH)(H)	C(CCH)(OC)(O)	120.4035	0.841	2	120.4035	0.707	2	120.0120	0.813	3	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6]H)(COO)(H)	C(C[6]C[6]2)(CCH)(H)	C(CCH)(OC)(O)	C(CC[6]H)(COO)(H)	C(C[6]C[6]2)(CCH)(H)	C(CCH)(OC)(O)	121.8690	0.000	1	121.8690	0.000	1	120.9856	1.995	9	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6]H)(COO)(H)	C(C[6]C[6]2)(CCH)(H)	C(CCH)(OH)(O)	C(CC[6]H)(COO)(H)	C(C[6]C[6]2)(CCH)(H)	C(CCH)(OH)(O)	120.8751	1.468	8	120.8751	2.155	8	120.9856	1.995	9	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:N-2:H-1:	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(NC)(H)	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(NC)(H)	122.0202	1.247	9	122.0202	1.556	9	121.9678	7.400	37	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:N-2:H-1:	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(NN)(H)	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(NN)(H)	122.0496	3.162	26	122.0496	9.997	26	121.9678	7.400	37	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:N-2:H-1:	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(NO)(H)	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(NO)(H)	120.6695	0.680	2	120.6695	0.462	2	121.9678	7.400	37	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:N-2:O-1:	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(NC)(O)	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(NC)(O)	122.4130	0.000	1	122.4130	0.000	1	122.0840	0.216	2	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:N-2:O-1:	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(NH)(O)	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(NH)(O)	121.7550	0.000	1	121.7550	0.000	1	122.0840	0.216	2	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:O-2:H-1:	C(CC[6a]H)(CHO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(OAl)(H)	C(CC[6a]H)(CHO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(OAl)(H)	123.8013	3.495	3	123.8013	12.218	3	122.6418	13.524	4	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:O-2:H-1:	C(CC[6a]H)(CHO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(OB)(H)	C(CC[6a]H)(CHO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(OB)(H)	119.1630	0.000	1	119.1630	0.000	1	122.6418	13.524	4	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(COO)(H)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C(CCH)(OC)(O)	C(CC[6a]H)(COO)(H)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C(CCH)(OC)(O)	121.9651	0.821	7	121.9651	0.674	7	122.3453	3.552	239	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(COO)(H)	C(C[6a]C[5a,6a]C[6a])(CCH)(H)	C(CCH)(OC)(O)	C(CC[6a]H)(COO)(H)	C(C[6a]C[5a,6a]C[6a])(CCH)(H)	C(CCH)(OC)(O)	126.3630	0.000	1	126.3630	0.000	1	122.3453	3.552	239	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(COO)(H)	C(C[6a]C[6,6a]C[6a])(CCH)(H)	C(CCH)(OC)(O)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6,6a]C[6a])(CCH)(H)	C(CCH)(OC)(O)	125.6060	0.000	1	125.6060	0.000	1	122.3453	3.552	239	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a,6a]2)(CCH)(H)	C(CCH)(OC)(O)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a,6a]2)(CCH)(H)	C(CCH)(OC)(O)	120.7692	0.929	4	120.7692	0.863	4	122.3453	3.552	239	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(CCH)(OC)(O)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(CCH)(OC)(O)	121.2032	1.760	8	121.2032	3.099	8	122.3453	3.552	239	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(OC)(O)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(OC)(O)	121.8084	1.910	90	121.8084	3.648	90	122.3453	3.552	239	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(OCu)(O)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(OCu)(O)	121.3820	0.000	1	121.3820	0.000	1	122.3453	3.552	239	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(OH)(O)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(OH)(O)	122.7387	1.775	118	122.7387	3.152	118	122.3453	3.552	239	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(OMn)(O)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(OMn)(O)	125.3980	0.000	1	125.3980	0.000	1	122.3453	3.552	239	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(ON)(O)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(ON)(O)	124.0740	1.877	2	124.0740	3.522	2	122.3453	3.552	239	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(ONi)(O)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(ONi)(O)	124.6580	0.000	1	124.6580	0.000	1	122.3453	3.552	239	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(OPt)(O)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(OPt)(O)	122.9355	0.750	2	122.9355	0.563	2	122.3453	3.552	239	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(OZn)(O)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(OZn)(O)	123.5723	0.435	3	123.5723	0.189	3	122.3453	3.552	239	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:C-2:H-1:	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCH)(CC)(H)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCH)(CC)(H)	121.1160	0.462	4	121.1160	0.213	4	120.4094	0.967	7	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:C-2:H-1:	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCH)(CN)(H)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCH)(CN)(H)	119.4730	0.000	1	119.4730	0.000	1	120.4094	0.967	7	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:C-2:H-1:	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]N[6a])(CCH)(O)	C(CCH)(CC)(H)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]N[6a])(CCH)(O)	C(CCH)(CC)(H)	119.4645	0.708	2	119.4645	0.501	2	120.4094	0.967	7	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:S-2:S-1:	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a,6a]2)(CCH)(O)	C(CCH)(SC)(S)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a,6a]2)(CCH)(O)	C(CCH)(SC)(S)	127.8550	0.324	2	127.8550	0.105	2	127.1162	3.743	10	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:S-2:S-1:	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCH)(SC)(S)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCH)(SC)(S)	126.9315	2.145	8	126.9315	4.602	8	127.1162	3.743	10	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:S-1:	C-3:N-2:S-1:	C(CC[6a]S)(CNS)(H)	C(C[6a]C[6a]2)(CCH)(S)	C(CCH)(NC)(S)	C(CC[6a]S)(CNS)(H)	C(C[6a]C[6a]2)(CCH)(S)	C(CCH)(NC)(S)	121.5510	0.000	1	121.5510	0.000	1	121.5510	0.000	1	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:N-2:H-1:	C(CHN)2(H)	C(NC[6a]S)(CCH)(H)	C(CCH)(NS)(H)	C(CHN)2(H)	C(NC[6a]S)(CCH)(H)	C(CCH)(NS)(H)	119.3100	0.000	1	119.3100	0.000	1	119.3100	0.000	1	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	N[5]-3:C-3:H-1:	C-3:O-2:O-1:	C(CN[5]H)(COO)(H)	C(N[5]C[5,6a]C[5,5])(CCH)(H)	C(CCH)(OC)(O)	C(CN[5]H)(COO)(H)	C(N[5]C[5,6a]C[5,5])(CCH)(H)	C(CCH)(OC)(O)	118.3402	1.639	4	118.3402	2.685	4	120.2204	5.607	14	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	N[5]-3:C-3:H-1:	C-3:O-2:O-1:	C(CN[5]H)(COO)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)	C(CCH)(OC)(O)	C(CN[5]H)(COO)(H)	C(N[5]C[5,6a]C[5])(CCH)(H)	C(CCH)(OC)(O)	120.6570	1.786	2	120.6570	3.190	2	120.2204	5.607	14	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	N[5]-3:C-3:H-1:	C-3:O-2:O-1:	C(CN[5]H)(COO)(H)	C(N[5]C[5]2)(CCH)(H)	C(CCH)(OC)(O)	C(CN[5]H)(COO)(H)	C(N[5]C[5]2)(CCH)(H)	C(CCH)(OC)(O)	121.2684	2.548	7	121.2684	6.492	7	120.2204	5.607	14	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	N[5]-3:C-3:H-1:	C-3:O-2:O-1:	C(CN[5]H)(COO)(H)	C(N[5]C[5]2)(CCH)(H)	C(CCH)(OH)(O)	C(CN[5]H)(COO)(H)	C(N[5]C[5]2)(CCH)(H)	C(CCH)(OH)(O)	119.5310	0.000	1	119.5310	0.000	1	120.2204	5.607	14	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	N[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CN[5a]H)(COO)(H)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)	C(CCH)(OC)(O)	C(CN[5a]H)(COO)(H)	C(N[5a]C[5a,6a]C[5a])(CCH)(H)	C(CCH)(OC)(O)	120.4105	0.380	2	120.4105	0.144	2	120.4105	0.144	2	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:H-1:	N[6]-3:C-3:H-1:	C-3:O-2:O-1:	C(CN[6]H)(COO)(H)	C(N[6]C[6,6a]C[6])(CCH)(H)	C(CCH)(OC)(O)	C(CN[6]H)(COO)(H)	C(N[6]C[6,6a]C[6])(CCH)(H)	C(CCH)(OC)(O)	120.3960	0.000	1	120.3960	0.000	1	120.3960	0.000	1	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:I-1:	C[6a]-3:C-3:I-1:	C-3:O-2:O-1:	C(CC[6a]I)(COO)(I)	C(C[6a]C[6a]2)(CCI)(I)	C(CCI)(OC)(O)	C(CC[6a]I)(COO)(I)	C(C[6a]C[6a]2)(CCI)(I)	C(CCI)(OC)(O)	124.2670	0.000	1	124.2670	0.000	1	124.2670	0.000	1	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:O-1:	C-3:C-3:H-1:	C-3:C-2:H-1:	C(CCH)2(O)	C(CCH)(CCO)(H)	C(CCO)(CH)(H)	C(CCH)2(O)	C(CCH)(CCO)(H)	C(CCO)(CH)(H)	135.4660	0.000	1	135.4660	0.000	1	135.4660	0.000	1	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:O-1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(O)	C(CC[6a]H)(CCO)(H)	C(CCO)(OC)(O)	C(CCH)(COO)(O)	C(CC[6a]H)(CCO)(H)	C(CCO)(OC)(O)	115.3290	0.000	1	115.3290	0.000	1	115.0760	2.842	3	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:O-1:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(O)	C(CC[6a]O)(CCO)(H)	C(CCO)(OC)(O)	C(CCH)(COO)(O)	C(CC[6a]O)(CCO)(H)	C(CCO)(OC)(O)	114.9495	2.364	2	114.9495	5.588	2	115.0760	2.842	3	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:O-1:	C-3:N-3:O-1:	C-3:N-2:H-1:	C(CHN)(CNO)(O)	C(CCO)(NCH)(O)	C(CCO)(NN)(H)	C(CHN)(CNO)(O)	C(CCO)(NCH)(O)	C(CCO)(NN)(H)	113.9050	0.000	1	113.9050	0.000	1	113.9050	0.000	1	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:O-1:	C[5]-3:C-3:H-1:	C-3:N-2:H-1:	C(CC[5]H)(CHN)(O)	C(C[5]S[5]2)(CCO)(H)	C(CCO)(NN)(H)	C(CC[5]H)(CHN)(O)	C(C[5]S[5]2)(CCO)(H)	C(CCO)(NN)(H)	119.2310	0.000	1	119.2310	0.000	1	119.2310	0.000	1	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:1:	C-3:C-3:O-1:	C[6]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6]H)(COO)(O)	C(C[6]C[6]N[6])(CCO)(H)	C(CCO)(OC)(O)	C(CC[6]H)(COO)(O)	C(C[6]C[6]N[6])(CCO)(H)	C(CCO)(OC)(O)	118.7285	0.672	2	118.7285	0.452	2	118.7285	0.452	2	124.8773	18.330	879	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:2:	C-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:N-2:O-2:	C(CBrC)(CNO)(H)	C(CC[6a]O)(CCH)(Br)	C(CCH)(NS)(OC)	C(CBrC)(CNO)(H)	C(CC[6a]O)(CCH)(Br)	C(CCH)(NS)(OC)	123.4950	0.000	1	123.4950	0.000	1	123.4950	0.000	1	124.2395	3.612	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-2:C-2:	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	C(CCH)(CN)2	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	C(CCH)(CN)2	123.6070	0.000	1	123.6070	0.000	1	125.9260	2.406	4	124.2395	3.612	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-2:C-2:	C(CCC)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(CCH)(CN)2	C(CCC)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(CCH)(CN)2	126.6990	0.153	3	126.6990	0.023	3	125.9260	2.406	4	124.2395	3.612	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:2:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:S-2:S-2:	C(CC[5a]O)(CSS)(H)	C(C[5a]N[5a,6a]C[5a])(CCH)(O)	C(CCH)(SC)2	C(CC[5a]O)(CSS)(H)	C(C[5a]N[5a,6a]C[5a])(CCH)(O)	C(CCH)(SC)2	124.1260	0.000	1	124.1260	0.000	1	124.1260	0.000	1	124.2395	3.612	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:2:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-2:C-2:	C(CC[6a]H)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(CN)2	C(CC[6a]H)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(CN)2	126.4590	0.181	2	126.4590	0.033	2	126.4590	0.033	2	124.2395	3.612	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:2:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:O-2:N-2:	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(ONi)(NC)	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(ONi)(NC)	124.2510	0.000	1	124.2510	0.000	1	122.8573	2.418	3	124.2395	3.612	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:2:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:O-2:N-2:	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(OZn)(NC)	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(OZn)(NC)	122.1605	1.387	2	122.1605	1.923	2	122.8573	2.418	3	124.2395	3.612	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:2:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:O-2:O-2:	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(OB)(OC)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(OB)(OC)	120.9720	0.000	1	120.9720	0.000	1	123.2836	4.616	5	124.2395	3.612	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:2:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:O-2:O-2:	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(OCu)2	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(OCu)2	126.6030	0.000	1	126.6030	0.000	1	123.2836	4.616	5	124.2395	3.612	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:2:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:O-2:O-2:	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(OFe)2	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(OFe)2	123.7520	0.000	1	123.7520	0.000	1	123.2836	4.616	5	124.2395	3.612	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:2:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:O-2:O-2:	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(OGa)(OC)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(OGa)(OC)	121.9160	0.000	1	121.9160	0.000	1	123.2836	4.616	5	124.2395	3.612	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:2:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:O-2:O-2:	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(OMn)(ONi)	C(CC[6a]H)(COO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(OMn)(ONi)	123.1750	0.000	1	123.1750	0.000	1	123.2836	4.616	5	124.2395	3.612	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:S-2:S-2:	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(O)	C(CCH)(SC)2	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(O)	C(CCH)(SC)2	122.9240	0.000	1	122.9240	0.000	1	123.7723	0.858	3	124.2395	3.612	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:2:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:S-2:S-2:	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCH)(SC)2	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCH)(SC)2	124.1965	0.798	2	124.1965	0.637	2	123.7723	0.858	3	124.2395	3.612	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:Br-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(Br)	C(CBrC)2(H)	C(CBrC)2(H)	C(CCH)2(Br)	C(CBrC)2(H)	C(CBrC)2(H)	128.8640	0.299	3	128.8640	0.089	3	126.8133	6.456	6	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:Br-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(Br)	C(CC[5]H)(CBrC)(H)	C(CC[5]H)(CBrC)(H)	C(CCH)2(Br)	C(CC[5]H)(CBrC)(H)	C(CC[5]H)(CBrC)(H)	126.7170	0.000	1	126.7170	0.000	1	126.8133	6.456	6	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:Br-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(Br)	C(CC[6a]H)(CBrC)(H)	C(CBrC)(CCH)(H)	C(CCH)2(Br)	C(CC[6a]H)(CBrC)(H)	C(CBrC)(CCH)(H)	123.7855	1.068	2	123.7855	1.142	2	126.8133	6.456	6	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:Br-1:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(CCH)(CCO)(Br)	C(CBrC)(CCH)(H)	C(CBrC)(CCO)(O)	C(CCH)(CCO)(Br)	C(CBrC)(CCH)(H)	C(CBrC)(CCO)(O)	131.5130	0.000	1	131.5130	0.000	1	131.4993	0.616	3	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:Br-1:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(CCH)(CCO)(Br)	C(CBrC)(CCH)(H)	C(CBrC)2(O)	C(CCH)(CCO)(Br)	C(CBrC)(CCH)(H)	C(CBrC)2(O)	132.2770	0.000	1	132.2770	0.000	1	131.4993	0.616	3	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:Br-1:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(CCH)(CCO)(Br)	C(CC[6]C)(CBrC)(H)	C(CBrC)(CCH)(O)	C(CCH)(CCO)(Br)	C(CC[6]C)(CBrC)(H)	C(CBrC)(CCH)(O)	130.7080	0.000	1	130.7080	0.000	1	131.4993	0.616	3	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:Br-1:	C-3:C-3:O-1:	C-3:C-3:H-1:	C(CCH)(CCO)(Br)	C(CC[6]C)(CBrC)(O)	C(CBrC)(CCH)(H)	C(CCH)(CCO)(Br)	C(CC[6]C)(CBrC)(O)	C(CBrC)(CCH)(H)	131.3867	0.963	3	131.3867	0.927	3	131.3660	0.619	4	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:Br-1:	C-3:C-3:O-1:	C-3:C-3:H-1:	C(CCH)(CCO)(Br)	C(CC[6a]C)(CBrC)(O)	C(CBrC)(CCH)(H)	C(CCH)(CCO)(Br)	C(CC[6a]C)(CBrC)(O)	C(CBrC)(CCH)(H)	131.3040	0.000	1	131.3040	0.000	1	131.3660	0.619	4	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:Br-1:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(Br)	C(C[5]C[5]2)(CBrC)(H)	C(CBrC)(CCH)(H)	C(CC[5]H)(CCH)(Br)	C(C[5]C[5]2)(CBrC)(H)	C(CBrC)(CCH)(H)	128.8930	0.000	1	128.8930	0.000	1	128.8930	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:Br-1:	C[5a]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[5a]O)(CC[6a]H)(Br)	C(C[5a]C[5a]N[5a])(CBrC)(O)	C(C[6a]C[6a]2)(CBrC)(H)	C(CC[5a]O)(CC[6a]H)(Br)	C(C[5a]C[5a]N[5a])(CBrC)(O)	C(C[6a]C[6a]2)(CBrC)(H)	122.0830	0.000	1	122.0830	0.000	1	122.0830	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:Br-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCH)(Br)	C(C[6a]C[6a]2)(CBrC)(H)	C(CBrC)(CCH)(H)	C(CC[6a]H)(CCH)(Br)	C(C[6a]C[6a]2)(CBrC)(H)	C(CBrC)(CCH)(H)	123.0370	0.000	1	123.0370	0.000	1	122.8997	0.377	3	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:Br-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCH)(Br)	C(C[6a]C[6a]2)(CBrC)(H)	C(CC[6a]H)(CBrC)(H)	C(CC[6a]H)(CCH)(Br)	C(C[6a]C[6a]2)(CBrC)(H)	C(CC[6a]H)(CBrC)(H)	122.8310	0.851	2	122.8310	0.725	2	122.8997	0.377	3	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:Br-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(CC[6a]H)(CC[6a]O)(Br)	C(C[6a]C[6a]2)(CBrC)(H)	C(C[6a]C[6a]2)(CBrC)(O)	C(CC[6a]H)(CC[6a]O)(Br)	C(C[6a]C[6a]2)(CBrC)(H)	C(C[6a]C[6a]2)(CBrC)(O)	122.5734	0.967	8	122.5734	0.935	8	122.5734	0.935	8	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:Br-1:	C[6a]-3:C-3:H-1:	N[5]-3:C-3:O-1:	C(CC[6a]H)(CN[5]O)(Br)	C(C[6a]C[6a]2)(CBrC)(H)	C(N[5]C[5]2)(CBrC)(O)	C(CC[6a]H)(CN[5]O)(Br)	C(C[6a]C[6a]2)(CBrC)(H)	C(N[5]C[5]2)(CBrC)(O)	122.2310	0.000	1	122.2310	0.000	1	122.2310	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:Br-1:	C[6a]-3:C-3:O-1:	C-3:C-3:H-1:	C(CC[6a]O)(CCH)(Br)	C(C[6a]C[6a]2)(CBrC)(O)	C(CBrC)(CNO)(H)	C(CC[6a]O)(CCH)(Br)	C(C[6a]C[6a]2)(CBrC)(O)	C(CBrC)(CNO)(H)	129.8950	0.000	1	129.8950	0.000	1	129.8950	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:Br-1:	N-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)(CHN)(Br)	C(NC[6a]S)(CBrC)(H)	C(CBrC)(CHH)(H)	C(CCH)(CHN)(Br)	C(NC[6a]S)(CBrC)(H)	C(CBrC)(CHH)(H)	131.0930	0.000	1	131.0930	0.000	1	131.0930	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:Br-1:	N-3:C-3:O-1:	C-3:C-3:Br-1:	C(CBrC)(CNO)(Br)	C(NC[6a]C)(CBrC)(O)	C(CBrC)(CNO)(Br)	C(CBrC)(CNO)(Br)	C(NC[6a]C)(CBrC)(O)	C(CBrC)(CNO)(Br)	125.8530	0.000	1	125.8530	0.000	1	125.8530	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:Br-1:	N[5]-3:C-3:O-1:	C-3:C-3:H-1:	C(CN[5]O)(CCH)(Br)	C(N[5]C[5,6a]C[5])(CBrC)(O)	C(CBrC)(CCO)(H)	C(CN[5]O)(CCH)(Br)	C(N[5]C[5,6a]C[5])(CBrC)(O)	C(CBrC)(CCO)(H)	127.0240	0.000	1	127.0240	0.000	1	127.0240	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:Cl-1:	C-3:C-3:Cl-1:	C-3:C-3:Cl-1:	C(CClC)2(Cl)	C(CClC)(CCH)(Cl)	C(CClC)(CCO)(Cl)	C(CClC)2(Cl)	C(CClC)(CCH)(Cl)	C(CClC)(CCO)(Cl)	124.8905	0.325	2	124.8905	0.105	2	124.8905	0.105	2	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:Cl-1:	C-3:C-3:H-1:	C-3:C-3:Cl-1:	C(CClC)(CCH)(Cl)	C(CClC)(CCO)(H)	C(CClC)2(Cl)	C(CClC)(CCH)(Cl)	C(CClC)(CCO)(H)	C(CClC)2(Cl)	129.1260	0.269	2	129.1260	0.072	2	129.1260	0.072	2	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:Cl-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(Cl)	C(CC[5]H)(CClC)(H)	C(CC[5]H)(CClC)(H)	C(CCH)2(Cl)	C(CC[5]H)(CClC)(H)	C(CC[5]H)(CClC)(H)	128.6343	1.527	3	128.6343	2.331	3	128.6343	2.331	3	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:Cl-1:	C-3:C-3:O-1:	C-3:C-3:Cl-1:	C(CClC)(CCO)(Cl)	C(CClC)(CCC)(O)	C(CClC)2(Cl)	C(CClC)(CCO)(Cl)	C(CClC)(CCC)(O)	C(CClC)2(Cl)	129.2270	0.523	2	129.2270	0.274	2	129.2270	0.274	2	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:Cl-1:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(CC[5a]H)(CC[6a]O)(Cl)	C(C[5a]C[5a]O[5a])(CClC)(H)	C(C[6a]C[6a]2)(CClC)(O)	C(CC[5a]H)(CC[6a]O)(Cl)	C(C[5a]C[5a]O[5a])(CClC)(H)	C(C[6a]C[6a]2)(CClC)(O)	126.2040	3.700	2	126.2040	13.687	2	126.2040	13.687	2	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:Cl-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(CC[6a]H)(CC[6a]O)(Cl)	C(C[6a]C[6a]2)(CClC)(H)	C(C[6a]C[6a]2)(CClC)(O)	C(CC[6a]H)(CC[6a]O)(Cl)	C(C[6a]C[6a]2)(CClC)(H)	C(C[6a]C[6a]2)(CClC)(O)	124.6770	2.775	3	124.6770	7.703	3	124.6770	7.703	3	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:Cl-1:	C[6a]-3:C-3:O-1:	C-3:C-3:Cl-1:	C(CC[6a]O)(CClC)(Cl)	C(C[6a]C[6a]2)(CClC)(O)	C(CC[6a]O)(CClC)(Cl)	C(CC[6a]O)(CClC)(Cl)	C(C[6a]C[6a]2)(CClC)(O)	C(CC[6a]O)(CClC)(Cl)	123.1497	3.531	4	123.1497	12.465	4	123.1497	12.465	4	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:F-1:	C-3:C-3:F-1:	C-3:C-3:F-1:	C(CCF)2(F)	C(CC[5a]F)(CCF)(F)	C(CCF)2(F)	C(CCF)2(F)	C(CC[5a]F)(CCF)(F)	C(CCF)2(F)	125.7810	0.000	1	125.7810	0.000	1	126.7678	4.227	4	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:F-1:	C-3:C-3:F-1:	C-3:C-3:F-1:	C(CCF)2(F)	C(CC[6a]F)(CCF)(F)	C(CCF)2(F)	C(CCF)2(F)	C(CC[6a]F)(CCF)(F)	C(CCF)2(F)	128.4740	0.021	2	128.4740	0.000	2	126.7678	4.227	4	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:F-1:	C-3:C-3:F-1:	C-3:C-3:F-1:	C(CCF)2(F)	C(CN[5a]F)(CCF)(F)	C(CCF)2(F)	C(CCF)2(F)	C(CN[5a]F)(CCF)(F)	C(CCF)2(F)	124.3420	0.000	1	124.3420	0.000	1	126.7678	4.227	4	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:F-1:	C-3:C-3:F-1:	C-3:C-3:H-1:	C(CCF)(CCH)(F)	C(CCF)(CCH)(F)	C(CCF)(CCO)(H)	C(CCF)(CCH)(F)	C(CCF)(CCH)(F)	C(CCF)(CCO)(H)	124.0150	0.500	4	124.0150	0.250	4	124.0150	0.250	4	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:F-1:	C[5a]-3:C-3:F-1:	C-3:C-3:F-1:	C(CC[5a]F)(CCF)(F)	C(C[5a]C[5a]N[5a])(CCF)(F)	C(CCF)2(F)	C(CC[5a]F)(CCF)(F)	C(C[5a]C[5a]N[5a])(CCF)(F)	C(CCF)2(F)	126.4860	0.000	1	126.4860	0.000	1	126.4860	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:F-1:	C[6a]-3:C-3:F-1:	C-3:C-3:F-1:	C(CC[6a]F)(CCF)(F)	C(C[6a]C[6a]2)(CCF)(F)	C(CCF)2(F)	C(CC[6a]F)(CCF)(F)	C(C[6a]C[6a]2)(CCF)(F)	C(CCF)2(F)	129.0550	0.242	2	129.0550	0.058	2	129.0550	0.058	2	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:F-1:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:O-1:	C(CC[6a]O)2(F)	C(C[6a]C[6a]2)(CCF)(O)	C(C[6a]C[6a]2)(CCF)(O)	C(CC[6a]O)2(F)	C(C[6a]C[6a]2)(CCF)(O)	C(C[6a]C[6a]2)(CCF)(O)	122.7865	0.675	2	122.7865	0.456	2	122.7865	0.456	2	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:F-1:	N[5a]-3:C-3:F-1:	C-3:C-3:F-1:	C(CN[5a]F)(CCF)(F)	C(N[5a]C[5a]2)(CCF)(F)	C(CCF)2(F)	C(CN[5a]F)(CCF)(F)	C(N[5a]C[5a]2)(CCF)(F)	C(CCF)2(F)	125.4530	0.000	1	125.4530	0.000	1	125.4530	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	B[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(CB[5]H)(CCH)(H)	C(B[5]O[5]2)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(CB[5]H)(CCH)(H)	C(B[5]O[5]2)(CCH)(H)	C(CC[6a]H)(CCH)(H)	126.3795	0.367	2	126.3795	0.135	2	126.3795	0.135	2	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:C-3:Br-1:	C(CBrC)2(H)	C(CCH)(CCO)(Br)	C(CCH)2(Br)	C(CBrC)2(H)	C(CCH)(CCO)(Br)	C(CCH)2(Br)	128.2752	0.404	5	128.2752	0.163	5	128.2162	0.151	6	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:C-3:Br-1:	C(CBrC)2(H)	C(CIrC)(CCH)(Br)	C(CIrH)(CCH)(Br)	C(CBrC)2(H)	C(CIrC)(CCH)(Br)	C(CIrH)(CCH)(Br)	127.9210	0.000	1	127.9210	0.000	1	128.2162	0.151	6	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:C-3:H-1:	C(CBrC)(CCH)(H)	C(CCH)(CCO)(Br)	C(CCC)(CCH)(H)	C(CBrC)(CCH)(H)	C(CCH)(CCO)(Br)	C(CCC)(CCH)(H)	129.5595	1.186	2	129.5595	1.406	2	128.6438	3.999	11	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:C-3:H-1:	C(CBrC)(CCH)(H)	C(CCH)(CCO)(Br)	C(CCH)2(H)	C(CBrC)(CCH)(H)	C(CCH)(CCO)(Br)	C(CCH)2(H)	129.8674	0.616	5	129.8674	0.379	5	128.6438	3.999	11	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:C-3:H-1:	C(CBrC)(CCH)(H)	C(CC[5]H)(CCH)(Br)	C(CC[5]H)(CCH)(H)	C(CBrC)(CCH)(H)	C(CC[5]H)(CCH)(Br)	C(CC[5]H)(CCH)(H)	124.9560	0.000	1	124.9560	0.000	1	128.6438	3.999	11	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:C-3:H-1:	C(CBrC)(CCH)(H)	C(CC[5]H)(CCH)(Br)	C(CC[5]O)(CCH)(H)	C(CBrC)(CCH)(H)	C(CC[5]H)(CCH)(Br)	C(CC[5]O)(CCH)(H)	129.2730	0.000	1	129.2730	0.000	1	128.6438	3.999	11	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:C-3:H-1:	C(CBrC)(CCH)(H)	C(CC[6a]H)(CCH)(Br)	C(CCH)(COO)(H)	C(CBrC)(CCH)(H)	C(CC[6a]H)(CCH)(Br)	C(CCH)(COO)(H)	127.1850	0.000	1	127.1850	0.000	1	128.6438	3.999	11	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:Br-1:	C-3:C-3:H-1:	C(CBrC)(CCH)(H)	C(CIrH)(CCH)(Br)	C(CIrC)(CCH)(H)	C(CBrC)(CCH)(H)	C(CIrH)(CCH)(Br)	C(CIrC)(CCH)(H)	125.2120	0.000	1	125.2120	0.000	1	128.6438	3.999	11	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:Cl-1:	C-3:C-3:H-1:	C(CClC)(CCH)(H)	C(CCH)(CCO)(Cl)	C(CCH)2(H)	C(CClC)(CCH)(H)	C(CCH)(CCO)(Cl)	C(CCH)2(H)	129.2235	0.224	2	129.2235	0.050	2	129.2235	0.050	2	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:Br-1:	C(CBrC)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(CCH)2(Br)	C(CBrC)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(CCH)2(Br)	128.6960	0.652	2	128.6960	0.425	2	128.6960	0.425	2	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CAlSi)(CCH)(H)	C(CAlSi)(CCH)(H)	C(CCH)2(H)	C(CAlSi)(CCH)(H)	C(CAlSi)(CCH)(H)	126.8360	0.000	1	126.8360	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CBiSi)(CCH)(H)	C(CBiSi)(CCH)(H)	C(CCH)2(H)	C(CBiSi)(CCH)(H)	C(CBiSi)(CCH)(H)	128.9590	0.000	1	128.9590	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CBrC)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CBrC)(CCH)(H)	C(CCH)2(H)	128.0474	0.148	5	128.0474	0.022	5	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	C(CCH)2(H)	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	122.5398	0.708	6	122.5398	0.501	6	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CCC)(CCH)(H)	C(CCH)(CCO)(H)	C(CCH)2(H)	C(CCC)(CCH)(H)	C(CCH)(CCO)(H)	129.9717	0.832	3	129.9717	0.692	3	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CCC)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CCC)(CCH)(H)	C(CCH)2(H)	127.4664	2.972	41	127.4664	8.832	41	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CCH)(CCI)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CCH)(CCI)(H)	C(CCH)2(H)	128.0490	0.000	1	128.0490	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CCH)(CCN)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CCH)(CCN)(H)	C(CCH)2(H)	130.3016	0.627	106	130.3016	0.393	106	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CCH)(CCO)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CCH)(CCO)(H)	C(CCH)2(H)	129.3571	1.084	91	129.3571	1.175	91	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CCH)(CCS)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CCH)(CCS)(H)	C(CCH)2(H)	129.0135	0.949	6	129.0135	0.901	6	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CCH)(CHH)(H)	C(CCH)(COO)(H)	C(CCH)2(H)	C(CCH)(CHH)(H)	C(CCH)(COO)(H)	124.2980	0.000	1	124.2980	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CCH)(CHH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CCH)(CHH)(H)	C(CCH)2(H)	108.5860	0.000	1	108.5860	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CCH)(CHN)(H)	C(CCH)(COO)(H)	C(CCH)2(H)	C(CCH)(CHN)(H)	C(CCH)(COO)(H)	122.8350	0.000	1	122.8350	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CCH)(CHO)(H)	C(CCH)(CHO)(H)	C(CCH)2(H)	C(CCH)(CHO)(H)	C(CCH)(CHO)(H)	131.0430	0.000	1	131.0430	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CCH)(CHO)(H)	C(CCH)(CHS)(H)	C(CCH)2(H)	C(CCH)(CHO)(H)	C(CCH)(CHS)(H)	124.8910	0.085	2	124.8910	0.007	2	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CCH)(CHS)(H)	C(CCH)(COO)(H)	C(CCH)2(H)	C(CCH)(CHS)(H)	C(CCH)(COO)(H)	125.5025	0.411	2	125.5025	0.169	2	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CCH)(CNO)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CCH)(CNO)(H)	C(CCH)2(H)	125.2455	0.820	4	125.2455	0.673	4	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CCH)(COO)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CCH)(COO)(H)	C(CCH)2(H)	125.0002	1.423	82	125.0002	2.024	82	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CCH)2(H)	C(CCH)2(H)	C(CCH)2(H)	C(CCH)2(H)	C(CCH)2(H)	128.5956	6.040	205	128.5956	36.486	205	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[3]H)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CC[3]H)(CCH)(H)	C(CCH)2(H)	128.4295	0.517	2	128.4295	0.267	2	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[4]H)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CC[4]H)(CCH)(H)	C(CCH)2(H)	127.2787	1.531	7	127.2787	2.345	7	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[5]C)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CC[5]C)(CCH)(H)	C(CCH)2(H)	127.4967	3.421	7	127.4967	11.705	7	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[5]C)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(CCH)2(H)	C(CC[5]C)(CCH)(H)	C(CC[5]H)(CCH)(H)	129.3100	0.000	1	129.3100	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[5]C)(CCH)(H)	C(CC[5]O)(CCH)(H)	C(CCH)2(H)	C(CC[5]C)(CCH)(H)	C(CC[5]O)(CCH)(H)	131.0270	0.000	1	131.0270	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[5]H)(CCH)(H)	C(CCH)(CCO)(H)	C(CCH)2(H)	C(CC[5]H)(CCH)(H)	C(CCH)(CCO)(H)	124.3870	0.000	1	124.3870	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[5]H)(CCH)(H)	C(CCH)(COO)(H)	C(CCH)2(H)	C(CC[5]H)(CCH)(H)	C(CCH)(COO)(H)	127.4760	0.000	1	127.4760	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[5]H)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CC[5]H)(CCH)(H)	C(CCH)2(H)	123.0959	0.914	7	123.0959	0.836	7	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[5]H)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(CCH)2(H)	C(CC[5]H)(CCH)(H)	C(CC[5]H)(CCH)(H)	127.6025	1.962	176	127.6025	3.851	176	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[5]H)(CCH)(H)	C(CC[5]O)(CCH)(H)	C(CCH)2(H)	C(CC[5]H)(CCH)(H)	C(CC[5]O)(CCH)(H)	130.2620	0.180	3	130.2620	0.032	3	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[5]O)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CC[5]O)(CCH)(H)	C(CCH)2(H)	124.3850	0.000	1	124.3850	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[5a]C)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CC[5a]C)(CCH)(H)	C(CCH)2(H)	126.2730	0.000	1	126.2730	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[5a]C[6a])(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CC[5a]C[6a])(CCH)(H)	C(CCH)2(H)	119.8590	0.440	2	119.8590	0.193	2	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[5a]H)(CCH)(H)	C(CCH)(COO)(H)	C(CCH)2(H)	C(CC[5a]H)(CCH)(H)	C(CCH)(COO)(H)	124.2515	0.001	2	124.2515	0.000	2	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[5a]H)(CCH)(H)	C(CC[5a]H)(CCH)(H)	C(CCH)2(H)	C(CC[5a]H)(CCH)(H)	C(CC[5a]H)(CCH)(H)	126.6264	1.611	23	126.6264	2.595	23	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[5a]H)(CCH)(H)	C(CC[5a]O)(CCH)(H)	C(CCH)2(H)	C(CC[5a]H)(CCH)(H)	C(CC[5a]O)(CCH)(H)	131.6530	0.000	1	131.6530	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[5a]H)(CCH)(H)	C(CC[6a]O)(CCH)(H)	C(CCH)2(H)	C(CC[5a]H)(CCH)(H)	C(CC[6a]O)(CCH)(H)	124.0100	0.000	1	124.0100	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[5a]O)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(CCH)2(H)	C(CC[5a]O)(CCH)(H)	C(CC[6a]H)(CCH)(H)	124.2135	0.135	2	124.2135	0.018	2	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6]C)(CCH)(H)	C(CCH)(CCO)(H)	C(CCH)2(H)	C(CC[6]C)(CCH)(H)	C(CCH)(CCO)(H)	131.0500	0.000	1	131.0500	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6]C)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CC[6]C)(CCH)(H)	C(CCH)2(H)	128.6975	0.715	4	128.6975	0.511	4	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6]H)(CCH)(H)	C(CCC)(CCH)(H)	C(CCH)2(H)	C(CC[6]H)(CCH)(H)	C(CCC)(CCH)(H)	122.5350	0.000	1	122.5350	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6]H)(CCH)(H)	C(CCH)(CCO)(H)	C(CCH)2(H)	C(CC[6]H)(CCH)(H)	C(CCH)(CCO)(H)	124.1660	0.000	1	124.1660	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6]H)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CC[6]H)(CCH)(H)	C(CCH)2(H)	124.6598	1.285	6	124.6598	1.650	6	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(CCH)2(H)	C(CC[6]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	125.2914	0.592	5	125.2914	0.351	5	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6a]2)(CCH)(H)	C(CCH)(COO)(H)	C(CCH)2(H)	C(CC[6a]2)(CCH)(H)	C(CCH)(COO)(H)	127.0900	0.000	1	127.0900	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6a]2)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CC[6a]2)(CCH)(H)	C(CCH)2(H)	125.5590	0.000	1	125.5590	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6a]2)(CCH)(H)	C(CC[6a]O)(CCH)(H)	C(CCH)2(H)	C(CC[6a]2)(CCH)(H)	C(CC[6a]O)(CCH)(H)	124.6560	0.000	1	124.6560	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6a]Br)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CC[6a]Br)(CCH)(H)	C(CCH)2(H)	125.6205	0.258	2	125.6205	0.067	2	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6a]C)(CCH)(H)	C(CCC)(CCH)(H)	C(CCH)2(H)	C(CC[6a]C)(CCH)(H)	C(CCC)(CCH)(H)	122.7930	0.639	2	122.7930	0.409	2	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6a]C)(CCH)(H)	C(CCH)(CCN)(H)	C(CCH)2(H)	C(CC[6a]C)(CCH)(H)	C(CCH)(CCN)(H)	132.1870	0.000	1	132.1870	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6a]C)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CC[6a]C)(CCH)(H)	C(CCH)2(H)	125.8255	2.737	2	125.8255	7.492	2	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6a]C[5])(CCH)(H)	C(CC[5]H)(CCH)(H)	C(CCH)2(H)	C(CC[6a]C[5])(CCH)(H)	C(CC[5]H)(CCH)(H)	129.1320	0.173	4	129.1320	0.030	4	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6a]H)(CCH)(H)	C(CCC)(CCH)(H)	C(CCH)2(H)	C(CC[6a]H)(CCH)(H)	C(CCC)(CCH)(H)	123.9930	0.000	1	123.9930	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6a]H)(CCH)(H)	C(CCH)(CCN)(H)	C(CCH)2(H)	C(CC[6a]H)(CCH)(H)	C(CCH)(CCN)(H)	121.0360	0.000	1	121.0360	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6a]H)(CCH)(H)	C(CCH)(CCO)(H)	C(CCH)2(H)	C(CC[6a]H)(CCH)(H)	C(CCH)(CCO)(H)	124.5435	0.250	2	124.5435	0.062	2	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6a]H)(CCH)(H)	C(CCH)(CHO)(H)	C(CCH)2(H)	C(CC[6a]H)(CCH)(H)	C(CCH)(CHO)(H)	125.1240	0.000	1	125.1240	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6a]H)(CCH)(H)	C(CCH)(CNO)(H)	C(CCH)2(H)	C(CC[6a]H)(CCH)(H)	C(CCH)(CNO)(H)	123.7030	0.000	1	123.7030	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6a]H)(CCH)(H)	C(CCH)(COO)(H)	C(CCH)2(H)	C(CC[6a]H)(CCH)(H)	C(CCH)(COO)(H)	123.6190	0.000	1	123.6190	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6a]H)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CC[6a]H)(CCH)(H)	C(CCH)2(H)	125.0357	1.316	60	125.0357	1.731	60	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6a]H)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(CCH)2(H)	C(CC[6a]H)(CCH)(H)	C(CC[5]H)(CCH)(H)	124.3155	2.583	4	124.3155	6.672	4	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6a]H)(CCH)(H)	C(CC[5]O)(CCH)(H)	C(CCH)2(H)	C(CC[6a]H)(CCH)(H)	C(CC[5]O)(CCH)(H)	125.7250	0.000	1	125.7250	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6a]H)(CCH)(H)	C(CC[6a]O)(CCH)(H)	C(CCH)2(H)	C(CC[6a]H)(CCH)(H)	C(CC[6a]O)(CCH)(H)	124.4370	0.899	4	124.4370	0.808	4	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6a]H)(CCH)(H)	C(CN[5]O)(CCH)(H)	C(CCH)2(H)	C(CC[6a]H)(CCH)(H)	C(CN[5]O)(CCH)(H)	123.3830	0.000	1	123.3830	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6a]H)(CCH)(H)	C(CN[5]Se)(CCH)(H)	C(CCH)2(H)	C(CC[6a]H)(CCH)(H)	C(CN[5]Se)(CCH)(H)	124.1595	0.610	2	124.1595	0.372	2	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6a]H)(CCH)(H)	C(CN[6]O)(CCH)(H)	C(CCH)2(H)	C(CC[6a]H)(CCH)(H)	C(CN[6]O)(CCH)(H)	124.3763	1.180	7	124.3763	1.393	7	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6a]O)(CCH)(H)	C(CC[6a]O)(CCH)(H)	C(CCH)2(H)	C(CC[6a]O)(CCH)(H)	C(CC[6a]O)(CCH)(H)	123.0935	1.986	2	123.0935	3.945	2	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6a]O)(CCH)(H)	C(CC[6a]S)(CCH)(H)	C(CCH)2(H)	C(CC[6a]O)(CCH)(H)	C(CC[6a]S)(CCH)(H)	124.4790	0.000	1	124.4790	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CClC)(CCH)(H)	C(CClC)(CCH)(H)	C(CCH)2(H)	C(CClC)(CCH)(H)	C(CClC)(CCH)(H)	128.0340	0.000	1	128.0340	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CIrC)(CCH)(H)	C(CIrH)(CCH)(H)	C(CCH)2(H)	C(CIrC)(CCH)(H)	C(CIrH)(CCH)(H)	126.3890	0.344	3	126.3890	0.119	3	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CIrH)(CCH)(H)	C(CIrS)(CCH)(H)	C(CCH)2(H)	C(CIrH)(CCH)(H)	C(CIrS)(CCH)(H)	127.1750	0.000	1	127.1750	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CN[5]C)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CN[5]C)(CCH)(H)	C(CCH)2(H)	129.3310	1.061	3	129.3310	1.125	3	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CN[5]H)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CN[5]H)(CCH)(H)	C(CCH)2(H)	126.4240	0.000	1	126.4240	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CN[6]C)(CCH)(H)	C(CCC)(CCH)(H)	C(CCH)2(H)	C(CN[6]C)(CCH)(H)	C(CCC)(CCH)(H)	132.5905	0.070	2	132.5905	0.005	2	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CN[6]C)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CN[6]C)(CCH)(H)	C(CCH)2(H)	130.9470	0.638	6	130.9470	0.408	6	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(COsH)(CCH)(H)	C(COsS)(CCH)(H)	C(CCH)2(H)	C(COsH)(CCH)(H)	C(COsS)(CCH)(H)	127.6870	0.734	3	127.6870	0.539	3	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CPdC)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CPdC)(CCH)(H)	C(CCH)2(H)	129.6509	0.315	7	129.6509	0.099	7	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CRuH)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CRuH)(CCH)(H)	C(CCH)2(H)	124.6670	0.000	1	124.6670	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CSnH)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CSnH)(CCH)(H)	C(CCH)2(H)	125.6165	0.093	2	125.6165	0.009	2	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CTiC)(CCH)(H)	C(CCH)(CHN)(H)	C(CCH)2(H)	C(CTiC)(CCH)(H)	C(CCH)(CHN)(H)	132.7260	0.000	1	132.7260	0.000	1	127.6495	13.862	951	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:I-1:	C(CCH)(CCI)(H)	C(CCH)(CCO)(H)	C(CCH)2(I)	C(CCH)(CCI)(H)	C(CCH)(CCO)(H)	C(CCH)2(I)	129.0235	0.332	2	129.0235	0.110	2	129.0235	0.110	2	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(CCH)(CCO)(H)	C(CCC)(CCH)(H)	C(CCH)(CCN)(O)	C(CCH)(CCO)(H)	C(CCC)(CCH)(H)	C(CCH)(CCN)(O)	132.5010	0.000	1	132.5010	0.000	1	131.8250	0.635	19	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(CCH)(CCO)(H)	C(CCC)(CCH)(H)	C(CCH)(CCO)(O)	C(CCH)(CCO)(H)	C(CCC)(CCH)(H)	C(CCH)(CCO)(O)	131.5187	0.591	3	131.5187	0.350	3	131.8250	0.635	19	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(CCH)(CCO)(H)	C(CCC)(CCH)(H)	C(CCH)2(O)	C(CCH)(CCO)(H)	C(CCC)(CCH)(H)	C(CCH)2(O)	131.3290	0.000	1	131.3290	0.000	1	131.8250	0.635	19	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(CCH)(CCO)(H)	C(CCH)(CCI)(H)	C(CCH)(CCO)(O)	C(CCH)(CCO)(H)	C(CCH)(CCI)(H)	C(CCH)(CCO)(O)	131.4290	0.000	1	131.4290	0.000	1	131.8250	0.635	19	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(CCH)(CCO)(H)	C(CCH)(CCN)(H)	C(CCH)(CCO)(O)	C(CCH)(CCO)(H)	C(CCH)(CCN)(H)	C(CCH)(CCO)(O)	131.3623	0.596	4	131.3623	0.356	4	131.8250	0.635	19	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(CCH)(CCO)(H)	C(CCH)(CCO)(H)	C(CCH)(CCO)(O)	C(CCH)(CCO)(H)	C(CCH)(CCO)(H)	C(CCH)(CCO)(O)	131.6930	0.072	2	131.6930	0.005	2	131.8250	0.635	19	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(CCH)(CCO)(H)	C(CCH)(CCO)(H)	C(CCH)2(O)	C(CCH)(CCO)(H)	C(CCH)(CCO)(H)	C(CCH)2(O)	130.9070	0.000	1	130.9070	0.000	1	131.8250	0.635	19	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(CCH)(CCO)(H)	C(CC[5]C)(CCH)(H)	C(CCH)(CCN)(O)	C(CCH)(CCO)(H)	C(CC[5]C)(CCH)(H)	C(CCH)(CCN)(O)	132.4030	0.000	1	132.4030	0.000	1	131.8250	0.635	19	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(CCH)(CCO)(H)	C(CC[5]C)(CCH)(H)	C(CCH)(CCO)(O)	C(CCH)(CCO)(H)	C(CC[5]C)(CCH)(H)	C(CCH)(CCO)(O)	133.2285	0.827	2	133.2285	0.683	2	131.8250	0.635	19	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(CCH)(CCO)(H)	C(CC[6a]C)(CCH)(H)	C(CCC)(CCH)(O)	C(CCH)(CCO)(H)	C(CC[6a]C)(CCH)(H)	C(CCC)(CCH)(O)	131.0870	0.000	1	131.0870	0.000	1	131.8250	0.635	19	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(CCH)(CCO)(H)	C(CC[6a]C)(CCH)(H)	C(CCH)(CCN)(O)	C(CCH)(CCO)(H)	C(CC[6a]C)(CCH)(H)	C(CCH)(CCN)(O)	132.5855	0.342	2	132.5855	0.117	2	131.8250	0.635	19	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:N-3:H-1:	C(CCH)(CHN)(H)	C(CCH)(CCN)(H)	C(CCH)(NOO)(H)	C(CCH)(CHN)(H)	C(CCH)(CCN)(H)	C(CCH)(NOO)(H)	120.4510	0.000	1	120.4510	0.000	1	120.1870	2.290	9	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:N-3:H-1:	C(CCH)(CHN)(H)	C(CCH)(CCO)(H)	C(CCH)(NCC)(H)	C(CCH)(CHN)(H)	C(CCH)(CCO)(H)	C(CCH)(NCC)(H)	119.8393	1.401	4	119.8393	1.962	4	120.1870	2.290	9	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:N-3:H-1:	C(CCH)(CHN)(H)	C(CCH)(CCS)(H)	C(CCH)(NCC)(H)	C(CCH)(CHN)(H)	C(CCH)(CCS)(H)	C(CCH)(NCC)(H)	117.6840	0.000	1	117.6840	0.000	1	120.1870	2.290	9	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:N-3:H-1:	C(CCH)(CHN)(H)	C(CCH)(CHN)(H)	C(CCH)(NOO)(H)	C(CCH)(CHN)(H)	C(CCH)(CHN)(H)	C(CCH)(NOO)(H)	121.8280	0.325	2	121.8280	0.106	2	120.1870	2.290	9	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:N-3:H-1:	C(CCH)(CHN)(H)	C(CC[6]H)(CCH)(H)	C(CCH)(NCC)(H)	C(CCH)(CHN)(H)	C(CC[6]H)(CCH)(H)	C(CCH)(NCC)(H)	120.5350	0.000	1	120.5350	0.000	1	120.1870	2.290	9	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:N-3:O-1:	C(CCH)(CNO)(H)	C(CCH)(CNO)(H)	C(CCH)(NCC)(O)	C(CCH)(CNO)(H)	C(CCH)(CNO)(H)	C(CCH)(NCC)(O)	120.7817	1.052	3	120.7817	1.106	3	123.8529	12.355	15	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:N-3:O-1:	C(CCH)(CNO)(H)	C(CCH)(CNO)(H)	C(CCH)(NCH)(O)	C(CCH)(CNO)(H)	C(CCH)(CNO)(H)	C(CCH)(NCH)(O)	121.7600	0.579	4	121.7600	0.335	4	123.8529	12.355	15	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:N-3:O-1:	C(CCH)(CNO)(H)	C(CCH)(CNO)(H)	C(CCH)(NHS)(O)	C(CCH)(CNO)(H)	C(CCH)(CNO)(H)	C(CCH)(NHS)(O)	120.7560	0.000	1	120.7560	0.000	1	123.8529	12.355	15	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:N-3:O-1:	C(CCH)(CNO)(H)	C(CCH)(COO)(H)	C(CCH)(NCH)(O)	C(CCH)(CNO)(H)	C(CCH)(COO)(H)	C(CCH)(NCH)(O)	128.0804	2.149	5	128.0804	4.617	5	123.8529	12.355	15	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:N-3:O-1:	C(CCH)(CNO)(H)	C(CCH)(COO)(H)	C(CCH)(NHH)(O)	C(CCH)(CNO)(H)	C(CCH)(COO)(H)	C(CCH)(NHH)(O)	121.8340	0.000	1	121.8340	0.000	1	123.8529	12.355	15	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:N-3:O-1:	C(CCH)(CNO)(H)	C(CCH)(COO)(H)	C(CCH)(NHS)(O)	C(CCH)(CNO)(H)	C(CCH)(COO)(H)	C(CCH)(NHS)(O)	125.4170	0.000	1	125.4170	0.000	1	123.8529	12.355	15	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:I-1:	C-3:C-3:H-1:	C(CCH)(CCI)(H)	C(CCH)(CCO)(I)	C(CCH)2(H)	C(CCH)(CCI)(H)	C(CCH)(CCO)(I)	C(CCH)2(H)	129.7740	0.000	1	129.7740	0.000	1	129.7740	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CBrC)(CCH)(O)	C(CCH)2(H)	C(CCH)(CCO)(H)	C(CBrC)(CCH)(O)	C(CCH)2(H)	131.7110	0.000	1	131.7110	0.000	1	131.4673	3.519	36	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CCC)(CCH)(O)	C(CCH)(CCO)(H)	C(CCH)(CCO)(H)	C(CCC)(CCH)(O)	C(CCH)(CCO)(H)	131.4705	0.569	2	131.4705	0.324	2	131.4673	3.519	36	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CCC)(CCH)(O)	C(CCH)2(H)	C(CCH)(CCO)(H)	C(CCC)(CCH)(O)	C(CCH)2(H)	130.4510	0.604	2	130.4510	0.365	2	131.4673	3.519	36	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CCH)(CCN)(O)	C(CCH)2(H)	C(CCH)(CCO)(H)	C(CCH)(CCN)(O)	C(CCH)2(H)	131.9022	0.409	17	131.9022	0.167	17	131.4673	3.519	36	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CCH)(CCO)(O)	C(CCH)2(H)	C(CCH)(CCO)(H)	C(CCH)(CCO)(O)	C(CCH)2(H)	131.7819	0.435	8	131.7819	0.189	8	131.4673	3.519	36	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CC[6]C)(CCH)(O)	C(CCH)2(H)	C(CCH)(CCO)(H)	C(CC[6]C)(CCH)(O)	C(CCH)2(H)	131.5440	0.000	1	131.5440	0.000	1	131.4673	3.519	36	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CC[6]H)(CCH)(O)	C(CCH)(CHN)(H)	C(CCH)(CCO)(H)	C(CC[6]H)(CCH)(O)	C(CCH)(CHN)(H)	124.4010	0.000	2	124.4010	0.000	2	131.4673	3.519	36	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CN[5]C)(CCH)(O)	C(CCH)2(H)	C(CCH)(CCO)(H)	C(CN[5]C)(CCH)(O)	C(CCH)2(H)	133.8120	0.000	1	133.8120	0.000	1	131.4673	3.519	36	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CN[6]C)(CCH)(O)	C(CCH)(CCO)(H)	C(CCH)(CCO)(H)	C(CN[6]C)(CCH)(O)	C(CCH)(CCO)(H)	133.2580	0.741	2	133.2580	0.549	2	131.4673	3.519	36	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:C-3:O-1:	C(CCO)2(H)	C(CCH)2(O)	C(CCH)2(O)	C(CCO)2(H)	C(CCH)2(O)	C(CCH)2(O)	121.7330	0.000	1	121.7330	0.000	1	121.7330	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-3:N-3:H-1:	C(CCO)(CHN)(H)	C(CCH)(CNO)(O)	C(CCH)(NCH)(H)	C(CCO)(CHN)(H)	C(CCH)(CNO)(O)	C(CCH)(NCH)(H)	119.7215	0.547	2	119.7215	0.299	2	119.7215	0.299	2	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:N-3:H-1:	C-3:C-3:H-1:	C(CCH)(CHN)(H)	C(CCH)(NCH)(H)	C(CCH)2(H)	C(CCH)(CHN)(H)	C(CCH)(NCH)(H)	C(CCH)2(H)	125.9990	0.000	1	125.9990	0.000	1	125.9990	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:N-3:H-1:	C-3:N-3:H-1:	C(CHN)2(H)	C(CCH)(NCH)(H)	C(CCH)(NCH)(H)	C(CHN)2(H)	C(CCH)(NCH)(H)	C(CCH)(NCH)(H)	120.6420	0.000	1	120.6420	0.000	1	120.6420	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C-3:N-3:O-1:	C-3:C-3:H-1:	C(CCH)(CNO)(H)	C(CCH)(NCH)(O)	C(CCH)2(H)	C(CCH)(CNO)(H)	C(CCH)(NCH)(O)	C(CCH)2(H)	123.6883	0.107	3	123.6883	0.011	3	123.6883	0.011	3	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:C-3:Br-1:	C(CC[5]H)(CBrC)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCH)2(Br)	C(CC[5]H)(CBrC)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCH)2(Br)	126.0100	0.000	1	126.0100	0.000	1	126.0100	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:C-3:Cl-1:	C(CC[5]H)(CClC)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCH)2(Cl)	C(CC[5]H)(CClC)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCH)2(Cl)	126.4468	2.482	4	126.4468	6.162	4	126.4468	6.162	4	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5,5a]C[5])(CCH)(H)	C(CCC)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5,5a]C[5])(CCH)(H)	C(CCC)(CCH)(H)	129.2620	0.373	2	129.2620	0.139	2	128.8754	3.262	364	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5,5a]C[5])(CCH)(H)	C(CCH)2(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5,5a]C[5])(CCH)(H)	C(CCH)2(H)	128.7700	0.000	1	128.7700	0.000	1	128.8754	3.262	364	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6]C[5])(CCH)(H)	C(CCH)(COO)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6]C[5])(CCH)(H)	C(CCH)(COO)(H)	123.5690	0.000	1	123.5690	0.000	1	128.8754	3.262	364	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6]C[5])(CCH)(H)	C(CCH)2(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6]C[5])(CCH)(H)	C(CCH)2(H)	125.4790	0.156	3	125.4790	0.024	3	128.8754	3.262	364	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6]N[5])(CCH)(H)	C(CC[6]H)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6]N[5])(CCH)(H)	C(CC[6]H)(CCH)(H)	129.0520	0.000	1	129.0520	0.000	1	128.8754	3.262	364	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6a]C[5])(CCH)(H)	C(CCH)2(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6a]C[5])(CCH)(H)	C(CCH)2(H)	129.0110	0.604	10	129.0110	0.365	10	128.8754	3.262	364	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6a]N[5])(CCH)(H)	C(CCH)(CHH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6a]N[5])(CCH)(H)	C(CCH)(CHH)(H)	124.8720	0.000	1	124.8720	0.000	1	128.8754	3.262	364	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2)(CCH)(H)	C(CBrC)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2)(CCH)(H)	C(CBrC)(CCH)(H)	126.6550	0.000	1	126.6550	0.000	1	128.8754	3.262	364	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCC)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCC)(CCH)(H)	129.0930	0.499	8	129.0930	0.249	8	128.8754	3.262	364	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCH)(CHH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCH)(CHH)(H)	124.3025	0.185	2	124.3025	0.034	2	128.8754	3.262	364	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCH)(CHN)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCH)(CHN)(H)	121.5910	0.000	1	121.5910	0.000	1	128.8754	3.262	364	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCH)2(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCH)2(H)	128.4911	1.108	154	128.4911	1.229	154	128.8754	3.262	364	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2)(CCH)(H)	C(CC[6]H)(CCH)(H)	122.0650	0.000	1	122.0650	0.000	1	128.8754	3.262	364	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2)(CCH)(H)	C(CC[6a]C)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2)(CCH)(H)	C(CC[6a]C)(CCH)(H)	127.9150	2.324	2	127.9150	5.399	2	128.8754	3.262	364	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]N[5])(CCH)(H)	C(CCC)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]N[5])(CCH)(H)	C(CCC)(CCH)(H)	134.3960	0.000	1	134.3960	0.000	1	128.8754	3.262	364	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]N[5])(CCH)(H)	C(CCH)2(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]N[5])(CCH)(H)	C(CCH)2(H)	129.7061	1.375	167	129.7061	1.891	167	128.8754	3.262	364	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]N[5])(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]N[5])(CCH)(H)	C(CC[6a]H)(CCH)(H)	122.8430	0.000	1	122.8430	0.000	1	128.8754	3.262	364	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]S[5])(CCH)(H)	C(CCH)2(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]S[5])(CCH)(H)	C(CCH)2(H)	123.8972	3.788	4	123.8972	14.353	4	128.8754	3.262	364	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]N[5]2)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]N[5]2)(CCH)(H)	C(CC[5]H)(CCH)(H)	122.2790	0.970	2	122.2790	0.941	2	128.8754	3.262	364	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]N[5]2)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]N[5]2)(CCH)(H)	C(CC[6a]H)(CCH)(H)	125.8840	0.000	1	125.8840	0.000	1	128.8754	3.262	364	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:C-3:O-1:	C(CC[5]H)(CCO)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCC)(CCH)(O)	C(CC[5]H)(CCO)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCC)(CCH)(O)	124.6710	0.000	1	124.6710	0.000	1	124.6710	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:N-3:H-1:	C(CC[5]H)(CHN)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCH)(NCC)(H)	C(CC[5]H)(CHN)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCH)(NCC)(H)	133.1530	0.000	1	133.1530	0.000	1	133.1530	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C(CC[5]H)2(H)	C(C[5]C[5]N[5])(CCH)(H)	C(C[5]C[5]2)(CCH)(H)	C(CC[5]H)2(H)	C(C[5]C[5]N[5])(CCH)(H)	C(C[5]C[5]2)(CCH)(H)	122.6660	0.000	1	122.6660	0.000	1	123.0694	1.608	5	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C(CC[5]H)2(H)	C(C[5]C[5]N[5])(CCH)(H)	C(C[5]C[5]N[5])(CCH)(H)	C(CC[5]H)2(H)	C(C[5]C[5]N[5])(CCH)(H)	C(C[5]C[5]N[5])(CCH)(H)	121.5550	0.000	1	121.5550	0.000	1	123.0694	1.608	5	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C(CC[5]H)2(H)	C(C[5]N[5]S[5])(CCH)(H)	C(C[5]N[5]S[5])(CCH)(H)	C(CC[5]H)2(H)	C(C[5]N[5]S[5])(CCH)(H)	C(C[5]N[5]S[5])(CCH)(H)	123.7087	1.172	3	123.7087	1.375	3	123.0694	1.608	5	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C(CC[5a]H)(CC[5]H)(H)	C(C[5]C[5]N[5])(CCH)(H)	C(C[5a]N[5a]2)(CCH)(H)	C(CC[5a]H)(CC[5]H)(H)	C(C[5]C[5]N[5])(CCH)(H)	C(C[5a]N[5a]2)(CCH)(H)	121.9920	0.000	1	121.9920	0.000	1	121.9920	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C(CC[5]H)(CC[6]H)(H)	C(C[5]N[5]S[5])(CCH)(H)	C(C[6]C[6]O[6])(CCH)(H)	C(CC[5]H)(CC[6]H)(H)	C(C[5]N[5]S[5])(CCH)(H)	C(C[6]C[6]O[6])(CCH)(H)	121.6450	0.000	1	121.6450	0.000	1	121.6450	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CC[5]H)(H)	C(C[5]C[5,6a]C[5])(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[5]H)(H)	C(C[5]C[5,6a]C[5])(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	122.3040	0.255	2	122.3040	0.065	2	122.3040	0.065	2	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CC[5]O)(H)	C(C[5]C[5,6]C[5])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[5]O)(H)	C(C[5]C[5,6]C[5])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	120.9030	0.000	1	120.9030	0.000	1	120.6323	0.872	3	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CC[5]O)(H)	C(C[5]C[5]N[5])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[5]O)(H)	C(C[5]C[5]N[5])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	119.5930	0.000	1	119.5930	0.000	1	120.6323	0.872	3	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CC[5]O)(H)	C(C[5]C[5]O[5])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[5]O)(H)	C(C[5]C[5]O[5])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	121.4010	0.000	1	121.4010	0.000	1	120.6323	0.872	3	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5a]H)(CCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	C(CCH)2(H)	C(CC[5a]H)(CCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	C(CCH)2(H)	130.5230	0.000	1	130.5230	0.000	1	128.8106	5.479	56	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5a]H)(CCH)(H)	C(C[5a]C[5a]2)(CCH)(H)	C(CCH)2(H)	C(CC[5a]H)(CCH)(H)	C(C[5a]C[5a]2)(CCH)(H)	C(CCH)2(H)	128.2470	0.126	2	128.2470	0.016	2	128.8106	5.479	56	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5a]H)(CCH)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CCH)2(H)	C(CC[5a]H)(CCH)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CCH)2(H)	129.5942	1.553	38	129.5942	2.411	38	128.8106	5.479	56	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5a]H)(CCH)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(CC[5a]H)(CCH)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[6a]H)(CCH)(H)	123.6337	2.800	3	123.6337	7.841	3	128.8106	5.479	56	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5a]H)(CCH)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CCH)2(H)	C(CC[5a]H)(CCH)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CCH)2(H)	129.2010	0.353	7	129.2010	0.125	7	128.8106	5.479	56	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5a]H)(CCH)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CC[5a]H)(CCH)(H)	C(CC[5a]H)(CCH)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CC[5a]H)(CCH)(H)	124.9250	0.000	1	124.9250	0.000	1	128.8106	5.479	56	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5a]H)(CCH)(H)	C(C[5a]N[5a,6a]C[5a])(CCH)(H)	C(CCH)2(H)	C(CC[5a]H)(CCH)(H)	C(C[5a]N[5a,6a]C[5a])(CCH)(H)	C(CCH)2(H)	122.8800	0.010	2	122.8800	0.000	2	128.8106	5.479	56	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5a]H)(CCH)(H)	C(C[5a]N[5a]2)(CCH)(H)	C(CN[5a]H)(CCH)(H)	C(CC[5a]H)(CCH)(H)	C(C[5a]N[5a]2)(CCH)(H)	C(CN[5a]H)(CCH)(H)	127.9020	0.508	2	127.9020	0.258	2	128.8106	5.479	56	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:C-3:O-1:	C(CC[5a]H)(CCO)(H)	C(C[5a]C[5a]2)(CCH)(H)	C(CCH)2(O)	C(CC[5a]H)(CCO)(H)	C(C[5a]C[5a]2)(CCH)(H)	C(CCH)2(O)	122.0740	0.273	2	122.0740	0.074	2	121.5556	1.419	7	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:C-3:O-1:	C(CC[5a]H)(CCO)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CCC)(CCH)(O)	C(CC[5a]H)(CCO)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CCC)(CCH)(O)	121.8010	0.000	1	121.8010	0.000	1	121.5556	1.419	7	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:C-3:O-1:	C(CC[5a]H)(CCO)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CCH)(CCO)(O)	C(CC[5a]H)(CCO)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CCH)(CCO)(O)	120.0495	1.295	2	120.0495	1.676	2	121.5556	1.419	7	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:C-3:O-1:	C(CC[5a]H)(CCO)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CCH)2(O)	C(CC[5a]H)(CCO)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CCH)2(O)	122.4205	0.368	2	122.4205	0.136	2	121.5556	1.419	7	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C(CC[5a]H)(CC[5]H)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	C(C[5]C[5]2)(CCH)(H)	C(CC[5a]H)(CC[5]H)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	C(C[5]C[5]2)(CCH)(H)	120.5330	0.000	1	120.5330	0.000	1	120.5330	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C(CC[5a]H)2(H)	C(C[5a]C[5a,6a]N[5a,5a])(CCH)(H)	C(C[5a]C[5a,6a]N[5a,5a])(CCH)(H)	C(CC[5a]H)2(H)	C(C[5a]C[5a,6a]N[5a,5a])(CCH)(H)	C(C[5a]C[5a,6a]N[5a,5a])(CCH)(H)	121.8830	0.000	1	121.8830	0.000	1	122.7560	0.587	3	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C(CC[5a]H)2(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[5a]H)2(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	123.1925	0.175	2	123.1925	0.031	2	122.7560	0.587	3	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C(CC[5a]H)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(C[5a]C[5a]S[5a])(CCH)(O)	C(CC[5a]H)(CC[5a]O)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(C[5a]C[5a]S[5a])(CCH)(O)	120.9770	0.000	1	120.9770	0.000	1	120.8233	0.159	3	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C(CC[5a]H)(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(C[5a]C[5a]O[5a])(CCH)(O)	C(CC[5a]H)(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(C[5a]C[5a]O[5a])(CCH)(O)	120.7465	0.531	2	120.7465	0.282	2	120.8233	0.159	3	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C(CC[5a]H)(CC[6]H)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	C(C[6]C[6]2)(CCH)(H)	C(CC[5a]H)(CC[6]H)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	C(C[6]C[6]2)(CCH)(H)	120.4130	0.000	1	120.4130	0.000	1	120.4130	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CC[5a]H)(CC[6a]H)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5a]H)(CC[6a]H)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	127.8030	0.000	1	127.8030	0.000	1	125.0790	14.840	2	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CC[5a]H)(CC[6a]H)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5a]H)(CC[6a]H)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	122.3550	0.000	1	122.3550	0.000	1	125.0790	14.840	2	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(CC[5a]H)(CC[6a]O)(H)	C(C[5a]C[5a]2)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[5a]H)(CC[6a]O)(H)	C(C[5a]C[5a]2)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	121.8182	1.624	19	121.8182	2.638	19	121.2242	1.965	56	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(CC[5a]H)(CC[6a]O)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[5a]H)(CC[6a]O)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	123.0595	2.153	2	123.0595	4.636	2	121.2242	1.965	56	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(CC[5a]H)(CC[6a]O)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[5a]H)(CC[6a]O)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	120.7435	1.168	11	120.7435	1.365	11	121.2242	1.965	56	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(CC[5a]H)(CC[6a]O)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[5a]H)(CC[6a]O)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	120.8412	1.031	22	120.8412	1.064	22	121.2242	1.965	56	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(CC[5a]H)(CC[6a]O)(H)	C(C[5a]N[5a,6a]C[5a])(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[5a]H)(CC[6a]O)(H)	C(C[5a]N[5a,6a]C[5a])(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	120.6040	0.000	2	120.6040	0.000	2	121.2242	1.965	56	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	N-3:C-3:O-1:	C(CC[5a]H)(CNO)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(NC[3]C)(CCH)(O)	C(CC[5a]H)(CNO)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(NC[3]C)(CCH)(O)	118.9357	0.573	4	118.9357	0.328	4	118.9357	0.328	4	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	N[5]-3:C-3:O-1:	C(CC[5a]H)(CN[5]O)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(N[5]C[5]2)(CCH)(O)	C(CC[5a]H)(CN[5]O)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(N[5]C[5]2)(CCH)(O)	119.5860	0.000	1	119.5860	0.000	1	119.5860	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:C-3:H-1:	C(CC[5a]O)(CCH)(H)	C(C[5a]C[5a]N[5a])(CCH)(O)	C(CCH)2(H)	C(CC[5a]O)(CCH)(H)	C(C[5a]C[5a]N[5a])(CCH)(O)	C(CCH)2(H)	126.5475	5.556	2	126.5475	30.866	2	124.8817	23.758	3	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:C-3:H-1:	C(CC[5a]O)(CCH)(H)	C(C[5a]C[5a]S[5a])(CCH)(O)	C(CCH)2(H)	C(CC[5a]O)(CCH)(H)	C(C[5a]C[5a]S[5a])(CCH)(O)	C(CCH)2(H)	121.5500	0.000	1	121.5500	0.000	1	124.8817	23.758	3	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:N-3:H-1:	C(CC[5a]O)(CHN)(H)	C(C[5a]C[5a]S[5a])(CCH)(O)	C(CCH)(NCC)(H)	C(CC[5a]O)(CHN)(H)	C(C[5a]C[5a]S[5a])(CCH)(O)	C(CCH)(NCC)(H)	120.3750	0.498	3	120.3750	0.248	3	119.8522	1.258	4	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:N-3:H-1:	C(CC[5a]O)(CHN)(H)	C(C[5a]N[5a]S[5a])(CCH)(O)	C(CCH)(NCC)(H)	C(CC[5a]O)(CHN)(H)	C(C[5a]N[5a]S[5a])(CCH)(O)	C(CCH)(NCC)(H)	118.2840	0.000	1	118.2840	0.000	1	119.8522	1.258	4	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	120.4880	0.710	2	120.4880	0.504	2	121.5115	2.031	97	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]C[5a]2)(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]C[5a]2)(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	122.0739	1.549	15	122.0739	2.401	15	121.5115	2.031	97	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]C[5a]N[5a])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]C[5a]N[5a])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	122.1762	0.967	15	122.1762	0.935	15	121.5115	2.031	97	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]C[5a]O[5a])(CCH)(O)	C(C[6a]C[6a,6a]2)(CCH)(H)	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]C[5a]O[5a])(CCH)(O)	C(C[6a]C[6a,6a]2)(CCH)(H)	120.4100	0.000	1	120.4100	0.000	1	121.5115	2.031	97	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]C[5a]O[5a])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]C[5a]O[5a])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	120.9474	1.194	8	120.9474	1.425	8	121.5115	2.031	97	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]C[5a]S[5a])(CCH)(O)	C(C[6a]C[6a,6a]2)(CCH)(H)	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]C[5a]S[5a])(CCH)(O)	C(C[6a]C[6a,6a]2)(CCH)(H)	125.4240	0.704	3	125.4240	0.495	3	121.5115	2.031	97	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]C[5a]S[5a])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]C[5a]S[5a])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	121.0485	1.062	48	121.0485	1.127	48	121.5115	2.031	97	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]N[5a,6a]C[5a])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]N[5a,6a]C[5a])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	122.3430	1.049	2	122.3430	1.101	2	121.5115	2.031	97	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]N[5a]2)(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]N[5a]2)(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	119.8660	0.782	2	119.8660	0.612	2	121.5115	2.031	97	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]N[5a]S[5a])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5a]O)(CC[6a]H)(H)	C(C[5a]N[5a]S[5a])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	122.8860	0.000	1	122.8860	0.000	1	121.5115	2.031	97	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6,6]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CC[6,6]H)(CC[6a]H)(H)	C(C[6,6]C[3x6]C[6,6])(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6,6]H)(CC[6a]H)(H)	C(C[6,6]C[3x6]C[6,6])(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	123.8550	0.000	1	123.8550	0.000	1	123.8550	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCH)(H)	C(C[6]C[5,6]C[6])(CCH)(H)	C(CC[5]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[5,6]C[6])(CCH)(H)	C(CC[5]H)(CCH)(H)	129.5300	0.000	1	129.5300	0.000	1	124.8640	4.116	24	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCH)(H)	C(C[6]C[6,6a]C[6])(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6,6a]C[6])(CCH)(H)	C(CC[6a]H)(CCH)(H)	121.1380	0.000	1	121.1380	0.000	1	124.8640	4.116	24	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCH)(H)	C(C[6]C[6,6a]O[6])(CCH)(H)	C(CCH)2(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6,6a]O[6])(CCH)(H)	C(CCH)2(H)	125.8220	0.000	1	125.8220	0.000	1	124.8640	4.116	24	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCH)(H)	C(C[6]C[6,6a]O[6])(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6,6a]O[6])(CCH)(H)	C(CC[6a]H)(CCH)(H)	126.4170	0.000	1	126.4170	0.000	1	124.8640	4.116	24	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2)(CCH)(H)	C(CCH)(CHN)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2)(CCH)(H)	C(CCH)(CHN)(H)	124.1300	0.000	1	124.1300	0.000	1	124.8640	4.116	24	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2)(CCH)(H)	C(CCH)2(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2)(CCH)(H)	C(CCH)2(H)	125.2580	1.655	4	125.2580	2.739	4	124.8640	4.116	24	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2)(CCH)(H)	C(CC[6]H)(CCH)(H)	122.9885	0.886	2	122.9885	0.785	2	124.8640	4.116	24	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2)(CCH)(H)	C(CC[6a]H)(CCH)(H)	125.3360	1.007	2	125.3360	1.014	2	124.8640	4.116	24	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCH)(H)	C(C[6]C[6]N[6])(CCH)(H)	C(CCH)2(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]N[6])(CCH)(H)	C(CCH)2(H)	128.0490	0.000	1	128.0490	0.000	1	124.8640	4.116	24	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCH)(H)	C(C[6]C[6]N[6])(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]N[6])(CCH)(H)	C(CC[6a]H)(CCH)(H)	122.6857	0.496	3	122.6857	0.246	3	124.8640	4.116	24	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCH)(H)	C(C[6]C[6]O[6])(CCH)(H)	C(CCH)(CCO)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]O[6])(CCH)(H)	C(CCH)(CCO)(H)	124.9500	0.000	1	124.9500	0.000	1	124.8640	4.116	24	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCH)(H)	C(C[6]C[6]O[6])(CCH)(H)	C(CCH)2(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]O[6])(CCH)(H)	C(CCH)2(H)	126.3460	1.023	3	126.3460	1.046	3	124.8640	4.116	24	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCH)(H)	C(C[6]C[6]O[6])(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]O[6])(CCH)(H)	C(CC[6a]H)(CCH)(H)	124.6860	0.000	1	124.6860	0.000	1	124.8640	4.116	24	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCH)(H)	C(C[6]N[6,6]C[6])(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]N[6,6]C[6])(CCH)(H)	C(CC[6a]H)(CCH)(H)	123.2060	0.000	1	123.2060	0.000	1	124.8640	4.116	24	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCH)(H)	C(C[6]N[6]O[6])(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]N[6]O[6])(CCH)(H)	C(CC[6a]H)(CCH)(H)	124.0330	0.000	1	124.0330	0.000	1	124.8640	4.116	24	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:C-3:O-1:	C(CC[6]H)(CCO)(H)	C(C[6]C[6]2)(CCH)(H)	C(CCH)2(O)	C(CC[6]H)(CCO)(H)	C(C[6]C[6]2)(CCH)(H)	C(CCH)2(O)	120.4450	0.000	1	120.4450	0.000	1	120.4450	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	121.1370	0.000	1	121.1370	0.000	1	121.1370	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-3:C-3:O-1:	C-3:N-3:H-1:	C(CC[6]O)(CHN)(H)	C(C[6]C[6]2)(CCH)(O)	C(CCH)(NCC)(H)	C(CC[6]O)(CHN)(H)	C(C[6]C[6]2)(CCH)(O)	C(CCH)(NCC)(H)	121.1510	0.000	1	121.1510	0.000	1	121.1510	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:Br-1:	C-3:C-3:H-1:	C(CC[6a]Br)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(Br)	C(CCH)2(H)	C(CC[6a]Br)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(Br)	C(CCH)2(H)	125.2355	0.490	2	125.2355	0.240	2	126.0553	1.020	4	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:Br-1:	C-3:C-3:H-1:	C(CC[6a]Br)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(Br)	C(CC[6a]Br)(CCH)(H)	C(CC[6a]Br)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(Br)	C(CC[6a]Br)(CCH)(H)	126.8750	0.363	2	126.8750	0.132	2	126.0553	1.020	4	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:Br-1:	C[6a]-3:C-3:O-1:	C(CC[6a]Br)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(Br)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]Br)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(Br)	C(C[6a]C[6a]2)(CCH)(O)	126.0360	0.000	1	126.0360	0.000	1	126.0360	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:Cl-1:	C-3:C-3:H-1:	C(CC[6a]Cl)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	C(CC[6a]H)(CCH)(H)	C(CC[6a]Cl)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	C(CC[6a]H)(CCH)(H)	128.5485	0.518	2	128.5485	0.269	2	128.5485	0.269	2	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:Cl-1:	C-3:N-3:O-1:	C(CC[6a]Cl)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	C(CCH)(NCH)(O)	C(CC[6a]Cl)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	C(CCH)(NCH)(O)	130.0730	0.059	2	130.0730	0.004	2	130.0730	0.004	2	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:Cl-1:	C[6a]-3:C-3:O-1:	C(CC[6a]Cl)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]Cl)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	C(C[6a]C[6a]2)(CCH)(O)	127.2830	0.496	2	127.2830	0.246	2	127.2830	0.246	2	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:Br-1:	C(CC[6a]H)(CBrC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)2(Br)	C(CC[6a]H)(CBrC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)2(Br)	127.6640	0.881	2	127.6640	0.776	2	127.8978	0.559	4	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:Br-1:	C(CC[6a]H)(CBrC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCH)(Br)	C(CC[6a]H)(CBrC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCH)(Br)	128.1315	0.827	2	128.1315	0.683	2	127.8978	0.559	4	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a,6a]2)(CCH)(H)	C(CCC)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a,6a]2)(CCH)(H)	C(CCC)(CCH)(H)	119.3620	0.000	1	119.3620	0.000	1	123.4221	3.343	154	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(CCH)2(H)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(CCH)2(H)	124.2788	1.988	5	124.2788	3.953	5	123.4221	3.343	154	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(CC[6]H)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(CC[6]H)(CCH)(H)	124.4900	0.000	1	124.4900	0.000	1	123.4221	3.343	154	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(CC[6a]H)(CCH)(H)	121.6440	0.000	1	121.6440	0.000	1	123.4221	3.343	154	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CB[5]H)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CB[5]H)(CCH)(H)	121.4525	0.972	2	121.4525	0.945	2	123.4221	3.343	154	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CBrC)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CBrC)(CCH)(H)	121.0245	1.172	2	121.0245	1.373	2	123.4221	3.343	154	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CBrS)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CBrS)(CCH)(H)	121.5200	0.000	1	121.5200	0.000	1	123.4221	3.343	154	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCC)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCC)(CCH)(H)	121.4017	0.647	8	121.4017	0.419	8	123.4221	3.343	154	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(CCN)(H)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(CCN)(H)	121.2915	0.066	2	121.2915	0.004	2	123.4221	3.343	154	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(CCS)(H)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(CCS)(H)	122.2920	0.000	1	122.2920	0.000	1	123.4221	3.343	154	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(CHH)(H)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(CHH)(H)	128.0045	0.531	4	128.0045	0.282	4	123.4221	3.343	154	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(CHN)(H)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(CHN)(H)	123.9720	0.000	1	123.9720	0.000	1	123.4221	3.343	154	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)2(H)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)2(H)	123.4551	1.282	86	123.4551	1.643	86	123.4221	3.343	154	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5]C)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5]C)(CCH)(H)	123.1295	0.310	2	123.1295	0.096	2	123.4221	3.343	154	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5]H)(CCH)(H)	122.1675	1.667	2	122.1675	2.778	2	123.4221	3.343	154	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5a]H)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5a]H)(CCH)(H)	124.0547	2.390	3	124.0547	5.712	3	123.4221	3.343	154	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6]H)(CCH)(H)	123.0275	1.154	10	123.0275	1.332	10	123.4221	3.343	154	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]2)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]2)(CCH)(H)	125.8003	1.465	3	125.8003	2.147	3	123.4221	3.343	154	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]C)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]C)(CCH)(H)	122.0160	0.813	2	122.0160	0.661	2	123.4221	3.343	154	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]Cl)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]Cl)(CCH)(H)	121.1025	1.036	2	121.1025	1.073	2	123.4221	3.343	154	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCH)(H)	124.9185	2.431	13	124.9185	5.909	13	123.4221	3.343	154	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CClO)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CClO)(CCH)(H)	122.3940	0.000	1	122.3940	0.000	1	123.4221	3.343	154	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CN[5]C)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CN[5]C)(CCH)(H)	121.4190	0.000	1	121.4190	0.000	1	123.4221	3.343	154	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:O-1:	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCC)(CCH)(O)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCC)(CCH)(O)	125.6190	7.244	2	125.6190	52.470	2	122.3218	4.162	96	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:O-1:	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(CCN)(O)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(CCN)(O)	120.5080	0.000	1	120.5080	0.000	1	122.3218	4.162	96	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:O-1:	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(COO)(O)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(COO)(O)	120.3830	0.000	1	120.3830	0.000	1	122.3218	4.162	96	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:O-1:	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)2(O)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)2(O)	122.3287	1.857	90	122.3287	3.447	90	122.3218	4.162	96	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:O-1:	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5]C)(CCH)(O)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5]C)(CCH)(O)	120.5895	1.136	2	120.5895	1.291	2	122.3218	4.162	96	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:N-3:H-1:	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(NCH)(H)	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(NCH)(H)	120.8850	0.000	1	120.8850	0.000	1	119.0857	2.430	3	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:N-3:H-1:	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(NCN)(H)	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(NCN)(H)	118.1860	0.057	2	118.1860	0.003	2	119.0857	2.430	3	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:N-3:O-1:	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(NCC)(O)	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(NCC)(O)	120.4253	1.127	3	120.4253	1.271	3	121.5187	3.705	61	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:N-3:O-1:	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(NCH)(O)	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(NCH)(O)	121.7472	1.787	36	121.7472	3.192	36	121.5187	3.705	61	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:N-3:O-1:	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(NCN)(O)	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(NCN)(O)	119.7500	0.000	1	119.7500	0.000	1	121.5187	3.705	61	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:N-3:O-1:	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(NHH)(O)	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(NHH)(O)	122.5207	1.149	9	122.5207	1.320	9	121.5187	3.705	61	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:N-3:O-1:	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(NHN)(O)	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(NHN)(O)	120.1579	2.734	9	120.1579	7.475	9	121.5187	3.705	61	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:N-3:O-1:	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]N[6a])(CCH)(H)	C(CCH)(NCH)(O)	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]N[6a])(CCH)(H)	C(CCH)(NCH)(O)	122.1280	1.137	2	122.1280	1.293	2	121.5187	3.705	61	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:N-3:O-1:	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]N[6a])(CCH)(H)	C(CCH)(NHN)(O)	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]N[6a])(CCH)(H)	C(CCH)(NHN)(O)	120.3540	0.000	1	120.3540	0.000	1	121.5187	3.705	61	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C[4]-3:C-3:H-1:	C(CC[6a]H)(CC[4]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(C[4]C[4]2)(CCH)(H)	C(CC[6a]H)(CC[4]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(C[4]C[4]2)(CCH)(H)	123.9340	0.000	1	123.9340	0.000	1	123.9340	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C(CC[6a]H)(CC[5]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(C[5]C[5]2)(CCH)(H)	C(CC[6a]H)(CC[5]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(C[5]C[5]2)(CCH)(H)	122.6300	1.481	4	122.6300	2.192	4	122.6300	2.192	4	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C[5]-3:C-3:O-1:	C(CC[6a]H)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(C[5]C[5]2)(CCH)(O)	C(CC[6a]H)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(C[5]C[5]2)(CCH)(O)	122.3260	0.000	1	122.3260	0.000	1	123.4355	2.462	2	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C[5]-3:C-3:O-1:	C(CC[6a]H)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(C[5]N[5]2)(CCH)(O)	C(CC[6a]H)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(C[5]N[5]2)(CCH)(O)	124.5450	0.000	1	124.5450	0.000	1	123.4355	2.462	2	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C[6]-3:C-3:H-1:	C(CC[6a]H)(CC[6]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(C[6]C[6]2)(CCH)(H)	C(CC[6a]H)(CC[6]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(C[6]C[6]2)(CCH)(H)	121.4976	1.555	16	121.4976	2.418	16	121.4976	2.418	16	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C[6]-3:C-3:O-1:	C(CC[6a]H)(CC[6]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(C[6]C[6]2)(CCH)(O)	C(CC[6a]H)(CC[6]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(C[6]C[6]2)(CCH)(O)	120.9896	0.937	7	120.9896	0.878	7	120.9896	0.878	7	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CC[6a]H)2(H)	C(C[6a]C[6a]2)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)2(H)	C(C[6a]C[6a]2)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	119.2380	0.000	1	119.2380	0.000	1	119.2380	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]2)(CCH)(H)	C(C[6a]C[6a,6a]2)(CCH)(O)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]2)(CCH)(H)	C(C[6a]C[6a,6a]2)(CCH)(O)	124.8700	0.000	1	124.8700	0.000	1	121.4418	2.305	537	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]2)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]2)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	122.6467	2.292	15	122.6467	5.252	15	121.4418	2.305	537	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(C[6a]C[6a,6a]2)(CCH)(O)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(C[6a]C[6a,6a]2)(CCH)(O)	122.8370	1.020	2	122.8370	1.040	2	121.4418	2.305	537	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	121.3932	1.401	6	121.3932	1.963	6	121.4418	2.305	537	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	121.3950	1.474	513	121.3950	2.173	513	121.4418	2.305	537	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	N-3:C-3:H-1:	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[6]Cu)(CCH)(H)	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[6]Cu)(CCH)(H)	123.1617	0.717	6	123.1617	0.513	6	121.9170	1.969	50	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	N-3:C-3:H-1:	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[6]Ni)(CCH)(H)	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[6]Ni)(CCH)(H)	122.0540	1.085	3	122.0540	1.178	3	121.9170	1.969	50	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	N-3:C-3:H-1:	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[6]Zn)(CCH)(H)	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[6]Zn)(CCH)(H)	121.0100	1.489	3	121.0100	2.218	3	121.9170	1.969	50	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	N-3:C-3:H-1:	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]O)(CCH)(H)	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]O)(CCH)(H)	120.7150	0.000	1	120.7150	0.000	1	121.9170	1.969	50	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	N-3:C-3:H-1:	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]Zn)(CCH)(H)	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]Zn)(CCH)(H)	120.2015	0.646	2	120.2015	0.417	2	121.9170	1.969	50	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	N-3:C-3:H-1:	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NCdN)(CCH)(H)	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NCdN)(CCH)(H)	123.8305	0.378	2	123.8305	0.143	2	121.9170	1.969	50	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	N-3:C-3:H-1:	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NCoC)(CCH)(H)	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NCoC)(CCH)(H)	121.0528	0.992	6	121.0528	0.984	6	121.9170	1.969	50	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	N-3:C-3:H-1:	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NCuC)(CCH)(H)	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NCuC)(CCH)(H)	121.8040	1.452	17	121.8040	2.107	17	121.9170	1.969	50	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	N-3:C-3:H-1:	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NCuN)(CCH)(H)	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NCuN)(CCH)(H)	123.2790	0.000	1	123.2790	0.000	1	121.9170	1.969	50	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	N-3:C-3:H-1:	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NNiN)(CCH)(H)	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NNiN)(CCH)(H)	120.9050	1.410	2	120.9050	1.988	2	121.9170	1.969	50	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	N-3:C-3:H-1:	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NPdC)(CCH)(H)	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NPdC)(CCH)(H)	122.6250	2.763	2	122.6250	7.636	2	121.9170	1.969	50	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	N-3:C-3:H-1:	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NZnC)(CCH)(H)	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NZnC)(CCH)(H)	122.1282	0.485	4	122.1282	0.236	4	121.9170	1.969	50	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	N-3:C-3:H-1:	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NZnN)(CCH)(H)	C(CC[6a]H)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NZnN)(CCH)(H)	123.0740	0.000	1	123.0740	0.000	1	121.9170	1.969	50	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	N-3:C-3:O-1:	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[5a]H)(CCH)(O)	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[5a]H)(CCH)(O)	120.1035	1.822	2	120.1035	3.320	2	120.6136	1.595	24	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	N-3:C-3:O-1:	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[6]N)(CCH)(O)	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[6]N)(CCH)(O)	119.2360	0.305	2	119.2360	0.093	2	120.6136	1.595	24	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	N-3:C-3:O-1:	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]C)(CCH)(O)	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]C)(CCH)(O)	120.5430	0.334	5	120.5430	0.112	5	120.6136	1.595	24	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	N-3:C-3:O-1:	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CCH)(O)	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]H)(CCH)(O)	121.2558	1.084	13	121.2558	1.176	13	120.6136	1.595	24	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	N-3:C-3:O-1:	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]N)(CCH)(O)	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[6a]N)(CCH)(O)	118.5035	0.317	2	118.5035	0.101	2	120.6136	1.595	24	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	N[5]-3:C-3:H-1:	C(CC[6a]H)(CN[5]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(N[5]C[5]2)(CCH)(H)	C(CC[6a]H)(CN[5]H)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(N[5]C[5]2)(CCH)(H)	117.6104	1.491	5	117.6104	2.223	5	117.6104	2.223	5	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	N[5]-3:C-3:O-1:	C(CC[6a]H)(CN[5]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(N[5]C[5,6]2)(CCH)(O)	C(CC[6a]H)(CN[5]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(N[5]C[5,6]2)(CCH)(O)	120.6760	0.000	1	120.6760	0.000	1	120.9292	0.114	6	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	N[5]-3:C-3:O-1:	C(CC[6a]H)(CN[5]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(N[5]C[5]2)(CCH)(O)	C(CC[6a]H)(CN[5]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(N[5]C[5]2)(CCH)(O)	120.9798	0.351	5	120.9798	0.123	5	120.9292	0.114	6	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	N[6]-3:C-3:O-1:	C(CC[6a]H)(CN[6]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(N[6]C[6]2)(CCH)(O)	C(CC[6a]H)(CN[6]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(N[6]C[6]2)(CCH)(O)	120.9171	0.724	9	120.9171	0.524	9	120.9171	0.524	9	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:C-3:H-1:	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCH)(CCO)(H)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCH)(CCO)(H)	128.1440	0.000	1	128.1440	0.000	1	122.5953	5.041	12	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:C-3:H-1:	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCH)2(H)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCH)2(H)	122.0773	1.650	9	122.0773	2.723	9	122.5953	5.041	12	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:C-3:H-1:	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]O)(CCH)(H)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]O)(CCH)(H)	122.1520	0.262	2	122.1520	0.068	2	122.5953	5.041	12	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:N-3:H-1:	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCH)(NCC)(H)	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCH)(NCC)(H)	119.6066	0.378	8	119.6066	0.143	8	119.5803	0.131	9	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:N-3:H-1:	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a]N[6a])(CCH)(O)	C(CCH)(NCC)(H)	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a]N[6a])(CCH)(O)	C(CCH)(NCC)(H)	119.3700	0.000	1	119.3700	0.000	1	119.5803	0.131	9	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C[5]-3:C-3:H-1:	C(CC[6a]O)(CC[5]H)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(C[5]C[5]2)(CCH)(H)	C(CC[6a]O)(CC[5]H)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(C[5]C[5]2)(CCH)(H)	121.7895	0.596	2	121.7895	0.355	2	121.7895	0.355	2	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C[5a]-3:C-3:H-1:	C(CC[5a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(O)	C(C[5a]C[5a]2)(CCH)(H)	C(CC[5a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(O)	C(C[5a]C[5a]2)(CCH)(H)	121.2290	0.000	1	121.2290	0.000	1	121.2290	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C[6]-3:C-3:H-1:	C(CC[6a]O)(CC[6]H)(H)	C(C[6a]C[6a,6a]2)(CCH)(O)	C(C[6]C[6]N[6])(CCH)(H)	C(CC[6a]O)(CC[6]H)(H)	C(C[6a]C[6a,6a]2)(CCH)(O)	C(C[6]C[6]N[6])(CCH)(H)	120.0630	0.000	1	120.0630	0.000	1	119.9180	0.042	2	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C[6]-3:C-3:H-1:	C(CC[6a]O)(CC[6]H)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(C[6]C[6]2)(CCH)(H)	C(CC[6a]O)(CC[6]H)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(C[6]C[6]2)(CCH)(H)	119.7730	0.000	1	119.7730	0.000	1	119.9180	0.042	2	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C[6]-3:C-3:O-1:	C(CC[6a]O)(CC[6]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(C[6]C[6]2)(CCH)(O)	C(CC[6a]O)(CC[6]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(C[6]C[6]2)(CCH)(O)	122.8410	0.000	1	122.8410	0.000	1	122.8410	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6,6a]C[6a])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6,6a]C[6a])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	120.5713	1.222	6	120.5713	1.494	6	121.7884	2.949	27	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]2)(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]2)(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	123.4097	1.411	9	123.4097	1.991	9	121.7884	2.949	27	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	121.0630	0.638	2	121.0630	0.407	2	121.7884	2.949	27	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	121.2046	1.327	10	121.2046	1.762	10	121.7884	2.949	27	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:O-1:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(O)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(O)	C(C[6a]C[6a]2)(CCH)(O)	122.9749	2.619	15	122.9749	6.857	15	122.9749	6.857	15	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	N-3:C-3:H-1:	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(NC[6a]H)(CCH)(H)	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(NC[6a]H)(CCH)(H)	123.9160	0.000	1	123.9160	0.000	1	123.9160	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:C-1:	N-3:C-3:C-1:	C(CCN)2(H)	C(NCuN)(CCH)(C)	C(NCuN)(CCH)(C)	C(CCN)2(H)	C(NCuN)(CCH)(C)	C(NCuN)(CCH)(C)	130.5080	0.000	1	130.5080	0.000	1	130.5080	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)(CHN)(H)	C(NC[6a]C)(CCH)(H)	C(CCH)(CCO)(H)	C(CCH)(CHN)(H)	C(NC[6a]C)(CCH)(H)	C(CCH)(CCO)(H)	119.7890	0.913	4	119.7890	0.834	4	122.3960	29.594	6	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)(CHN)(H)	C(NC[6a]C)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(CCH)(CHN)(H)	C(NC[6a]C)(CCH)(H)	C(CC[5]H)(CCH)(H)	121.9570	0.000	1	121.9570	0.000	1	122.3960	29.594	6	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)(CHN)(H)	C(NTiH)(CCH)(H)	C(CCH)2(H)	C(CCH)(CHN)(H)	C(NTiH)(CCH)(H)	C(CCH)2(H)	133.2630	0.000	1	133.2630	0.000	1	122.3960	29.594	6	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:H-1:	N-3:C-3:H-1:	C(CHN)2(H)	C(NC[6a]Co)(CCH)(H)	C(NC[6a]Co)(CCH)(H)	C(CHN)2(H)	C(NC[6a]Co)(CCH)(H)	C(NC[6a]Co)(CCH)(H)	124.7690	0.000	1	124.7690	0.000	1	125.5135	2.081	11	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:H-1:	N-3:C-3:H-1:	C(CHN)2(H)	C(NC[6a]Cu)(CCH)(H)	C(NC[6a]Cu)(CCH)(H)	C(CHN)2(H)	C(NC[6a]Cu)(CCH)(H)	C(NC[6a]Cu)(CCH)(H)	126.8195	0.670	4	126.8195	0.450	4	125.5135	2.081	11	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:H-1:	N-3:C-3:H-1:	C(CHN)2(H)	C(NC[6a]Fe)(CCH)(H)	C(NC[6a]Fe)(CCH)(H)	C(CHN)2(H)	C(NC[6a]Fe)(CCH)(H)	C(NC[6a]Fe)(CCH)(H)	124.1060	1.120	2	124.1060	1.255	2	125.5135	2.081	11	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:H-1:	N-3:C-3:H-1:	C(CHN)2(H)	C(NC[6a]Ni)(CCH)(H)	C(NC[6a]Ni)(CCH)(H)	C(CHN)2(H)	C(NC[6a]Ni)(CCH)(H)	C(NC[6a]Ni)(CCH)(H)	124.4487	0.750	3	124.4487	0.563	3	125.5135	2.081	11	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:H-1:	N-3:C-3:H-1:	C(CHN)2(H)	C(NC[6a]Pt)(CCH)(H)	C(NC[6a]Pt)(CCH)(H)	C(CHN)2(H)	C(NC[6a]Pt)(CCH)(H)	C(NC[6a]Pt)(CCH)(H)	127.0430	0.000	1	127.0430	0.000	1	125.5135	2.081	11	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:C-3:Cl-1:	C(CClC)(CNO)(H)	C(NC[6]2)(CCH)(O)	C(CCH)(COO)(Cl)	C(CClC)(CNO)(H)	C(NC[6]2)(CCH)(O)	C(CCH)(COO)(Cl)	124.4030	0.000	1	124.4030	0.000	1	124.4030	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:C-3:H-1:	C(CCH)(CNO)(H)	C(NC[6]H)(CCH)(O)	C(CCC)(CCH)(H)	C(CCH)(CNO)(H)	C(NC[6]H)(CCH)(O)	C(CCC)(CCH)(H)	119.8210	0.000	1	119.8210	0.000	1	128.4936	8.711	49	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:C-3:H-1:	C(CCH)(CNO)(H)	C(NC[6]H)(CCH)(O)	C(CCH)(CNO)(H)	C(CCH)(CNO)(H)	C(NC[6]H)(CCH)(O)	C(CCH)(CNO)(H)	130.5336	5.047	5	130.5336	25.469	5	128.4936	8.711	49	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:C-3:H-1:	C(CCH)(CNO)(H)	C(NC[6]H)(CCH)(O)	C(CCH)2(H)	C(CCH)(CNO)(H)	C(NC[6]H)(CCH)(O)	C(CCH)2(H)	122.7470	0.000	1	122.7470	0.000	1	128.4936	8.711	49	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:C-3:H-1:	C(CCH)(CNO)(H)	C(NC[6a]H)(CCH)(O)	C(CCH)(CNO)(H)	C(CCH)(CNO)(H)	C(NC[6a]H)(CCH)(O)	C(CCH)(CNO)(H)	132.7265	3.177	4	132.7265	10.096	4	128.4936	8.711	49	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:C-3:H-1:	C(CCH)(CNO)(H)	C(NC[6a]H)(CCH)(O)	C(CCH)(COO)(H)	C(CCH)(CNO)(H)	C(NC[6a]H)(CCH)(O)	C(CCH)(COO)(H)	128.3334	1.031	37	128.3334	1.063	37	128.4936	8.711	49	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:C-3:H-1:	C(CCH)(CNO)(H)	C(NC[6a]H)(CCH)(O)	C(CCH)2(H)	C(CCH)(CNO)(H)	C(NC[6a]H)(CCH)(O)	C(CCH)2(H)	121.7100	0.000	1	121.7100	0.000	1	128.4936	8.711	49	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(CN[5]H)(CCH)(H)	C(N[5]C[5]2)(CCH)(H)	C(CCH)(CCO)(H)	C(CN[5]H)(CCH)(H)	C(N[5]C[5]2)(CCH)(H)	C(CCH)(CCO)(H)	119.4130	0.619	2	119.4130	0.384	2	120.3295	1.917	4	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(CN[5]H)(CCH)(H)	C(N[5]C[5]2)(CCH)(H)	C(CCH)(CHH)(H)	C(CN[5]H)(CCH)(H)	C(N[5]C[5]2)(CCH)(H)	C(CCH)(CHH)(H)	122.2480	0.000	1	122.2480	0.000	1	120.3295	1.917	4	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(CN[5]H)(CCH)(H)	C(N[5]C[5]2)(CCH)(H)	C(CCH)2(H)	C(CN[5]H)(CCH)(H)	C(N[5]C[5]2)(CCH)(H)	C(CCH)2(H)	120.2440	0.000	1	120.2440	0.000	1	120.3295	1.917	4	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C-3:C-3:Br-1:	C(CN[5]O)(CBrC)(H)	C(N[5]C[5,6a]C[5])(CCH)(O)	C(CCH)(CCO)(Br)	C(CN[5]O)(CBrC)(H)	C(N[5]C[5,6a]C[5])(CCH)(O)	C(CCH)(CCO)(Br)	129.4800	0.093	2	129.4800	0.009	2	129.1110	0.413	3	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C-3:C-3:Br-1:	C(CN[5]O)(CBrC)(H)	C(N[5]C[5]N[5])(CCH)(O)	C(CCH)(COO)(Br)	C(CN[5]O)(CBrC)(H)	C(N[5]C[5]N[5])(CCH)(O)	C(CCH)(COO)(Br)	128.3730	0.000	1	128.3730	0.000	1	129.1110	0.413	3	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C-3:C-3:H-1:	C(CN[5]O)(CCH)(H)	C(N[5]C[5,5]S[5])(CCH)(O)	C(CN[5]O)(CCH)(H)	C(CN[5]O)(CCH)(H)	C(N[5]C[5,5]S[5])(CCH)(O)	C(CN[5]O)(CCH)(H)	119.3990	1.011	5	119.3990	1.022	5	122.9371	17.406	10	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C-3:C-3:H-1:	C(CN[5]O)(CCH)(H)	C(N[5]C[5]2)(CCH)(O)	C(CCH)(COO)(H)	C(CN[5]O)(CCH)(H)	C(N[5]C[5]2)(CCH)(O)	C(CCH)(COO)(H)	127.1915	1.602	2	127.1915	2.565	2	122.9371	17.406	10	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C-3:C-3:H-1:	C(CN[5]O)(CCH)(H)	C(N[5]C[5]2)(CCH)(O)	C(CCH)2(H)	C(CN[5]O)(CCH)(H)	C(N[5]C[5]2)(CCH)(O)	C(CCH)2(H)	122.0750	0.000	1	122.0750	0.000	1	122.9371	17.406	10	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C-3:C-3:H-1:	C(CN[5]O)(CCH)(H)	C(N[5]C[5]N[5])(CCH)(O)	C(CCH)(COO)(H)	C(CN[5]O)(CCH)(H)	C(N[5]C[5]N[5])(CCH)(O)	C(CCH)(COO)(H)	127.9590	0.174	2	127.9590	0.030	2	122.9371	17.406	10	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5,5,6]S[5])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5,5,6]S[5])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	120.3790	0.000	1	120.3790	0.000	1	119.6841	0.913	7	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5,6]C[5])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5,6]C[5])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	119.6180	0.083	2	119.6180	0.007	2	119.6841	0.913	7	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5,6a]C[5])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5,6a]C[5])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	117.6290	0.000	1	117.6290	0.000	1	119.6841	0.913	7	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5,6a]N[5])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5,6a]N[5])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	120.0800	0.000	1	120.0800	0.000	1	119.6841	0.913	7	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5]N[5])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5]N[5])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	120.2370	0.000	1	120.2370	0.000	1	119.6841	0.913	7	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5]S[5])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5]S[5])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	120.2280	0.000	1	120.2280	0.000	1	119.6841	0.913	7	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N[5]-3:C-3:Se-1:	C-3:C-3:H-1:	C(CN[5]Se)(CCH)(H)	C(N[5]C[5]2)(CCH)(Se)	C(CCH)2(H)	C(CN[5]Se)(CCH)(H)	C(N[5]C[5]2)(CCH)(Se)	C(CCH)2(H)	126.1105	2.090	2	126.1105	4.366	2	126.1105	4.366	2	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CN[5a]H)(CCH)(H)	C(N[5a]C[5a]2)(CCH)(H)	C(CC[5a]H)(CCH)(H)	C(CN[5a]H)(CCH)(H)	C(N[5a]C[5a]2)(CCH)(H)	C(CC[5a]H)(CCH)(H)	121.1430	0.305	2	121.1430	0.093	2	121.1430	0.093	2	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N[5a]-3:C-3:H-1:	C-3:N-3:O-1:	C(CN[5a]H)(CNO)(H)	C(N[5a]C[5a]N[5a])(CCH)(H)	C(CCH)(NCC)(O)	C(CN[5a]H)(CNO)(H)	C(N[5a]C[5a]N[5a])(CCH)(H)	C(CCH)(NCC)(O)	132.0570	0.000	1	132.0570	0.000	1	132.0570	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N[5a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CN[5a]H)(H)	C(N[5a]B[5a]N[5a])(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CN[5a]H)(H)	C(N[5a]B[5a]N[5a])(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	121.3595	0.033	2	121.3595	0.001	2	119.0613	7.420	4	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N[5a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CN[5a]H)(H)	C(N[5a]C[5a,6a]2)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CN[5a]H)(H)	C(N[5a]C[5a,6a]2)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(H)	116.7630	1.063	2	116.7630	1.131	2	119.0613	7.420	4	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N[5a]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CN[5a]O)(H)	C(N[5a]C[5a,6a]C[5a])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CN[5a]O)(H)	C(N[5a]C[5a,6a]C[5a])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	120.0575	0.285	2	120.0575	0.081	2	120.0575	0.081	2	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(CN[6]H)(CCH)(H)	C(N[6]C[6]2)(CCH)(H)	C(CCH)(CCO)(H)	C(CN[6]H)(CCH)(H)	C(N[6]C[6]2)(CCH)(H)	C(CCH)(CCO)(H)	118.0970	0.000	1	118.0970	0.000	1	118.0970	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N[6]-3:C-3:O-1:	C-3:C-3:H-1:	C(CN[6]O)(CCH)(H)	C(N[6]C[6]2)(CCH)(O)	C(CCH)2(H)	C(CN[6]O)(CCH)(H)	C(N[6]C[6]2)(CCH)(O)	C(CCH)2(H)	120.8933	0.528	7	120.8933	0.279	7	120.8933	0.279	7	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:H-1:	N[6]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CN[6]O)(H)	C(N[6]C[5,6]C[6])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CN[6]O)(H)	C(N[6]C[5,6]C[6])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	117.5395	0.525	2	117.5395	0.276	2	117.5395	0.276	2	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:I-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(I)	C(CCH)(CCI)(H)	C(CCH)(CCI)(H)	C(CCH)2(I)	C(CCH)(CCI)(H)	C(CCH)(CCI)(H)	127.5940	0.000	1	127.5940	0.000	1	127.5940	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:I-1:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(CCH)(CCO)(I)	C(CCH)(CCI)(H)	C(CCI)(CCO)(O)	C(CCH)(CCO)(I)	C(CCH)(CCI)(H)	C(CCI)(CCO)(O)	131.0000	0.000	1	131.0000	0.000	1	131.0000	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:I-1:	C[6a]-3:C-3:O-1:	C-3:C-3:I-1:	C(CC[6a]O)(CCI)(I)	C(C[6a]C[6a]2)(CCI)(O)	C(CC[6a]O)(CCI)(I)	C(CC[6a]O)(CCI)(I)	C(C[6a]C[6a]2)(CCI)(O)	C(CC[6a]O)(CCI)(I)	123.4790	0.000	1	123.4790	0.000	1	123.4790	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:O-1:	C-3:C-3:Br-1:	C-3:C-3:Br-1:	C(CBrC)2(O)	C(CCH)(CCO)(Br)	C(CCH)(CCO)(Br)	C(CBrC)2(O)	C(CCH)(CCO)(Br)	C(CCH)(CCO)(Br)	118.7280	0.000	1	118.7280	0.000	1	118.7280	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:O-1:	C-3:C-3:Br-1:	C-3:C-3:H-1:	C(CBrC)(CCH)(O)	C(CCH)(CCO)(Br)	C(CCH)(CCO)(H)	C(CBrC)(CCH)(O)	C(CCH)(CCO)(Br)	C(CCH)(CCO)(H)	120.9810	0.000	1	120.9810	0.000	1	120.9810	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:O-1:	C-3:C-3:Cl-1:	C-3:C-3:H-1:	C(CClC)(CCH)(O)	C(CCO)(CHO)(Cl)	C(CCH)(CCO)(H)	C(CClC)(CCH)(O)	C(CCO)(CHO)(Cl)	C(CCH)(CCO)(H)	118.1565	1.139	2	118.1565	1.298	2	118.1565	1.298	2	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:O-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(O)	C(CCH)(CCO)(H)	C(CCH)(CCO)(H)	C(CCH)2(O)	C(CCH)(CCO)(H)	C(CCH)(CCO)(H)	121.6630	0.000	1	121.6630	0.000	1	118.9519	6.245	62	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:O-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(O)	C(CCN)(CCO)(H)	C(CCO)2(H)	C(CCH)2(O)	C(CCN)(CCO)(H)	C(CCO)2(H)	119.8117	0.558	3	119.8117	0.311	3	118.9519	6.245	62	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:O-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(O)	C(CC[5a]H)(CCO)(H)	C(CC[5a]H)(CCO)(H)	C(CCH)2(O)	C(CC[5a]H)(CCO)(H)	C(CC[5a]H)(CCO)(H)	117.0970	0.361	2	117.0970	0.130	2	118.9519	6.245	62	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:O-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(O)	C(CC[6a]2)(CCO)(H)	C(CC[6a]H)(CCO)(H)	C(CCH)2(O)	C(CC[6a]2)(CCO)(H)	C(CC[6a]H)(CCO)(H)	121.2105	1.262	6	121.2105	1.591	6	118.9519	6.245	62	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:O-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(O)	C(CC[6a]H)(CCO)(H)	C(CCO)2(H)	C(CCH)2(O)	C(CC[6a]H)(CCO)(H)	C(CCO)2(H)	120.9425	1.636	11	120.9425	2.678	11	118.9519	6.245	62	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:O-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(O)	C(CC[6a]H)(CCO)(H)	C(CC[6]H)(CCO)(H)	C(CCH)2(O)	C(CC[6a]H)(CCO)(H)	C(CC[6]H)(CCO)(H)	120.8290	0.000	1	120.8290	0.000	1	118.9519	6.245	62	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:O-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(O)	C(CC[6a]H)(CCO)(H)	C(CC[6a]H)(CCO)(H)	C(CCH)2(O)	C(CC[6a]H)(CCO)(H)	C(CC[6a]H)(CCO)(H)	117.8940	2.414	37	117.8940	5.829	37	118.9519	6.245	62	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:O-1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(O)	C(CIrH)(CCO)(H)	C(CIrH)(CCO)(H)	C(CCH)2(O)	C(CIrH)(CCO)(H)	C(CIrH)(CCO)(H)	119.1910	0.000	1	119.1910	0.000	1	118.9519	6.245	62	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:O-1:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(CCH)(CCO)(O)	C(CCH)(CCO)(H)	C(CCH)(CCO)(O)	C(CCH)(CCO)(O)	C(CCH)(CCO)(H)	C(CCH)(CCO)(O)	124.7803	0.423	6	124.7803	0.179	6	122.6723	15.370	8	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:O-1:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(CCH)(CCO)(O)	C(CC[5a]H)(CCO)(H)	C(CCH)(CCO)(O)	C(CCH)(CCO)(O)	C(CC[5a]H)(CCO)(H)	C(CCH)(CCO)(O)	116.3480	0.206	2	116.3480	0.043	2	122.6723	15.370	8	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:O-1:	C-3:C-3:H-1:	C-3:N-3:O-1:	C(CCH)(CNO)(O)	C(CCO)(CHN)(H)	C(CCO)(NCH)(O)	C(CCH)(CNO)(O)	C(CCO)(CHN)(H)	C(CCO)(NCH)(O)	116.0275	0.121	2	116.0275	0.015	2	116.0275	0.015	2	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:O-1:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCH)(O)	C(C[6]C[5,6]C[6])(CCO)(H)	C(CC[5]C)(CCO)(H)	C(CC[6]H)(CCH)(O)	C(C[6]C[5,6]C[6])(CCO)(H)	C(CC[5]C)(CCO)(H)	123.2004	1.120	8	123.2004	1.255	8	122.5049	3.126	10	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:O-1:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCH)(O)	C(C[6]C[6]2)(CCO)(H)	C(CCH)(CCO)(H)	C(CC[6]H)(CCH)(O)	C(C[6]C[6]2)(CCO)(H)	C(CCH)(CCO)(H)	119.7230	0.000	2	119.7230	0.000	2	122.5049	3.126	10	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:1:	C-3:C-3:O-1:	C[6a]-3:C-3:O-1:	N-3:C-3:O-1:	C(CC[6a]O)(CNO)(O)	C(C[6a]C[6a]2)(CCO)(O)	C(NC[6a]H)(CCO)(O)	C(CC[6a]O)(CNO)(O)	C(C[6a]C[6a]2)(CCO)(O)	C(NC[6a]H)(CCO)(O)	116.0410	0.000	1	116.0410	0.000	1	116.0410	0.000	1	125.0571	18.076	3040	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C-3:C-3:Cl-1:	C-3:C-3:O-2:	C(CClC)(CCO)(H)	C(CClC)(CCH)(Cl)	C(CCC)(CCH)(OH)	C(CClC)(CCO)(H)	C(CClC)(CCH)(Cl)	C(CCC)(CCH)(OH)	130.3795	0.397	2	130.3795	0.157	2	130.3795	0.157	2	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:C-2:	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	C(CCH)2(CN)	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	C(CCH)2(CN)	124.2730	0.000	1	124.2730	0.000	1	127.1846	5.401	5	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:C-2:	C(CCC)(CCH)(H)	C(CCH)(CCO)(H)	C(CCH)2(CN)	C(CCC)(CCH)(H)	C(CCH)(CCO)(H)	C(CCH)2(CN)	129.2890	1.172	2	129.2890	1.374	2	127.1846	5.401	5	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:C-2:	C(CCC)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(CCH)(CNO)(CN)	C(CCC)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(CCH)(CNO)(CN)	127.5490	0.000	1	127.5490	0.000	1	127.1846	5.401	5	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:C-2:	C(CCC)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(CCH)2(CN)	C(CCC)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(CCH)2(CN)	125.5230	0.000	1	125.5230	0.000	1	127.1846	5.401	5	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:N-2:	C(CCH)(CCN)(H)	C(CCH)(CCO)(H)	C(CCH)2(NN)	C(CCH)(CCN)(H)	C(CCH)(CCO)(H)	C(CCH)2(NN)	129.5718	1.083	4	129.5718	1.172	4	129.5718	1.172	4	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C(CCH)(CCO)(H)	C(CCC)(CCH)(H)	C(CCH)2(OH)	C(CCH)(CCO)(H)	C(CCC)(CCH)(H)	C(CCH)2(OH)	127.8450	0.188	2	127.8450	0.035	2	129.7990	2.689	21	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C(CCH)(CCO)(H)	C(CCH)(CCO)(H)	C(CCH)2(OC)	C(CCH)(CCO)(H)	C(CCH)(CCO)(H)	C(CCH)2(OC)	129.0987	0.906	6	129.0987	0.821	6	129.7990	2.689	21	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C(CCH)(CCO)(H)	C(CCH)(CCO)(H)	C(CCH)2(OH)	C(CCH)(CCO)(H)	C(CCH)(CCO)(H)	C(CCH)2(OH)	129.9365	0.573	2	129.9365	0.329	2	129.7990	2.689	21	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C(CCH)(CCO)(H)	C(CC[5]C)(CCH)(H)	C(CCH)(CCN)(OCu)	C(CCH)(CCO)(H)	C(CC[5]C)(CCH)(H)	C(CCH)(CCN)(OCu)	131.7453	0.940	3	131.7453	0.883	3	129.7990	2.689	21	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C(CCH)(CCO)(H)	C(CC[5]C)(CCH)(H)	C(CCH)(CCO)(OC)	C(CCH)(CCO)(H)	C(CC[5]C)(CCH)(H)	C(CCH)(CCO)(OC)	132.2540	0.000	1	132.2540	0.000	1	129.7990	2.689	21	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C(CCH)(CCO)(H)	C(CC[5]C)(CCH)(H)	C(CCH)(CCO)(OH)	C(CCH)(CCO)(H)	C(CC[5]C)(CCH)(H)	C(CCH)(CCO)(OH)	131.5990	0.000	1	131.5990	0.000	1	129.7990	2.689	21	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C(CCH)(CCO)(H)	C(CC[5x3,5x5,20x6]H)(CCH)(H)	C(CCH)2(OC)	C(CCH)(CCO)(H)	C(CC[5x3,5x5,20x6]H)(CCH)(H)	C(CCH)2(OC)	126.4520	0.000	1	126.4520	0.000	1	129.7990	2.689	21	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C(CCH)(CCO)(H)	C(CC[6a]C)(CCH)(H)	C(CCH)(CCO)(OC)	C(CCH)(CCO)(H)	C(CC[6a]C)(CCH)(H)	C(CCH)(CCO)(OC)	130.7257	0.705	3	130.7257	0.498	3	129.7990	2.689	21	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C(CCH)(CCO)(H)	C(CN[6]C)(CCH)(H)	C(CCH)2(OC)	C(CCH)(CCO)(H)	C(CN[6]C)(CCH)(H)	C(CCH)2(OC)	128.9535	0.285	2	128.9535	0.081	2	129.7990	2.689	21	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:C-3:C-2:	C(CC[5]H)(CCC)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCC)(CCH)(CN)	C(CC[5]H)(CCC)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCC)(CCH)(CN)	129.2410	0.000	1	129.2410	0.000	1	129.8010	0.310	3	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:C-3:C-2:	C(CC[5]H)(CCC)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCH)2(CC)	C(CC[5]H)(CCC)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCH)2(CC)	130.0810	0.386	2	130.0810	0.149	2	129.8010	0.310	3	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:C-3:N-2:	C(CC[5]H)(CCN)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCH)2(NN)	C(CC[5]H)(CCN)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCH)2(NN)	129.2342	0.528	6	129.2342	0.278	6	129.2342	0.278	6	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:C-3:O-2:	C(CC[5]H)(CCO)(H)	C(C[5]C[5]N[5])(CCH)(H)	C(CCH)2(OC)	C(CC[5]H)(CCO)(H)	C(C[5]C[5]N[5])(CCH)(H)	C(CCH)2(OC)	126.7070	0.000	1	126.7070	0.000	1	126.7070	0.000	1	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:C-3:S-2:	C(CC[5]H)(CCS)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCH)2(SAu)	C(CC[5]H)(CCS)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCH)2(SAu)	130.6790	0.364	4	130.6790	0.132	4	129.9000	0.990	8	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:C-3:S-2:	C(CC[5]H)(CCS)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCH)2(SH)	C(CC[5]H)(CCS)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCH)2(SH)	129.1210	0.748	4	129.1210	0.559	4	129.9000	0.990	8	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:C-3:O-2:	C(CC[5a]H)(CCO)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	C(CCH)2(OH)	C(CC[5a]H)(CCO)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	C(CCH)2(OH)	123.8380	0.000	1	123.8380	0.000	1	123.0967	0.848	3	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:C-3:O-2:	C(CC[5a]H)(CCO)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CCH)2(OH)	C(CC[5a]H)(CCO)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CCH)2(OH)	122.7260	0.933	2	122.7260	0.871	2	123.0967	0.848	3	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:N-2:	C(CC[5a]H)(CC[6a]N)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(C[6a]C[6a]2)(CCH)(NN)	C(CC[5a]H)(CC[6a]N)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(C[6a]C[6a]2)(CCH)(NN)	124.2680	0.000	1	124.2680	0.000	1	124.2680	0.000	1	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C(CC[5a]H)(CC[6a]O)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	C(CC[5a]H)(CC[6a]O)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	122.7130	0.513	2	122.7130	0.264	2	122.7130	0.264	2	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:C-3:O-2:	C(CC[5a]O)(CCO)(H)	C(C[5a]C[5a]2)(CCH)(O)	C(CCH)(COO)(OH)	C(CC[5a]O)(CCO)(H)	C(C[5a]C[5a]2)(CCH)(O)	C(CCH)(COO)(OH)	119.2700	0.000	1	119.2700	0.000	1	119.2700	0.000	1	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:C-3:S-2:	C(CC[5a]O)(CCS)(H)	C(C[5a]C[5a]S[5a])(CCH)(O)	C(CC[5a]O)(CCH)(SC)	C(CC[5a]O)(CCS)(H)	C(C[5a]C[5a]S[5a])(CCH)(O)	C(CC[5a]O)(CCH)(SC)	123.3090	0.096	2	123.3090	0.009	2	123.3823	0.021	3	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:C-3:S-2:	C(CC[5a]O)(CCS)(H)	C(C[5a]C[5a]S[5a])(CCH)(O)	C(CC[6a]O)(CCH)(SC)	C(CC[5a]O)(CCS)(H)	C(C[5a]C[5a]S[5a])(CCH)(O)	C(CC[6a]O)(CCH)(SC)	123.5290	0.000	1	123.5290	0.000	1	123.3823	0.021	3	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C[6a]-3:C-3:O-2:	C(CC[5a]O)(CC[6a]O)(H)	C(C[5a]C[5a]O[5a])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(OH)	C(CC[5a]O)(CC[6a]O)(H)	C(C[5a]C[5a]O[5a])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(OH)	120.7067	0.496	4	120.7067	0.246	4	120.6084	0.233	5	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C[6a]-3:C-3:O-2:	C(CC[5a]O)(CC[6a]O)(H)	C(C[5a]C[5a]S[5a])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(OH)	C(CC[5a]O)(CC[6a]O)(H)	C(C[5a]C[5a]S[5a])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(OH)	120.2150	0.000	1	120.2150	0.000	1	120.6084	0.233	5	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C[6a]-3:C-3:S-2:	C(CC[5a]O)(CC[6a]S)(H)	C(C[5a]C[5a]O[5a])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(SC)	C(CC[5a]O)(CC[6a]S)(H)	C(C[5a]C[5a]O[5a])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(SC)	125.1085	0.183	4	125.1085	0.033	4	125.1085	0.033	4	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:C-2:	C(CC[6a]C)(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(CCH)(H)	C(C[6a]C[6a]2)(CCH)(CC)	C(CC[6a]C)(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(CCH)(H)	C(C[6a]C[6a]2)(CCH)(CC)	123.6080	0.000	1	123.6080	0.000	1	123.6080	0.000	1	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:C-2:	C(CC[6a]H)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)2(CC)	C(CC[6a]H)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)2(CC)	125.7140	0.000	1	125.7140	0.000	1	125.7140	0.000	1	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:N-2:	C(CC[6a]H)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(COO)(NS)	C(CC[6a]H)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(COO)(NS)	123.5780	0.000	1	123.5780	0.000	1	123.5780	0.000	1	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:O-2:	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a,6a]2)(CCH)(H)	C(CCH)2(OZn)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a,6a]2)(CCH)(H)	C(CCH)2(OZn)	123.0605	0.337	2	123.0605	0.114	2	123.1984	1.723	32	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:O-2:	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCC)(CCH)(OH)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCC)(CCH)(OH)	121.2450	0.000	1	121.2450	0.000	1	123.1984	1.723	32	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:O-2:	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)2(OB)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)2(OB)	123.4830	1.581	2	123.4830	2.500	2	123.1984	1.723	32	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:O-2:	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)2(OC)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)2(OC)	125.3840	0.000	1	125.3840	0.000	1	123.1984	1.723	32	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:O-2:	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)2(OFe)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)2(OFe)	122.0650	0.000	1	122.0650	0.000	1	123.1984	1.723	32	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:O-2:	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)2(OH)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)2(OH)	123.2007	1.218	20	123.2007	1.483	20	123.1984	1.723	32	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:O-2:	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)2(ORh)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)2(ORh)	122.4275	1.678	2	122.4275	2.816	2	123.1984	1.723	32	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:O-2:	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)2(ORu)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)2(ORu)	123.4670	2.438	2	123.4670	5.944	2	123.1984	1.723	32	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:O-2:	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)2(OS)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)2(OS)	124.7640	0.000	1	124.7640	0.000	1	123.1984	1.723	32	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:N-3:N-2:	C(CC[6a]H)(CNN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(NCC)(NS)	C(CC[6a]H)(CNN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(NCC)(NS)	123.4370	0.000	1	123.4370	0.000	1	123.4370	0.000	1	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C[5]-3:C-3:O-2:	C(CC[6a]H)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(C[5]C[5]2)(CCH)(OC)	C(CC[6a]H)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(C[5]C[5]2)(CCH)(OC)	123.0320	0.000	1	123.0320	0.000	1	122.4329	0.597	11	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C[5]-3:C-3:O-2:	C(CC[6a]H)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(C[5]C[5]2)(CCH)(OH)	C(CC[6a]H)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(C[5]C[5]2)(CCH)(OH)	122.3730	0.787	10	122.3730	0.620	10	122.4329	0.597	11	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C[6]-3:C-3:O-2:	C(CC[6a]H)(CC[6]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(C[6]C[6]2)(CCH)(OH)	C(CC[6a]H)(CC[6]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(C[6]C[6]2)(CCH)(OH)	120.6780	3.096	2	120.6780	9.583	2	120.6780	9.583	2	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]2)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]2)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	124.1880	0.000	1	124.1880	0.000	1	123.7200	0.438	2	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	123.2520	0.000	1	123.2520	0.000	1	123.7200	0.438	2	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	N-3:C-3:O-2:	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[5]H)(CCH)(OCd)	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[5]H)(CCH)(OCd)	124.1090	2.928	3	124.1090	8.574	3	123.9727	5.790	4	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	N-3:C-3:O-2:	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[5a]H)(CCH)(OMn)	C(CC[6a]H)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(NC[5a]H)(CCH)(OMn)	123.5640	0.000	1	123.5640	0.000	1	123.9727	5.790	4	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:C-3:O-2:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCH)(CCO)(OH)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCH)(CCO)(OH)	119.7395	0.069	2	119.7395	0.005	2	120.5628	0.618	11	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:C-3:O-2:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCH)(COO)(OH)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCH)(COO)(OH)	120.8910	0.000	1	120.8910	0.000	1	120.5628	0.618	11	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:C-3:O-2:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCH)2(OH)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCH)2(OH)	120.7276	0.801	8	120.7276	0.642	8	120.5628	0.618	11	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:C-3:S-2:	C(CC[6a]O)(CCS)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]O)(CCH)(SC)	C(CC[6a]O)(CCS)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]O)(CCH)(SC)	122.5372	1.607	5	122.5372	2.582	5	122.5372	2.582	5	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:O-2:	C(CC[6a]O)2(H)	C(C[6a]C[6a]N[6a])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(OH)	C(CC[6a]O)2(H)	C(C[6a]C[6a]N[6a])(CCH)(O)	C(C[6a]C[6a]2)(CCH)(OH)	119.0290	0.000	1	119.0290	0.000	1	119.0290	0.000	1	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-3:C-3:N-2:	C(CCN)(CHN)(H)	C(NC[6]H)(CCH)(H)	C(CCH)(CHH)(NC)	C(CCN)(CHN)(H)	C(NC[6]H)(CCH)(H)	C(CCH)(CHH)(NC)	121.1130	0.000	1	121.1130	0.000	1	121.1130	0.000	1	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-3:C-3:O-2:	C(CCO)(CNO)(H)	C(NC[6a]S)(CCH)(O)	C(CCC)(CCH)(OC)	C(CCO)(CNO)(H)	C(NC[6a]S)(CCH)(O)	C(CCC)(CCH)(OC)	124.8010	0.000	1	124.8010	0.000	1	124.8010	0.000	1	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C-3:C-3:O-2:	C(CN[5]O)(CCO)(H)	C(N[5]C[5,6a]C[5])(CCH)(O)	C(CCH)(CCO)(OC)	C(CN[5]O)(CCO)(H)	C(N[5]C[5,6a]C[5])(CCH)(O)	C(CCH)(CCO)(OC)	126.5535	0.301	2	126.5535	0.090	2	126.5535	0.090	2	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:2:	C-3:C-3:O-1:	C-3:C-3:Br-1:	C-3:C-3:O-2:	C(CBrC)(CCO)(O)	C(CCH)(CCO)(Br)	C(CCH)(CCO)(OS)	C(CBrC)(CCO)(O)	C(CCH)(CCO)(Br)	C(CCH)(CCO)(OS)	118.7980	0.000	1	118.7980	0.000	1	118.7980	0.000	1	124.9945	13.402	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:C-3:	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	C(CCC)(CCH)2	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	C(CCC)(CCH)2	125.2413	0.423	4	125.2413	0.179	4	128.2282	7.880	11	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:C-3:	C(CCC)(CCH)(H)	C(CCH)(CCN)(H)	C(CCH)2(COO)	C(CCC)(CCH)(H)	C(CCH)(CCN)(H)	C(CCH)2(COO)	130.2790	0.000	1	130.2790	0.000	1	128.2282	7.880	11	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:C-3:	C(CCC)(CCH)(H)	C(CCH)(CCO)(H)	C(CCH)2(COO)	C(CCC)(CCH)(H)	C(CCH)(CCO)(H)	C(CCH)2(COO)	130.2550	0.000	1	130.2550	0.000	1	128.2282	7.880	11	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:C-3:	C(CCC)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(CCH)(CCO)2	C(CCC)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(CCH)(CCO)2	127.9535	0.112	2	127.9535	0.013	2	128.2282	7.880	11	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:C-3:	C(CCC)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(CClC)(CCH)(COO)	C(CCC)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(CClC)(CCH)(COO)	128.3930	0.000	1	128.3930	0.000	1	128.2282	7.880	11	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:C-3:	C(CCC)(CCH)(H)	C(CN[6]C)(CCH)(H)	C(CCC)(CCH)2	C(CCC)(CCH)(H)	C(CN[6]C)(CCH)(H)	C(CCC)(CCH)2	132.3555	0.070	2	132.3555	0.005	2	128.2282	7.880	11	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:N-3:	C(CCH)(CCN)(H)	C(CCH)(CCO)(H)	C(CCH)2(NOO)	C(CCH)(CCN)(H)	C(CCH)(CCO)(H)	C(CCH)2(NOO)	128.5033	0.996	6	128.5033	0.992	6	129.8122	4.483	9	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:N-3:	C(CCH)(CCN)(H)	C(CC[5]C)(CCH)(H)	C(CCH)(CCO)(NCH)	C(CCH)(CCN)(H)	C(CC[5]C)(CCH)(H)	C(CCH)(CCO)(NCH)	132.6300	0.000	1	132.6300	0.000	1	129.8122	4.483	9	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-3:C-3:N-3:	C(CCH)(CCN)(H)	C(CC[6a]C)(CCH)(H)	C(CCH)(CCO)(NHH)	C(CCH)(CCN)(H)	C(CC[6a]C)(CCH)(H)	C(CCH)(CCO)(NHH)	132.3300	0.041	2	132.3300	0.002	2	129.8122	4.483	9	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]2)(CCH)(H)	C(CC[6a]C[6])(CCH)(H)	C(C[6a]C[6a]2)2(CCH)	C(CC[6a]2)(CCH)(H)	C(CC[6a]C[6])(CCH)(H)	C(C[6a]C[6a]2)2(CCH)	124.9380	0.000	1	124.9380	0.000	1	124.9380	0.000	1	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	C-3:C-3:H-1:	N-3:C-3:C-3:	C(CCH)(CCN)(H)	C(CC[5]C)(CCH)(H)	C(NCuC)(CCH)(CCO)	C(CCH)(CCN)(H)	C(CC[5]C)(CCH)(H)	C(NCuC)(CCH)(CCO)	132.5190	0.621	2	132.5190	0.385	2	132.5190	0.385	2	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:C-3:C-3:	C(CC[5]H)(CCC)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCC)(CCH)(COO)	C(CC[5]H)(CCC)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCC)(CCH)(COO)	131.0030	0.000	1	131.0030	0.000	1	129.9936	0.621	25	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:C-3:C-3:	C(CC[5]H)(CCC)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCC)(CCH)2	C(CC[5]H)(CCC)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCC)(CCH)2	130.1740	0.598	20	130.1740	0.358	20	129.9936	0.621	25	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-3:C-3:C-3:	C(CC[5]H)(CCC)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCH)2(COO)	C(CC[5]H)(CCC)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCH)2(COO)	128.8388	0.606	4	128.8388	0.367	4	129.9936	0.621	25	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C[5]-3:C-3:C-3:	C(CC[5]C)(CC[5]H)(H)	C(C[5]C[5]2)(CCH)(H)	C(C[5]C[5]2)(CCH)2	C(CC[5]C)(CC[5]H)(H)	C(C[5]C[5]2)(CCH)(H)	C(C[5]C[5]2)(CCH)2	130.3010	0.358	4	130.3010	0.128	4	130.3010	0.128	4	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]2)(CC[5]H)(H)	C(C[5]C[5]2)(CCH)(H)	C(C[6a]C[6a]2)2(CCH)	C(CC[6a]2)(CC[5]H)(H)	C(C[5]C[5]2)(CCH)(H)	C(C[6a]C[6a]2)2(CCH)	126.5873	1.494	3	126.5873	2.231	3	126.5873	2.231	3	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	N[5]-3:C-3:C-3:	C(CC[5]H)(CN[5]C)(H)	C(C[5]C[5]2)(CCH)(H)	C(N[5]C[5]2)(CCH)2	C(CC[5]H)(CN[5]C)(H)	C(C[5]C[5]2)(CCH)(H)	C(N[5]C[5]2)(CCH)2	130.2850	0.058	2	130.2850	0.003	2	130.2850	0.003	2	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	C[5]-3:C-3:O-1:	C-3:C-3:C-3:	C(CC[5]O)(CCC)(H)	C(C[5]C[5]2)(CCH)(O)	C(CCH)2(COO)	C(CC[5]O)(CCC)(H)	C(C[5]C[5]2)(CCH)(O)	C(CCH)2(COO)	130.3290	0.000	1	130.3290	0.000	1	130.3290	0.000	1	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	C[5]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]2)(CC[5]O)(H)	C(C[5]C[5]N[5])(CCH)(O)	C(C[6a]C[6a]2)2(CCH)	C(CC[6a]2)(CC[5]O)(H)	C(C[5]C[5]N[5])(CCH)(O)	C(C[6a]C[6a]2)2(CCH)	127.6860	0.000	1	127.6860	0.000	1	127.6860	0.000	1	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-3:C-3:N-3:	C(CC[5a]H)(CCN)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CCC)(CCH)(NCC)	C(CC[5a]H)(CCN)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CCC)(CCH)(NCC)	123.3670	0.000	1	123.3670	0.000	1	123.3670	0.000	1	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C-3:C-3:C-3:	C(CC[5a]O)(CCC)(H)	C(C[5a]C[5a]2)(CCH)(O)	C(CC[6a]O)(CCH)(COO)	C(CC[5a]O)(CCC)(H)	C(C[5a]C[5a]2)(CCH)(O)	C(CC[6a]O)(CCH)(COO)	122.4330	0.000	1	122.4330	0.000	1	122.4330	0.000	1	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]2)(CC[6]H)(H)	C(C[6]C[5a,6]C[6])(CCH)(H)	C(C[6a]C[6a]2)2(CCH)	C(CC[6a]2)(CC[6]H)(H)	C(C[6]C[5a,6]C[6])(CCH)(H)	C(C[6a]C[6a]2)2(CCH)	125.7240	0.180	2	125.7240	0.032	2	126.3622	1.039	5	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]2)(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(CCH)(H)	C(C[6a]C[6a]2)2(CCH)	C(CC[6a]2)(CC[6]H)(H)	C(C[6]C[6,6a]C[6])(CCH)(H)	C(C[6a]C[6a]2)2(CCH)	127.4665	0.026	2	127.4665	0.001	2	126.3622	1.039	5	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]2)(CC[6]H)(H)	C(C[6]C[6]2)(CCH)(H)	C(C[6a]C[6a]2)2(CCH)	C(CC[6a]2)(CC[6]H)(H)	C(C[6]C[6]2)(CCH)(H)	C(C[6a]C[6a]2)2(CCH)	125.4300	0.000	1	125.4300	0.000	1	126.3622	1.039	5	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:C-3:	C(CC[6a]H)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCC)(CCH)2	C(CC[6a]H)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCC)(CCH)2	126.8090	2.268	4	126.8090	5.146	4	127.2203	3.386	10	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:C-3:	C(CC[6a]H)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)2(COO)	C(CC[6a]H)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)2(COO)	127.5980	0.000	1	127.5980	0.000	1	127.2203	3.386	10	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:C-3:	C(CC[6a]H)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]2)(CCH)(CCP)	C(CC[6a]H)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]2)(CCH)(CCP)	129.3700	0.000	1	129.3700	0.000	1	127.2203	3.386	10	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:C-3:	C(CC[6a]H)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]C)(CCC)(CCH)	C(CC[6a]H)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]C)(CCC)(CCH)	125.5425	0.401	2	125.5425	0.161	2	127.2203	3.386	10	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:C-3:	C(CC[6a]H)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCH)(COO)	C(CC[6a]H)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCH)(COO)	128.4570	0.865	2	128.4570	0.749	2	127.2203	3.386	10	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-3:N-3:	C(CC[6a]H)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)2(NHS)	C(CC[6a]H)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)2(NHS)	121.8620	0.000	1	121.8620	0.000	1	121.8620	0.000	1	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:C-3:C-3:	C(CC[6a]O)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCH)(CCO)2	C(CC[6a]O)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCH)(CCO)2	121.9865	0.028	2	121.9865	0.001	2	122.0227	0.004	3	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:C-3:C-3:	C(CC[6a]O)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]O)(CCH)(COO)	C(CC[6a]O)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]O)(CCH)(COO)	122.0950	0.000	1	122.0950	0.000	1	122.0227	0.004	3	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-3:N-3:N-3:	C(CC[6a]O)(CNN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCH)(NCH)2	C(CC[6a]O)(CNN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCH)(NCH)2	124.3915	0.375	2	124.3915	0.141	2	124.3915	0.141	2	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(C[6a]C[6a]2)2(CCH)	C(CC[6a]2)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(C[6a]C[6a]2)2(CCH)	126.4850	0.000	1	126.4850	0.000	1	126.4850	0.000	1	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	N[5]-3:C-3:H-1:	C-3:C-3:C-3:	C(CN[5]H)(CCC)(H)	C(N[5]C[5]N[5])(CCH)(H)	C(CCC)(CCH)(COO)	C(CN[5]H)(CCC)(H)	C(N[5]C[5]N[5])(CCH)(H)	C(CCC)(CCH)(COO)	131.1330	1.177	2	131.1330	1.384	2	131.1330	1.384	2	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:H-1:	N[6]-3:C-3:H-1:	C-3:N-3:N-3:	C(CN[6]H)(CNN)(H)	C(N[6]C[6]2)(CCH)(H)	C(CCH)(NCH)(NHH)	C(CN[6]H)(CNN)(H)	C(N[6]C[6]2)(CCH)(H)	C(CCH)(NCH)(NHH)	123.3200	0.000	1	123.3200	0.000	1	123.3200	0.000	1	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:I-1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]2)(CC[6a]O)(I)	C(C[6a]C[6a]2)(CCI)(O)	C(C[6a]C[6a]2)2(CCI)	C(CC[6a]2)(CC[6a]O)(I)	C(C[6a]C[6a]2)(CCI)(O)	C(C[6a]C[6a]2)2(CCI)	126.0240	0.000	1	126.0240	0.000	1	126.0240	0.000	1	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:3:3:	C-3:C-3:O-1:	C-3:C-3:H-1:	C[5]-3:C-3:C-3:	C(CC[5]C)(CCH)(O)	C(CC[6a]H)(CCO)(H)	C(C[5]S[5]2)(CCO)2	C(CC[5]C)(CCH)(O)	C(CC[6a]H)(CCO)(H)	C(C[5]S[5]2)(CCO)2	120.4660	0.249	2	120.4660	0.062	2	120.4660	0.062	2	128.1319	9.050	89	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:4:3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C[6]-3:C-4:C-3:	C(CC[5]H)(CC[6]C)(H)	C(C[5]C[5,6]C[5])(CCH)(H)	C(C[6]C[6]2)(CCHH)(CCH)	C(CC[5]H)(CC[6]C)(H)	C(C[5]C[5,6]C[5])(CCH)(H)	C(C[6]C[6]2)(CCHH)(CCH)	127.4630	0.000	1	127.4630	0.000	1	127.4630	0.000	1	124.8350	1.380	22	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:4:3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	C[6a]-3:C-4:C-3:	C(CC[5a]O)(CC[6a]C)(H)	C(C[5a]C[5a]N[5a])(CCH)(O)	C(C[6a]C[6a]2)(CH3)(CCH)	C(CC[5a]O)(CC[6a]C)(H)	C(C[5a]C[5a]N[5a])(CCH)(O)	C(C[6a]C[6a]2)(CH3)(CCH)	125.2120	0.000	1	125.2120	0.000	1	125.2120	0.000	1	124.8350	1.380	22	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:4:3:	C-3:C-3:H-1:	C[5a]-3:C-3:O-1:	N-3:C-4:C-3:	C(CC[5a]O)(CCN)(H)	C(C[5a]C[5a]2)(CCH)(O)	C(NC[6a]H)(CH3)(CCH)	C(CC[5a]O)(CCN)(H)	C(C[5a]C[5a]2)(CCH)(O)	C(NC[6a]H)(CH3)(CCH)	125.3054	0.700	5	125.3054	0.490	5	125.3054	0.490	5	124.8350	1.380	22	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:4:3:	C-3:C-3:H-1:	C[6,6]-3:C-3:H-1:	C[5]-3:C-4:C-3:	C(CC[6,6]H)(CC[5]C)(H)	C(C[6,6]C[5,6,6]C[3x6])(CCH)(H)	C(C[5]C[5,6]N[5])(CH3)(CCH)	C(CC[6,6]H)(CC[5]C)(H)	C(C[6,6]C[5,6,6]C[3x6])(CCH)(H)	C(C[5]C[5,6]N[5])(CH3)(CCH)	126.0180	0.379	2	126.0180	0.144	2	126.0180	0.144	2	124.8350	1.380	22	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:4:3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-3:C-4:C-3:	C(CC[6]H)(CCC)(H)	C(C[6]C[6]2)(CCH)(H)	C(CC[6]H)(CH3)(CCH)	C(CC[6]H)(CCC)(H)	C(C[6]C[6]2)(CCH)(H)	C(CC[6]H)(CH3)(CCH)	124.4735	0.705	2	124.4735	0.497	2	124.4735	0.497	2	124.8350	1.380	22	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-3:C-4:C-3:	C(CC[6a]H)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCHH)(CCH)	C(CC[6a]H)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CCHH)(CCH)	126.4650	0.000	1	126.4650	0.000	1	126.4650	0.000	1	124.8350	1.380	22	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	N-3:C-4:C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(NC[5a]H)(CH3)(CCH)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(NC[5a]H)(CH3)(CCH)	122.5620	0.000	1	122.5620	0.000	1	123.9721	0.562	10	124.8350	1.380	22	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	N-3:C-4:C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(NC[6a]H)(CCHH)(CCH)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(NC[6a]H)(CCHH)(CCH)	123.1020	0.000	1	123.1020	0.000	1	123.9721	0.562	10	124.8350	1.380	22	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	N-3:C-4:C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(NC[6a]H)(CF3)(CCH)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(NC[6a]H)(CF3)(CCH)	124.1320	0.000	1	124.1320	0.000	1	123.9721	0.562	10	124.8350	1.380	22	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	N-3:C-4:C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(NC[6a]H)(CH3)(CCH)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(NC[6a]H)(CH3)(CCH)	124.2750	0.523	7	124.2750	0.274	7	123.9721	0.562	10	124.8350	1.380	22	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:Br-1:	C[6a]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[6a]H)(CCO)(Br)	C(C[6a]C[6a]2)(CBrC)(H)	C(CCHH)(CBrC)(O)	C(CC[6a]H)(CCO)(Br)	C(C[6a]C[6a]2)(CBrC)(H)	C(CCHH)(CBrC)(O)	123.4350	0.000	1	123.4350	0.000	1	123.4350	0.000	1	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:F-1:	C[6a]-3:C-3:O-1:	C-4:C-3:H-1:	C(CC[6a]O)(CCH)(F)	C(C[6a]C[6a]2)(CCF)(O)	C(CH3)(CCF)(H)	C(CC[6a]O)(CCH)(F)	C(C[6a]C[6a]2)(CCF)(O)	C(CH3)(CCF)(H)	127.9540	0.000	1	127.9540	0.000	1	127.9540	0.000	1	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)2(H)	C(CCC)(CCH)(H)	C(CH3)(CCH)(H)	C(CCH)2(H)	C(CCC)(CCH)(H)	C(CH3)(CCH)(H)	124.2230	0.000	1	124.2230	0.000	1	126.6045	4.580	23	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)2(H)	C(CC[4]C)(CCH)(H)	C(CCCH)(CCH)(H)	C(CCH)2(H)	C(CC[4]C)(CCH)(H)	C(CCCH)(CCH)(H)	127.9350	0.000	1	127.9350	0.000	1	126.6045	4.580	23	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)2(H)	C(CC[5]H)(CCH)(H)	C(CCHH)(CCH)(H)	C(CCH)2(H)	C(CC[5]H)(CCH)(H)	C(CCHH)(CCH)(H)	125.4480	1.033	5	125.4480	1.068	5	126.6045	4.580	23	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)2(H)	C(CC[5]H)(CCH)(H)	C(CH3)(CCH)(H)	C(CCH)2(H)	C(CC[5]H)(CCH)(H)	C(CH3)(CCH)(H)	126.0830	0.000	1	126.0830	0.000	1	126.6045	4.580	23	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)2(H)	C(CC[6]H)(CCH)(H)	C(CCHN)(CCH)(H)	C(CCH)2(H)	C(CC[6]H)(CCH)(H)	C(CCHN)(CCH)(H)	127.1170	0.000	1	127.1170	0.000	1	126.6045	4.580	23	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)2(H)	C(CC[6a]C)(CCH)(H)	C(CCCH)(CCH)(H)	C(CCH)2(H)	C(CC[6a]C)(CCH)(H)	C(CCCH)(CCH)(H)	123.0980	0.000	1	123.0980	0.000	1	126.6045	4.580	23	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)2(H)	C(CC[6a]H)(CCH)(H)	C(CCCO)(CCH)(H)	C(CCH)2(H)	C(CC[6a]H)(CCH)(H)	C(CCCO)(CCH)(H)	123.1370	0.000	1	123.1370	0.000	1	126.6045	4.580	23	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)2(H)	C(CC[6a]H)(CCH)(H)	C(CCHO)(CCH)(H)	C(CCH)2(H)	C(CC[6a]H)(CCH)(H)	C(CCHO)(CCH)(H)	127.2800	0.000	1	127.2800	0.000	1	126.6045	4.580	23	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)2(H)	C(CC[6a]N)(CCH)(H)	C(CCHH)(CCH)(H)	C(CCH)2(H)	C(CC[6a]N)(CCH)(H)	C(CCHH)(CCH)(H)	126.8275	6.128	2	126.8275	37.558	2	126.6045	4.580	23	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)2(H)	C(CN[5]C)(CCH)(H)	C(CPdCH)(CCH)(H)	C(CCH)2(H)	C(CN[5]C)(CCH)(H)	C(CPdCH)(CCH)(H)	128.1153	0.495	6	128.1153	0.245	6	126.6045	4.580	23	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)2(H)	C(CN[6]C)(CCH)(H)	C(CPdCH)(CCH)(H)	C(CCH)2(H)	C(CN[6]C)(CCH)(H)	C(CPdCH)(CCH)(H)	127.8143	0.187	3	127.8143	0.035	3	126.6045	4.580	23	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-4:C-3:O-1:	C(CCH)(CCO)(H)	C(CC[5,6]O)(CCH)(H)	C(CCHO)(CCH)(O)	C(CCH)(CCO)(H)	C(CC[5,6]O)(CCH)(H)	C(CCHO)(CCH)(O)	126.4970	0.000	1	126.4970	0.000	1	123.8515	13.997	2	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-4:C-3:O-1:	C(CCH)(CCO)(H)	C(CC[6]H)(CCH)(H)	C(CF3)(CCH)(O)	C(CCH)(CCO)(H)	C(CC[6]H)(CCH)(H)	C(CF3)(CCH)(O)	121.2060	0.000	1	121.2060	0.000	1	123.8515	13.997	2	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	N-4:C-3:H-1:	C(CCH)(CHN)(H)	C(CCH)(CHH)(H)	C(NC3)(CCH)(H)	C(CCH)(CHN)(H)	C(CCH)(CHH)(H)	C(NC3)(CCH)(H)	125.4560	0.000	1	125.4560	0.000	1	125.4560	0.000	1	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	S-4:C-3:Br-1:	C(CBrS)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(SFOO)(CCH)(Br)	C(CBrS)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(SFOO)(CCH)(Br)	125.7530	0.000	1	125.7530	0.000	1	125.7530	0.000	1	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C-3:C-3:H-1:	Si-4:C-3:I-1:	C(CSiI)(CCH)(H)	C(CSiI)(CCH)(H)	C(SiC3)(CCH)(I)	C(CSiI)(CCH)(H)	C(CSiI)(CCH)(H)	C(SiC3)(CCH)(I)	128.3170	0.335	2	128.3170	0.112	2	128.3170	0.112	2	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C-3:C-3:O-1:	C-4:C-3:H-1:	C(CCH)(CCO)(H)	C(CClC)(CCH)(O)	C(CH3)(CCH)(H)	C(CCH)(CCO)(H)	C(CClC)(CCH)(O)	C(CH3)(CCH)(H)	123.8960	0.000	1	123.8960	0.000	1	123.8960	0.000	1	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-4:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2)(CCH)(H)	C(CH3)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2)(CCH)(H)	C(CH3)(CCH)(H)	121.3940	0.000	1	121.3940	0.000	1	121.3940	0.000	1	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[5]H)(CCO)(H)	C(C[5]C[5,5a]C[5])(CCH)(H)	C(CH3)(CCH)(O)	C(CC[5]H)(CCO)(H)	C(C[5]C[5,5a]C[5])(CCH)(H)	C(CH3)(CCH)(O)	125.5240	0.000	1	125.5240	0.000	1	125.5240	0.000	1	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:O-1:	C-4:C-3:H-1:	C(CC[5]O)(CCH)(H)	C(C[5]Cl[5]C[5])(CCH)(O)	C(CC[6a]CC)(CCH)(H)	C(CC[5]O)(CCH)(H)	C(C[5]Cl[5]C[5])(CCH)(O)	C(CC[6a]CC)(CCH)(H)	125.6860	0.000	1	125.6860	0.000	1	125.6860	0.000	1	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[5a]H)(CCO)(H)	C(C[5a]C[5a]2)(CCH)(H)	C(CCHH)(CCH)(O)	C(CC[5a]H)(CCO)(H)	C(C[5a]C[5a]2)(CCH)(H)	C(CCHH)(CCH)(O)	123.7980	0.000	1	123.7980	0.000	1	124.1340	1.279	4	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[5a]H)(CCO)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CH3)(CCH)(O)	C(CC[5a]H)(CCO)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CH3)(CCH)(O)	125.0290	0.091	2	125.0290	0.008	2	124.1340	1.279	4	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[5a]H)(CCO)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CCHH)(CCH)(O)	C(CC[5a]H)(CCO)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CCHH)(CCH)(O)	122.6800	0.000	1	122.6800	0.000	1	124.1340	1.279	4	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C[5]-4:C-3:O-1:	C(CC[5a]H)(CC[5]O)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(C[5]C[5]2Fe)(CCH)(O)	C(CC[5a]H)(CC[5]O)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(C[5]C[5]2Fe)(CCH)(O)	120.3330	0.000	1	120.3330	0.000	1	120.3330	0.000	1	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[6]H)(CCO)(H)	C(C[6]C[6]O[6])(CCH)(H)	C(CH3)(CCH)(O)	C(CC[6]H)(CCO)(H)	C(C[6]C[6]O[6])(CCH)(H)	C(CH3)(CCH)(O)	123.1850	1.373	2	123.1850	1.886	2	123.1850	1.886	2	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:Cl-1:	C-4:C-3:O-1:	C(CC[6a]Cl)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	C(CClHH)(CCH)(O)	C(CC[6a]Cl)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	C(CClHH)(CCH)(O)	128.0790	0.000	1	128.0790	0.000	1	128.0790	0.000	1	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[6a]H)(CCO)(H)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C(CH3)(CCH)(O)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[5,6a]C[6a])(CCH)(H)	C(CH3)(CCH)(O)	122.9840	0.000	1	122.9840	0.000	1	124.1315	5.584	40	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC3)(CCH)(O)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC3)(CCH)(O)	121.3310	0.298	2	121.3310	0.089	2	124.1315	5.584	40	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCHH)(CCH)(O)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCHH)(CCH)(O)	126.2351	1.638	7	126.2351	2.684	7	124.1315	5.584	40	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6]CH)(CCH)(O)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6]CH)(CCH)(O)	125.0220	0.000	1	125.0220	0.000	1	124.1315	5.584	40	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6]HH)(CCH)(O)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6]HH)(CCH)(O)	126.1230	0.758	2	126.1230	0.575	2	124.1315	5.584	40	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CH3)(CCH)(O)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CH3)(CCH)(O)	124.5994	1.822	20	124.5994	3.321	20	124.1315	5.584	40	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CN[5]HH)(CCH)(O)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CN[5]HH)(CCH)(O)	121.1790	0.000	1	121.1790	0.000	1	124.1315	5.584	40	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CPdCH)(CCH)(O)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CPdCH)(CCH)(O)	120.9227	1.126	6	120.9227	1.268	6	124.1315	5.584	40	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C[4]-4:C-3:O-1:	C(CC[6a]H)(CC[4]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(C[4]C[4]2H)(CCH)(O)	C(CC[6a]H)(CC[4]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(C[4]C[4]2H)(CCH)(O)	121.1495	1.843	2	121.1495	3.398	2	121.1495	3.398	2	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C[5]-4:C-3:O-1:	C(CC[6a]H)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(C[5]C[5]2H)(CCH)(O)	C(CC[6a]H)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(C[5]C[5]2H)(CCH)(O)	126.8280	0.000	1	126.8280	0.000	1	126.8280	0.000	1	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C[6]-4:C-3:O-1:	C(CC[6a]H)(CC[6]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(C[6]C[6]2H)(CCH)(O)	C(CC[6a]H)(CC[6]O)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(C[6]C[6]2H)(CCH)(O)	124.1536	2.610	5	124.1536	6.810	5	124.1536	6.810	5	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-4:C-3:Cl-1:	C(CC[6a]O)(CClC)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CHHN)(CCH)(Cl)	C(CC[6a]O)(CClC)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CHHN)(CCH)(Cl)	128.2940	0.000	2	128.2940	0.000	2	128.2940	0.000	2	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-4:C-3:H-1:	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCCH)(CCH)(H)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCCH)(CCH)(H)	121.3380	0.000	1	121.3380	0.000	1	122.6942	1.649	12	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-4:C-3:H-1:	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCHH)(CCH)(H)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCHH)(CCH)(H)	122.3160	0.000	1	122.3160	0.000	1	122.6942	1.649	12	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-4:C-3:H-1:	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[5]HH)(CCH)(H)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[5]HH)(CCH)(H)	124.4580	0.000	1	124.4580	0.000	1	122.6942	1.649	12	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-4:C-3:H-1:	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6]HH)(CCH)(H)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6]HH)(CCH)(H)	122.6470	1.433	4	122.6470	2.053	4	122.6942	1.649	12	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-4:C-3:H-1:	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]HO)(CCH)(H)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]HO)(CCH)(H)	121.9380	0.178	2	121.9380	0.032	2	122.6942	1.649	12	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-4:C-3:H-1:	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCl3)(CCH)(H)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCl3)(CCH)(H)	121.9630	0.000	1	121.9630	0.000	1	122.6942	1.649	12	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-4:C-3:H-1:	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CH3)(CCH)(H)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CH3)(CCH)(H)	123.8955	1.511	2	123.8955	2.283	2	122.6942	1.649	12	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-4:C-3:O-1:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CF3)(CCH)(O)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CF3)(CCH)(O)	123.5560	0.000	1	123.5560	0.000	1	121.0923	4.555	3	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-4:C-3:O-1:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CH3)(CCH)(O)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CH3)(CCH)(O)	119.8605	0.076	2	119.8605	0.006	2	121.0923	4.555	3	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C[3]-4:C-3:O-1:	C(CC[6a]O)(CC[3]O)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(O)	C(C[3]C[3]2C)(CCH)(O)	C(CC[6a]O)(CC[3]O)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(O)	C(C[3]C[3]2C)(CCH)(O)	119.8740	0.000	1	119.8740	0.000	1	119.8740	0.000	1	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C[5]-4:C-3:H-1:	C(CC[6a]O)(CC[5]H)(H)	C(C[6a]C[6a]N[6a])(CCH)(O)	C(C[5]C[5]2Fe)(CCH)(H)	C(CC[6a]O)(CC[5]H)(H)	C(C[6a]C[6a]N[6a])(CCH)(O)	C(C[5]C[5]2Fe)(CCH)(H)	120.2803	0.315	3	120.2803	0.099	3	120.2803	0.099	3	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	Si-4:C-3:H-1:	C(CC[6a]O)(CSiH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(SiC3)(CCH)(H)	C(CC[6a]O)(CSiH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(SiC3)(CCH)(H)	125.4910	0.000	1	125.4910	0.000	1	125.4910	0.000	1	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-4:C-3:O-1:	C(CCO)(CHN)(H)	C(NC[6a]H)(CCH)(H)	C(CCl3)(CCH)(O)	C(CCO)(CHN)(H)	C(NC[6a]H)(CCH)(H)	C(CCl3)(CCH)(O)	111.2770	0.000	1	111.2770	0.000	1	119.1933	47.006	3	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-4:C-3:O-1:	C(CCO)(CHN)(H)	C(NC[6a]H)(CCH)(H)	C(CH3)(CCH)(O)	C(CCO)(CHN)(H)	C(NC[6a]H)(CCH)(H)	C(CH3)(CCH)(O)	123.1515	0.093	2	123.1515	0.009	2	119.1933	47.006	3	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-4:C-3:H-1:	C(CCH)(CNO)(H)	C(NC[6]N)(CCH)(O)	C(CH3)(CCH)(H)	C(CCH)(CNO)(H)	C(NC[6]N)(CCH)(O)	C(CH3)(CCH)(H)	120.1655	0.653	4	120.1655	0.426	4	120.3451	1.328	8	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-4:C-3:H-1:	C(CCH)(CNO)(H)	C(NC[6a]C)(CCH)(O)	C(CH3)(CCH)(H)	C(CCH)(CNO)(H)	C(NC[6a]C)(CCH)(O)	C(CH3)(CCH)(H)	121.5820	0.974	2	121.5820	0.949	2	120.3451	1.328	8	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-4:C-3:H-1:	C(CCH)(CNO)(H)	C(NC[6a]N)(CCH)(O)	C(CH3)(CCH)(H)	C(CCH)(CNO)(H)	C(NC[6a]N)(CCH)(O)	C(CH3)(CCH)(H)	119.4675	1.529	2	119.4675	2.339	2	120.3451	1.328	8	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	N-3:C-3:O-1:	Si-4:C-3:H-1:	C(CSiH)(CNO)(H)	C(NC[6a]H)(CCH)(O)	C(SiC3)(CCH)(H)	C(CSiH)(CNO)(H)	C(NC[6a]H)(CCH)(O)	C(SiC3)(CCH)(H)	122.3370	0.041	2	122.3370	0.002	2	122.3370	0.002	2	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C-4:C-3:H-1:	C(CN[5]O)(CCH)(H)	C(N[5]C[5]2)(CCH)(O)	C(CCCH)(CCH)(H)	C(CN[5]O)(CCH)(H)	C(N[5]C[5]2)(CCH)(O)	C(CCCH)(CCH)(H)	120.3092	0.786	4	120.3092	0.618	4	120.4487	0.610	6	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C-4:C-3:H-1:	C(CN[5]O)(CCH)(H)	C(N[5]C[5]2)(CCH)(O)	C(CH3)(CCH)(H)	C(CN[5]O)(CCH)(H)	C(N[5]C[5]2)(CCH)(O)	C(CH3)(CCH)(H)	120.7275	0.981	2	120.7275	0.962	2	120.4487	0.610	6	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	N[5a]-3:C-3:H-1:	C-4:C-3:O-1:	C(CN[5a]H)(CCO)(H)	C(N[5a]C[5a,6a]O[5a])(CCH)(H)	C(CH3)(CCH)(O)	C(CN[5a]H)(CCO)(H)	C(N[5a]C[5a,6a]O[5a])(CCH)(H)	C(CH3)(CCH)(O)	124.4310	0.000	1	124.4310	0.000	1	124.4310	0.000	1	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	N[5a]-3:C-3:O-1:	C-4:C-3:H-1:	C(CN[5a]O)(CCH)(H)	C(N[5a]C[5a]N[5a])(CCH)(O)	C(CBrCH)(CCH)(H)	C(CN[5a]O)(CCH)(H)	C(N[5a]C[5a]N[5a])(CCH)(O)	C(CBrCH)(CCH)(H)	119.1910	1.724	2	119.1910	2.972	2	121.0496	4.891	7	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	N[5a]-3:C-3:O-1:	C-4:C-3:H-1:	C(CN[5a]O)(CCH)(H)	C(N[5a]C[5a]N[5a])(CCH)(O)	C(CCFH)(CCH)(H)	C(CN[5a]O)(CCH)(H)	C(N[5a]C[5a]N[5a])(CCH)(O)	C(CCFH)(CCH)(H)	123.5370	0.000	1	123.5370	0.000	1	121.0496	4.891	7	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	N[5a]-3:C-3:O-1:	C-4:C-3:H-1:	C(CN[5a]O)(CCH)(H)	C(N[5a]C[5a]N[5a])(CCH)(O)	C(CC[5a]C[6a]H)(CCH)(H)	C(CN[5a]O)(CCH)(H)	C(N[5a]C[5a]N[5a])(CCH)(O)	C(CC[5a]C[6a]H)(CCH)(H)	121.5527	2.494	3	121.5527	6.219	3	121.0496	4.891	7	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	N[5a]-3:C-3:O-1:	C-4:C-3:H-1:	C(CN[5a]O)(CCH)(H)	C(N[5a]C[5a]N[5a])(CCH)(O)	C(CClCH)(CCH)(H)	C(CN[5a]O)(CCH)(H)	C(N[5a]C[5a]N[5a])(CCH)(O)	C(CClCH)(CCH)(H)	120.7700	0.000	1	120.7700	0.000	1	121.0496	4.891	7	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:1:	C-3:C-3:H-1:	N[6]-3:C-3:O-1:	C-4:C-3:H-1:	C(CN[6]O)(CCH)(H)	C(N[6]C[6,6a]C[6])(CCH)(O)	C(CH3)(CCH)(H)	C(CN[6]O)(CCH)(H)	C(N[6]C[6,6a]C[6])(CCH)(O)	C(CH3)(CCH)(H)	121.7900	0.000	1	121.7900	0.000	1	121.7900	0.000	1	123.6985	9.065	141	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:2:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-4:C-3:N-2:	C(CC[5a]H)(CCN)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CH3)(CCH)(NN)	C(CC[5a]H)(CCN)(H)	C(C[5a]C[5a]O[5a])(CCH)(H)	C(CH3)(CCH)(NN)	125.4265	1.254	2	125.4265	1.572	2	125.4265	1.572	2	123.1054	5.859	17	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-4:C-3:N-2:	C(CC[6a]H)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CF3)(CCH)(NS)	C(CC[6a]H)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CF3)(CCH)(NS)	126.8320	0.000	1	126.8320	0.000	1	125.6350	1.169	4	123.1054	5.859	17	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-4:C-3:N-2:	C(CC[6a]H)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CH3)(CCH)(NN)	C(CC[6a]H)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CH3)(CCH)(NN)	125.6465	0.766	2	125.6465	0.586	2	125.6350	1.169	4	123.1054	5.859	17	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-4:C-3:N-2:	C(CC[6a]H)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CH3)(CCH)(NO)	C(CC[6a]H)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CH3)(CCH)(NO)	124.4150	0.000	1	124.4150	0.000	1	125.6350	1.169	4	123.1054	5.859	17	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-4:C-3:O-2:	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CH3)(CCH)(OB)	C(CC[6a]H)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CH3)(CCH)(OB)	122.5230	0.000	1	122.5230	0.000	1	122.5230	0.000	1	123.1054	5.859	17	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-4:C-3:O-2:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CC3)(CCH)(OH)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CC3)(CCH)(OH)	120.3480	0.000	1	120.3480	0.000	1	121.1999	3.819	7	123.1054	5.859	17	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-4:C-3:O-2:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCFF)(CCH)(OH)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCFF)(CCH)(OH)	120.4650	0.000	1	120.4650	0.000	1	121.1999	3.819	7	123.1054	5.859	17	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-4:C-3:O-2:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CF3)(CCH)(OH)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CF3)(CCH)(OH)	120.4970	0.331	4	120.4970	0.110	4	121.1999	3.819	7	123.1054	5.859	17	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-4:C-3:O-2:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CH3)(CCH)(OS)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CH3)(CCH)(OS)	125.5980	0.000	1	125.5980	0.000	1	121.1999	3.819	7	123.1054	5.859	17	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:2:	C-3:C-3:H-1:	N-3:C-3:H-1:	C-4:C-3:O-2:	C(CCO)(CHN)(H)	C(NC[6a]Ni)(CCH)(H)	C(CC3)(CCH)(ONi)	C(CCO)(CHN)(H)	C(NC[6a]Ni)(CCH)(H)	C(CC3)(CCH)(ONi)	124.1910	0.000	1	124.1910	0.000	1	124.1910	0.000	1	123.1054	5.859	17	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:2:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C-4:C-3:O-2:	C(CN[5]O)(CCO)(H)	C(N[5]C[5,6a]N[5])(CCH)(O)	C(CH3)(CCH)(OC)	C(CN[5]O)(CCO)(H)	C(N[5]C[5,6a]N[5])(CCH)(O)	C(CH3)(CCH)(OC)	122.1425	0.766	2	122.1425	0.586	2	122.1425	0.586	2	123.1054	5.859	17	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:3:	C-3:C-3:Br-1:	C[5]-3:C-3:H-1:	C-4:C-3:C-3:	C(CC[5]H)(CCC)(Br)	C(C[5]C[5]2)(CBrC)(H)	C(CCHH)(CBrC)(CCH)	C(CC[5]H)(CCC)(Br)	C(C[5]C[5]2)(CBrC)(H)	C(CCHH)(CBrC)(CCH)	130.9510	0.000	1	130.9510	0.000	1	130.9510	0.000	1	127.1849	9.482	70	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C(CCC)(CCH)(H)	C(CBrC)(CCH)(H)	C(CCCH)(CCH)2	C(CCC)(CCH)(H)	C(CBrC)(CCH)(H)	C(CCCH)(CCH)2	129.2610	0.000	1	129.2610	0.000	1	127.6801	5.454	17	127.1849	9.482	70	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	C(CH3)(CCH)2	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	C(CH3)(CCH)2	126.7590	1.095	2	126.7590	1.198	2	127.6801	5.454	17	127.1849	9.482	70	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C(CCC)(CCH)(H)	C(CCH)(CCO)(H)	C(CH3)(CCH)2	C(CCC)(CCH)(H)	C(CCH)(CCO)(H)	C(CH3)(CCH)2	130.7965	0.851	4	130.7965	0.725	4	127.6801	5.454	17	127.1849	9.482	70	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C(CCC)(CCH)(H)	C(CCH)(CNO)(H)	C(CH3)(CCH)2	C(CCC)(CCH)(H)	C(CCH)(CNO)(H)	C(CH3)(CCH)2	128.3840	0.000	1	128.3840	0.000	1	127.6801	5.454	17	127.1849	9.482	70	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C(CCC)(CCH)(H)	C(CCH)(COO)(H)	C(CH3)(CCH)2	C(CCC)(CCH)(H)	C(CCH)(COO)(H)	C(CH3)(CCH)2	126.6145	0.667	2	126.6145	0.445	2	127.6801	5.454	17	127.1849	9.482	70	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C(CCC)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(CCHH)(CCH)2	C(CCC)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(CCHH)(CCH)2	125.9620	0.000	1	125.9620	0.000	1	127.6801	5.454	17	127.1849	9.482	70	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C(CCC)(CCH)(H)	C(CC[5]O)(CCH)(H)	C(CH3)(CCH)2	C(CCC)(CCH)(H)	C(CC[5]O)(CCH)(H)	C(CH3)(CCH)2	124.6660	0.000	1	124.6660	0.000	1	127.6801	5.454	17	127.1849	9.482	70	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C(CCC)(CCH)(H)	C(CC[5x3,5x5,20x6]O)(CCH)(H)	C(CH3)(CCH)2	C(CCC)(CCH)(H)	C(CC[5x3,5x5,20x6]O)(CCH)(H)	C(CH3)(CCH)2	129.1390	0.000	1	129.1390	0.000	1	127.6801	5.454	17	127.1849	9.482	70	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C(CCC)(CCH)(H)	C(CC[6a]C)(CCH)(H)	C(CCHH)(CCH)(COO)	C(CCC)(CCH)(H)	C(CC[6a]C)(CCH)(H)	C(CCHH)(CCH)(COO)	123.3960	0.000	1	123.3960	0.000	1	127.6801	5.454	17	127.1849	9.482	70	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C(CCC)(CCH)(H)	C(CC[6a]C)(CCH)(H)	C(CH3)(CCH)2	C(CCC)(CCH)(H)	C(CC[6a]C)(CCH)(H)	C(CH3)(CCH)2	127.6570	0.000	1	127.6570	0.000	1	127.6801	5.454	17	127.1849	9.482	70	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C(CCC)(CCH)(H)	C(CClC)(CCH)(H)	C(CHHN)(CCH)2	C(CCC)(CCH)(H)	C(CClC)(CCH)(H)	C(CHHN)(CCH)2	126.0820	0.047	2	126.0820	0.002	2	127.6801	5.454	17	127.1849	9.482	70	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C-4:C-3:N-3:	C(CCH)(CCN)(H)	C(CC[6a]H)(CCH)(H)	C(CCHH)(CCH)(NOO)	C(CCH)(CCN)(H)	C(CC[6a]H)(CCH)(H)	C(CCHH)(CCH)(NOO)	126.5480	0.390	2	126.5480	0.152	2	126.5480	0.152	2	127.1849	9.482	70	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:3:	C-3:C-3:H-1:	C[5]-3:C-3:Br-1:	C-4:C-3:C-3:	C(CC[5]Br)(CCC)(H)	C(C[5]C[5]2)(CCH)(Br)	C(CCHH)(CBrC)(CCH)	C(CC[5]Br)(CCC)(H)	C(C[5]C[5]2)(CCH)(Br)	C(CCHH)(CBrC)(CCH)	131.9430	0.000	1	131.9430	0.000	1	131.9430	0.000	1	127.1849	9.482	70	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-4:C-3:C-3:	C(CC[5]H)(CCC)(H)	C(C[5]C[5]2)(CCH)(H)	C(CC3)(CCH)2	C(CC[5]H)(CCC)(H)	C(C[5]C[5]2)(CCH)(H)	C(CC3)(CCH)2	130.8404	0.622	10	130.8404	0.386	10	130.7419	0.384	14	127.1849	9.482	70	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-4:C-3:C-3:	C(CC[5]H)(CCC)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCCH)(CCH)2	C(CC[5]H)(CCC)(H)	C(C[5]C[5]2)(CCH)(H)	C(CCCH)(CCH)2	130.4955	0.627	4	130.4955	0.393	4	130.7419	0.384	14	127.1849	9.482	70	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:3:	C-3:C-3:H-1:	C[5a]-3:C-3:H-1:	C-4:C-3:C-3:	C(CC[5a]H)(CCC)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	C(CCHH)(CCH)2	C(CC[5a]H)(CCC)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	C(CCHH)(CCH)2	127.0750	0.000	1	127.0750	0.000	1	127.0750	0.000	1	127.1849	9.482	70	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-4:C-3:C-3:	C(CC[6]H)(CCC)(H)	C(C[6]C[5,6]C[6])(CCH)(H)	C(CCHH)(CCH)(CHO)	C(CC[6]H)(CCC)(H)	C(C[6]C[5,6]C[6])(CCH)(H)	C(CCHH)(CCH)(CHO)	131.0110	0.000	1	131.0110	0.000	1	127.9913	4.183	7	127.1849	9.482	70	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-4:C-3:C-3:	C(CC[6]H)(CCC)(H)	C(C[6]C[6,6a]N[6])(CCH)(H)	C(CC[6a]HN)(CCH)(COO)	C(CC[6]H)(CCC)(H)	C(C[6]C[6,6a]N[6])(CCH)(H)	C(CC[6a]HN)(CCH)(COO)	130.4420	0.000	1	130.4420	0.000	1	127.9913	4.183	7	127.1849	9.482	70	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-4:C-3:C-3:	C(CC[6]H)(CCC)(H)	C(C[6]C[6]2)(CCH)(H)	C(CH3)(CCH)2	C(CC[6]H)(CCC)(H)	C(C[6]C[6]2)(CCH)(H)	C(CH3)(CCH)2	127.0302	1.100	4	127.0302	1.211	4	127.9913	4.183	7	127.1849	9.482	70	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:3:	C-3:C-3:H-1:	C[6]-3:C-3:H-1:	C-4:C-3:C-3:	C(CC[6]H)(CCC)(H)	C(C[6]C[6]N[6])(CCH)(H)	C(CH3)(CCH)2	C(CC[6]H)(CCC)(H)	C(C[6]C[6]N[6])(CCH)(H)	C(CH3)(CCH)2	126.3650	0.000	1	126.3650	0.000	1	127.9913	4.183	7	127.1849	9.482	70	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-4:C-3:C-3:	C(CC[6a]H)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCHH)(CCC)(CCH)	C(CC[6a]H)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCHH)(CCC)(CCH)	124.7563	1.024	3	124.7563	1.049	3	124.9145	1.280	8	127.1849	9.482	70	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-4:C-3:C-3:	C(CC[6a]H)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCHH)(CCH)(CNO)	C(CC[6a]H)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCHH)(CCH)(CNO)	126.2900	0.345	2	126.2900	0.119	2	124.9145	1.280	8	127.1849	9.482	70	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:3:	C-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C-4:C-3:C-3:	C(CC[6a]H)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CH3)(CCC)(CCH)	C(CC[6a]H)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CH3)(CCC)(CCH)	124.1557	0.761	3	124.1557	0.579	3	124.9145	1.280	8	127.1849	9.482	70	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-4:C-3:N-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CC3)(CCH)(NCC)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CC3)(CCH)(NCC)	126.0390	0.000	1	126.0390	0.000	1	124.2745	0.709	12	127.1849	9.482	70	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-4:C-3:N-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCHH)(CCH)(NCH)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCHH)(CCH)(NCH)	124.0083	0.807	3	124.0083	0.651	3	124.2745	0.709	12	127.1849	9.482	70	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-4:C-3:N-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CH3)(CCH)(NCH)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CH3)(CCH)(NCH)	124.2670	0.504	5	124.2670	0.254	5	124.2745	0.709	12	127.1849	9.482	70	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-4:C-3:N-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CH3)(CCH)(NHN)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CH3)(CCH)(NHN)	123.9650	0.966	3	123.9650	0.934	3	124.2745	0.709	12	127.1849	9.482	70	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:3:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C-4:C-3:C-3:	C(CN[5]O)(CCC)(H)	C(N[5]C[5,6a]C[5])(CCH)(O)	C(CF3)(CCH)(CCO)	C(CN[5]O)(CCC)(H)	C(N[5]C[5,6a]C[5])(CCH)(O)	C(CF3)(CCH)(CCO)	127.6970	0.000	1	127.6970	0.000	1	128.9070	1.099	3	127.1849	9.482	70	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:3:	C-3:C-3:H-1:	N[5]-3:C-3:O-1:	C-4:C-3:C-3:	C(CN[5]O)(CCC)(H)	C(N[5]C[5,6a]C[5])(CCH)(O)	C(CH3)(CCH)(CCO)	C(CN[5]O)(CCC)(H)	C(N[5]C[5,6a]C[5])(CCH)(O)	C(CH3)(CCH)(CCO)	129.5120	0.048	2	129.5120	0.002	2	128.9070	1.099	3	127.1849	9.482	70	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:3:	C-3:C-3:H-1:	N[5a]-3:C-3:O-1:	C-4:C-3:N-3:	C(CN[5a]O)(CCN)(H)	C(N[5a]C[5a,6a]C[5a])(CCH)(O)	C(CH3)(CCH)(NHH)	C(CN[5a]O)(CCN)(H)	C(N[5a]C[5a,6a]C[5a])(CCH)(O)	C(CH3)(CCH)(NHH)	122.9860	0.000	1	122.9860	0.000	1	122.9860	0.000	1	127.1849	9.482	70	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:3:	C-3:C-3:O-1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C(CCC)(CCH)(O)	C(CC[5]H)(CCO)(H)	C(CHHO)(CCH)(CCO)	C(CCC)(CCH)(O)	C(CC[5]H)(CCO)(H)	C(CHHO)(CCH)(CCO)	121.4660	0.000	1	121.4660	0.000	1	121.4660	0.000	1	127.1849	9.482	70	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:3:3:	C-3:C-3:O-1:	C[6a]-3:C-3:O-1:	P-4:C-3:C-3:	C(CC[6a]O)(CCP)(O)	C(C[6a]C[6a]2)(CCO)(O)	C(PC[6a]3)(CCO)2	C(CC[6a]O)(CCP)(O)	C(C[6a]C[6a]2)(CCO)(O)	C(PC[6a]3)(CCO)2	120.6025	2.353	2	120.6025	5.534	2	120.6025	5.534	2	127.1849	9.482	70	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:4:3:	C-3:C-3:H-1:	C[5]-3:C-3:H-1:	C-4:C-4:C-3:	C(CC[5]H)(CCC)(H)	C(C[5]C[5]O[5])(CCH)(H)	C(CH3)2(CCH)	C(CC[5]H)(CCC)(H)	C(C[5]C[5]O[5])(CCH)(H)	C(CH3)2(CCH)	127.2680	0.000	1	127.2680	0.000	1	127.2680	0.000	1	125.7700	0.910	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:4:3:	C-3:C-3:H-1:	C[6]-3:C-3:O-1:	C-4:C-4:C-3:	C(CC[6]O)(CCC)(H)	C(C[6]C[6]2)(CCH)(O)	C(CCHH)(CH3)(CCH)	C(CC[6]O)(CCC)(H)	C(C[6]C[6]2)(CCH)(O)	C(CCHH)(CH3)(CCH)	125.7340	0.000	1	125.7340	0.000	1	125.7340	0.000	1	125.7700	0.910	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:4:3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-4:C-4:C-3:	C(CC[6a]O)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CH3)2(CCH)	C(CC[6a]O)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CH3)2(CCH)	125.2693	0.751	3	125.2693	0.565	3	125.1125	0.475	4	125.7700	0.910	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:4:3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C-4:C-4:C-3:	C(CC[6a]O)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CHHN)(CH3)(CCH)	C(CC[6a]O)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CHHN)(CH3)(CCH)	124.6420	0.000	1	124.6420	0.000	1	125.1125	0.475	4	125.7700	0.910	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:4:3:	C-3:C-3:H-1:	N-3:C-3:O-1:	C-4:C-4:C-3:	C(CCC)(CNO)(H)	C(NC[6a]H)(CCH)(O)	C(CH3)2(CCH)	C(CCC)(CNO)(H)	C(NC[6a]H)(CCH)(O)	C(CH3)2(CCH)	126.7320	0.000	1	126.7320	0.000	1	126.7320	0.000	1	125.7700	0.910	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:1:	4:4:3:	C-3:C-3:I-1:	C-3:C-3:I-1:	C-4:C-4:C-3:	C(CCC)(CCI)(I)	C(CCC)(CCI)(I)	C(CH3)2(CCI)	C(CCC)(CCI)(I)	C(CCC)(CCI)(I)	C(CH3)2(CCI)	125.9760	0.000	1	125.9760	0.000	1	125.9760	0.000	1	125.7700	0.910	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	2:4:3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	N-2:C-4:C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C(NC[6])(CH3)(CCH)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C(NC[6])(CH3)(CCH)	124.1370	0.447	2	124.1370	0.200	2	124.1370	0.200	2	124.1370	0.200	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:1:1:	C-3:C-3:Br-1:	C[6a]-3:C-3:N-2:	C-3:H-1:O-1:	C(CC[6a]N)(CHO)(Br)	C(C[6a]C[6a]2)(CBrC)(NC)	C(CBrC)(H)(O)	C(CC[6a]N)(CHO)(Br)	C(C[6a]C[6a]2)(CBrC)(NC)	C(CBrC)(H)(O)	125.0730	0.000	1	125.0730	0.000	1	125.0730	0.000	1	123.6041	3.437	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:1:1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:H-1:H-1:	C(CCO)(CHH)(H)	C(CC[6a]H)(CCH)(OC)	C(CCH)(H)2	C(CCO)(CHH)(H)	C(CC[6a]H)(CCH)(OC)	C(CCH)(H)2	125.3460	0.000	1	125.3460	0.000	1	125.3460	0.000	1	123.6041	3.437	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:1:1:	C-3:C-3:H-1:	C-3:N-3:N-2:	C-3:H-1:H-1:	C(CHH)(CNN)(H)	C(CCH)(NCC)(NS)	C(CCH)(H)2	C(CHH)(CNN)(H)	C(CCH)(NCC)(NS)	C(CCH)(H)2	124.2980	1.489	2	124.2980	2.218	2	124.2980	2.218	2	123.6041	3.437	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:1:1:	C-3:C-3:H-1:	C-3:N-3:O-2:	C-3:H-1:H-1:	C(CHH)(CNO)(H)	C(CCH)(NHH)(OMn)	C(CCH)(H)2	C(CHH)(CNO)(H)	C(CCH)(NHH)(OMn)	C(CCH)(H)2	121.6913	0.550	3	121.6913	0.302	3	121.9465	0.462	4	123.6041	3.437	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:1:1:	C-3:C-3:H-1:	C-3:N-3:O-2:	C-3:H-1:H-1:	C(CHH)(CNO)(H)	C(CCH)(NHH)(ONi)	C(CCH)(H)2	C(CHH)(CNO)(H)	C(CCH)(NHH)(ONi)	C(CCH)(H)2	122.7120	0.000	1	122.7120	0.000	1	121.9465	0.462	4	123.6041	3.437	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:1:1:	C-3:C-3:H-1:	C[5]-3:C-3:C-2:	C-3:H-1:H-1:	C(CC[5]C)(CHH)(H)	C(C[5]C[5]2)(CCH)(CC)	C(CCH)(H)2	C(CC[5]C)(CHH)(H)	C(C[5]C[5]2)(CCH)(CC)	C(CCH)(H)2	124.7300	0.000	1	124.7300	0.000	1	124.7300	0.000	1	123.6041	3.437	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:1:1:	C-3:C-3:H-1:	N-3:C-3:O-2:	C-3:H-1:H-1:	C(CHH)(CNO)(H)	C(NC[6]H)(CCH)(OH)	C(CCH)(H)2	C(CHH)(CNO)(H)	C(NC[6]H)(CCH)(OH)	C(CCH)(H)2	124.2840	4.428	2	124.2840	19.606	2	123.6207	11.123	3	123.6041	3.437	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:1:1:	C-3:C-3:H-1:	N-3:C-3:O-2:	C-3:H-1:H-1:	C(CHH)(CNO)(H)	C(NFeH)(CCH)(OFe)	C(CCH)(H)2	C(CHH)(CNO)(H)	C(NFeH)(CCH)(OFe)	C(CCH)(H)2	122.2940	0.000	1	122.2940	0.000	1	123.6207	11.123	3	123.6041	3.437	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:1:1:	C-3:C-3:H-1:	N[6]-3:C-3:N-2:	C-3:H-1:H-1:	C(CN[6]N)(CHH)(H)	C(N[6]C[6]2)(CCH)(NS)	C(CCH)(H)2	C(CN[6]N)(CHH)(H)	C(N[6]C[6]2)(CCH)(NS)	C(CCH)(H)2	124.0320	0.218	2	124.0320	0.047	2	124.0320	0.047	2	123.6041	3.437	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:C-2:	C-3:S-2:H-1:	C(CCC)(CHS)(H)	C(CPtH)(CCH)(CN)	C(CCH)(SPt)(H)	C(CCC)(CHS)(H)	C(CPtH)(CCH)(CN)	C(CCH)(SPt)(H)	126.7470	0.909	3	126.7470	0.827	3	126.7470	0.827	3	127.6398	30.997	26	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:O-2:O-1:	C(CCO)(COO)(H)	C(CCH)(COO)(OC)	C(CCH)(OC)(O)	C(CCO)(COO)(H)	C(CCH)(COO)(OC)	C(CCH)(OC)(O)	128.5110	4.742	2	128.5110	22.485	2	128.1147	11.714	3	127.6398	30.997	26	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:O-2:O-1:	C(CCO)(COO)(H)	C(CC[5]H)(CCH)(OC)	C(CCH)(OC)(O)	C(CCO)(COO)(H)	C(CC[5]H)(CCH)(OC)	C(CCH)(OC)(O)	127.3220	0.000	1	127.3220	0.000	1	128.1147	11.714	3	127.6398	30.997	26	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:S-2:	C-3:O-2:O-1:	C(CCS)(COO)(H)	C(CCH)(COO)(SC)	C(CCH)(OC)(O)	C(CCS)(COO)(H)	C(CCH)(COO)(SC)	C(CCH)(OC)(O)	125.2650	1.328	2	125.2650	1.763	2	125.2650	1.763	2	127.6398	30.997	26	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:2:1:	C-3:C-3:H-1:	C[5a]-3:C-3:N-2:	C-3:C-2:H-1:	C(CC[5a]N)(CCH)(H)	C(C[5a]N[5a]2)(CCH)(NC)	C(CCH)(CH)(H)	C(CC[5a]N)(CCH)(H)	C(C[5a]N[5a]2)(CCH)(NC)	C(CCH)(CH)(H)	146.5230	0.000	1	146.5230	0.000	1	146.5230	0.000	1	127.6398	30.997	26	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:N-2:	C-3:C-2:H-1:	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(NN)	C(CCH)(CC)(H)	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(NN)	C(CCH)(CC)(H)	124.6380	0.000	1	124.6380	0.000	1	124.6380	0.000	1	127.6398	30.997	26	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:O-2:O-1:	C(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(CCH)(OC)	C(CCH)(OC)(O)	C(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(CCH)(OC)	C(CCH)(OC)(O)	129.5662	4.778	9	129.5662	22.830	9	127.3728	32.358	12	127.6398	30.997	26	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:O-2:O-1:	C(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C(CCH)(OC)(O)	C(CC[6a]O)(COO)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C(CCH)(OC)(O)	120.7927	0.222	3	120.7927	0.049	3	127.3728	32.358	12	127.6398	30.997	26	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:S-2:S-1:	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a,6a]2)(CCH)(OH)	C(CCH)(SC)(S)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a,6a]2)(CCH)(OH)	C(CCH)(SC)(S)	126.2710	0.000	1	126.2710	0.000	1	125.9712	0.070	4	127.6398	30.997	26	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:S-2:S-1:	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C(CCH)(SC)(S)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C(CCH)(SC)(S)	125.8713	0.211	3	125.8713	0.044	3	125.9712	0.070	4	127.6398	30.997	26	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:2:2:	C-3:C-3:H-1:	C[5a]-3:C-3:O-2:	C-3:S-2:S-2:	C(CC[5a]O)(CSS)(H)	C(C[5a]C[5a]O[5a])(CCH)(OCu)	C(CCH)(SCu)(SC)	C(CC[5a]O)(CSS)(H)	C(C[5a]C[5a]O[5a])(CCH)(OCu)	C(CCH)(SCu)(SC)	128.7810	0.000	1	128.7810	0.000	1	128.7810	0.000	1	127.6834	1.717	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:2:2:	C-3:C-3:H-1:	C[6]-3:C-3:O-2:	C-3:S-2:S-2:	C(CC[6]O)(CSS)(H)	C(C[6]C[6]2)(CCH)(OPt)	C(CCH)(SPt)(SC)	C(CC[6]O)(CSS)(H)	C(C[6]C[6]2)(CCH)(OPt)	C(CCH)(SPt)(SC)	128.4900	0.000	1	128.4900	0.000	1	128.4900	0.000	1	127.6834	1.717	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:2:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:S-2:S-2:	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(OCu)	C(CCH)(SCu)(SC)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(OCu)	C(CCH)(SCu)(SC)	129.0500	0.214	2	129.0500	0.046	2	127.6199	1.767	30	127.6834	1.717	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:2:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:S-2:S-2:	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C(CCH)(SCu)2	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C(CCH)(SCu)2	128.5800	0.000	1	128.5800	0.000	1	127.6199	1.767	30	127.6834	1.717	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:2:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:S-2:S-2:	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	C(CCH)(SNi)(SC)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	C(CCH)(SNi)(SC)	126.1664	0.391	9	126.1664	0.153	9	127.6199	1.767	30	127.6834	1.717	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:2:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:S-2:S-2:	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(OPd)	C(CCH)(SPd)(SC)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(OPd)	C(CCH)(SPd)(SC)	128.5900	0.000	1	128.5900	0.000	1	127.6199	1.767	30	127.6834	1.717	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:2:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:S-2:S-2:	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(OPt)	C(CCH)(SPt)(SC)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(OPt)	C(CCH)(SPt)(SC)	128.1697	1.152	16	128.1697	1.327	16	127.6199	1.767	30	127.6834	1.717	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:2:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:S-2:S-2:	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	C(CCH)(SRu)(SC)	C(CC[6a]O)(CSS)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	C(CCH)(SRu)(SC)	127.1140	0.000	1	127.1140	0.000	1	127.6199	1.767	30	127.6834	1.717	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:Br-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(Br)	C(CBrC)(CCO)(OCu)	C(CBrC)2(H)	C(CCH)(CCO)(Br)	C(CBrC)(CCO)(OCu)	C(CBrC)2(H)	133.0000	0.000	1	133.0000	0.000	1	131.7548	2.129	6	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:Br-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(Br)	C(CBrC)(CCO)(OH)	C(CBrC)(CCH)(H)	C(CCH)(CCO)(Br)	C(CBrC)(CCO)(OH)	C(CBrC)(CCH)(H)	128.8930	0.000	1	128.8930	0.000	1	131.7548	2.129	6	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:Br-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(Br)	C(CBrC)(CCO)(OPd)	C(CBrC)2(H)	C(CCH)(CCO)(Br)	C(CBrC)(CCO)(OPd)	C(CBrC)2(H)	131.9435	0.247	2	131.9435	0.061	2	131.7548	2.129	6	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:Br-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(Br)	C(CBrC)(CCO)(ORe)	C(CBrC)2(H)	C(CCH)(CCO)(Br)	C(CBrC)(CCO)(ORe)	C(CBrC)2(H)	132.3745	0.070	2	132.3745	0.005	2	131.7548	2.129	6	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:Cl-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(Cl)	C(CClC)(CCO)(ORh)	C(CClC)(CCH)(H)	C(CCH)(CCO)(Cl)	C(CClC)(CCO)(ORh)	C(CClC)(CCH)(H)	130.6640	0.011	2	130.6640	0.000	2	130.6640	0.000	2	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:Cl-1:	C-3:C-3:O-2:	C-3:N-3:O-1:	C(CCO)(CNO)(Cl)	C(CClC)(CCO)(OH)	C(CClC)(NCH)(O)	C(CCO)(CNO)(Cl)	C(CClC)(CCO)(OH)	C(CClC)(NCH)(O)	130.6490	0.000	1	130.6490	0.000	1	130.6490	0.000	1	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:C-2:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CCC)(CCH)(CC)	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	C(CCC)(CCH)(CC)	C(CCC)(CCH)(H)	125.4000	0.000	1	125.4000	0.000	1	126.8243	4.514	6	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:C-2:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CCC)(CCH)(CN)	C(CCH)(CCO)(H)	C(CCC)(CCH)(H)	C(CCC)(CCH)(CN)	C(CCH)(CCO)(H)	126.9970	0.000	1	126.9970	0.000	1	126.8243	4.514	6	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:C-2:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CC[5]H)(CCH)(CC)	C(CC[5]H)(CCH)(H)	C(CCC)(CCH)(H)	C(CC[5]H)(CCH)(CC)	C(CC[5]H)(CCH)(H)	130.5700	0.000	1	130.5700	0.000	1	126.8243	4.514	6	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:C-2:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CC[5a]O)(CCH)(CN)	C(CC[6a]H)(CCH)(H)	C(CCC)(CCH)(H)	C(CC[5a]O)(CCH)(CN)	C(CC[6a]H)(CCH)(H)	126.4940	0.000	1	126.4940	0.000	1	126.8243	4.514	6	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:C-2:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CC[6a]C)(CCH)(CN)	C(CCH)2(H)	C(CCC)(CCH)(H)	C(CC[6a]C)(CCH)(CN)	C(CCH)2(H)	127.1620	0.000	1	127.1620	0.000	1	126.8243	4.514	6	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:C-2:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CC[6a]H)(CCH)(CN)	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	C(CC[6a]H)(CCH)(CN)	C(CCC)(CCH)(H)	124.3230	0.000	1	124.3230	0.000	1	126.8243	4.514	6	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:N-2:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(CCH)(CCN)(NC)	C(CCH)2(H)	C(CCH)(CCN)(H)	C(CCH)(CCN)(NC)	C(CCH)2(H)	132.9260	0.147	2	132.9260	0.022	2	132.5983	0.333	3	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:N-2:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(CCH)(CCN)(NS)	C(CCH)2(H)	C(CCH)(CCN)(H)	C(CCH)(CCN)(NS)	C(CCH)2(H)	131.9430	0.000	1	131.9430	0.000	1	132.5983	0.333	3	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CCC)(CCH)(OC)	C(CCH)(CCO)(H)	C(CCH)(CCO)(H)	C(CCC)(CCH)(OC)	C(CCH)(CCO)(H)	129.7840	0.000	1	129.7840	0.000	1	129.6218	5.988	83	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CCH)(CCN)(OAl)	C(CCH)2(H)	C(CCH)(CCO)(H)	C(CCH)(CCN)(OAl)	C(CCH)2(H)	130.3357	0.286	3	130.3357	0.082	3	129.6218	5.988	83	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CCH)(CCN)(OCu)	C(CCH)2(H)	C(CCH)(CCO)(H)	C(CCH)(CCN)(OCu)	C(CCH)2(H)	131.5440	0.165	3	131.5440	0.027	3	129.6218	5.988	83	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CCH)(CCN)(ONi)	C(CCH)2(H)	C(CCH)(CCO)(H)	C(CCH)(CCN)(ONi)	C(CCH)2(H)	131.1035	0.071	2	131.1035	0.005	2	129.6218	5.988	83	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CCH)(CCN)(OPd)	C(CCH)2(H)	C(CCH)(CCO)(H)	C(CCH)(CCN)(OPd)	C(CCH)2(H)	131.3020	0.059	2	131.3020	0.004	2	129.6218	5.988	83	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CCH)(CCN)(OSn)	C(CCH)2(H)	C(CCH)(CCO)(H)	C(CCH)(CCN)(OSn)	C(CCH)2(H)	131.4195	0.071	2	131.4195	0.005	2	129.6218	5.988	83	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CCH)(CCO)(OAg)	C(CCH)2(H)	C(CCH)(CCO)(H)	C(CCH)(CCO)(OAg)	C(CCH)2(H)	132.4880	0.072	2	132.4880	0.005	2	129.6218	5.988	83	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CCH)(CCO)(OC)	C(CCH)2(H)	C(CCH)(CCO)(H)	C(CCH)(CCO)(OC)	C(CCH)2(H)	129.9400	0.000	1	129.9400	0.000	1	129.6218	5.988	83	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CCH)(CCO)(OCo)	C(CCH)2(H)	C(CCH)(CCO)(H)	C(CCH)(CCO)(OCo)	C(CCH)2(H)	131.3300	0.305	2	131.3300	0.093	2	129.6218	5.988	83	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CCH)(CCO)(OCu)	C(CCH)2(H)	C(CCH)(CCO)(H)	C(CCH)(CCO)(OCu)	C(CCH)2(H)	131.9502	0.527	4	131.9502	0.278	4	129.6218	5.988	83	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CCH)(CCO)(OH)	C(CCC)(CCH)(H)	C(CCH)(CCO)(H)	C(CCH)(CCO)(OH)	C(CCC)(CCH)(H)	130.7147	0.594	3	130.7147	0.353	3	129.6218	5.988	83	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CCH)(CCO)(OH)	C(CCH)(CCI)(H)	C(CCH)(CCO)(H)	C(CCH)(CCO)(OH)	C(CCH)(CCI)(H)	130.4080	0.000	1	130.4080	0.000	1	129.6218	5.988	83	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CCH)(CCO)(OH)	C(CCH)(CCN)(H)	C(CCH)(CCO)(H)	C(CCH)(CCO)(OH)	C(CCH)(CCN)(H)	130.1930	0.062	4	130.1930	0.004	4	129.6218	5.988	83	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CCH)(CCO)(OH)	C(CCH)(CCO)(H)	C(CCH)(CCO)(H)	C(CCH)(CCO)(OH)	C(CCH)(CCO)(H)	130.9730	1.095	2	130.9730	1.198	2	129.6218	5.988	83	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CCH)(CCO)(OH)	C(CCH)2(H)	C(CCH)(CCO)(H)	C(CCH)(CCO)(OH)	C(CCH)2(H)	129.9085	0.475	11	129.9085	0.225	11	129.6218	5.988	83	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CCH)(CCO)(OLi)	C(CCH)2(H)	C(CCH)(CCO)(H)	C(CCH)(CCO)(OLi)	C(CCH)2(H)	131.7840	0.000	1	131.7840	0.000	1	129.6218	5.988	83	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CCH)(CCO)(ORh)	C(CCH)(CCN)(H)	C(CCH)(CCO)(H)	C(CCH)(CCO)(ORh)	C(CCH)(CCN)(H)	131.1515	0.357	2	131.1515	0.128	2	129.6218	5.988	83	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CCH)(CCO)(ORh)	C(CCH)2(H)	C(CCH)(CCO)(H)	C(CCH)(CCO)(ORh)	C(CCH)2(H)	131.0800	0.494	2	131.0800	0.244	2	129.6218	5.988	83	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CCH)(CCO)(OS)	C(CCH)2(H)	C(CCH)(CCO)(H)	C(CCH)(CCO)(OS)	C(CCH)2(H)	129.3380	0.000	1	129.3380	0.000	1	129.6218	5.988	83	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CCH)(CCO)(OSn)	C(CCH)2(H)	C(CCH)(CCO)(H)	C(CCH)(CCO)(OSn)	C(CCH)2(H)	130.8786	0.899	10	130.8786	0.808	10	129.6218	5.988	83	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CCH)(CCO)(OZn)	C(CCH)2(H)	C(CCH)(CCO)(H)	C(CCH)(CCO)(OZn)	C(CCH)2(H)	131.3940	0.242	2	131.3940	0.058	2	129.6218	5.988	83	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CCH)2(OH)	C(CCH)2(H)	C(CCH)(CCO)(H)	C(CCH)2(OH)	C(CCH)2(H)	128.7735	0.256	8	128.7735	0.065	8	129.6218	5.988	83	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CC[6]H)(CCH)(OH)	C(CCH)(CHN)(H)	C(CCH)(CCO)(H)	C(CC[6]H)(CCH)(OH)	C(CCH)(CHN)(H)	125.0953	1.154	6	125.0953	1.333	6	129.6218	5.988	83	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CC[6]H)(CCH)(OH)	C(CN[5]H)(CCH)(H)	C(CCH)(CCO)(H)	C(CC[6]H)(CCH)(OH)	C(CN[5]H)(CCH)(H)	124.9110	0.950	2	124.9110	0.903	2	129.6218	5.988	83	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CC[6]H)(CCH)(OH)	C(CN[6]H)(CCH)(H)	C(CCH)(CCO)(H)	C(CC[6]H)(CCH)(OH)	C(CN[6]H)(CCH)(H)	125.6910	0.000	1	125.6910	0.000	1	129.6218	5.988	83	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CC[6a]C)(CCH)(OC)	C(CCH)2(H)	C(CCH)(CCO)(H)	C(CC[6a]C)(CCH)(OC)	C(CCH)2(H)	123.3812	1.431	4	123.3812	2.046	4	129.6218	5.988	83	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CC[6a]C)(CCH)(OH)	C(CC[6a]O)(CCH)(H)	C(CCH)(CCO)(H)	C(CC[6a]C)(CCH)(OH)	C(CC[6a]O)(CCH)(H)	128.9370	0.000	1	128.9370	0.000	1	129.6218	5.988	83	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:C-3:O-1:	C(CCO)2(H)	C(CCH)(COO)(OH)	C(CCC)(CCH)(O)	C(CCO)2(H)	C(CCH)(COO)(OH)	C(CCC)(CCH)(O)	119.9890	0.607	2	119.9890	0.368	2	121.0545	0.780	14	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:C-3:O-1:	C(CCO)2(H)	C(CCH)2(OH)	C(CCH)2(O)	C(CCO)2(H)	C(CCH)2(OH)	C(CCH)2(O)	121.2321	0.805	12	121.2321	0.648	12	121.0545	0.780	14	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:S-2:	C-3:C-3:H-1:	C(CCH)(CCS)(H)	C(CCH)(CCO)(SC)	C(CCH)2(H)	C(CCH)(CCS)(H)	C(CCH)(CCO)(SC)	C(CCH)2(H)	129.5725	0.837	2	129.5725	0.700	2	130.5902	0.967	6	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:S-2:	C-3:C-3:H-1:	C(CCH)(CCS)(H)	C(CCH)(CCS)(SCo)	C(CCH)2(H)	C(CCH)(CCS)(H)	C(CCH)(CCS)(SCo)	C(CCH)2(H)	131.0990	0.586	4	131.0990	0.343	4	130.5902	0.967	6	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C-3:N-3:N-2:	C-3:C-3:H-1:	C(CCH)(CNN)(H)	C(CCH)(NHH)(NO)	C(CCH)(CNN)(H)	C(CCH)(CNN)(H)	C(CCH)(NHH)(NO)	C(CCH)(CNN)(H)	124.5450	0.928	2	124.5450	0.861	2	124.5450	0.861	2	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:O-2:	C-3:C-3:H-1:	C(CC[5]O)(CCH)(H)	C(C[5]C[5,6]C[5])(CCH)(OC)	C(CCH)2(H)	C(CC[5]O)(CCH)(H)	C(C[5]C[5,6]C[5])(CCH)(OC)	C(CCH)2(H)	129.0970	0.000	1	129.0970	0.000	1	127.5672	5.749	5	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:O-2:	C-3:C-3:H-1:	C(CC[5]O)(CCH)(H)	C(C[5]C[5,6a]C[5])(CCH)(OC)	C(CCH)2(H)	C(CC[5]O)(CCH)(H)	C(C[5]C[5,6a]C[5])(CCH)(OC)	C(CCH)2(H)	128.5630	0.000	1	128.5630	0.000	1	127.5672	5.749	5	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:O-2:	C-3:C-3:H-1:	C(CC[5]O)(CCH)(H)	C(C[5]C[5]2)(CCH)(OC)	C(CCH)2(H)	C(CC[5]O)(CCH)(H)	C(C[5]C[5]2)(CCH)(OC)	C(CCH)2(H)	128.4305	0.303	2	128.4305	0.092	2	127.5672	5.749	5	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:O-2:	C-3:C-3:H-1:	C(CC[5]O)(CCH)(H)	C(C[5]C[5]2)(CCH)(OH)	C(CCH)2(H)	C(CC[5]O)(CCH)(H)	C(C[5]C[5]2)(CCH)(OH)	C(CCH)2(H)	123.3150	0.000	1	123.3150	0.000	1	127.5672	5.749	5	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:O-2:	C[5a]-3:C-3:O-1:	C(CC[5a]O)2(H)	C(C[5a]C[5a]O[5a])(CCH)(OH)	C(C[5a]C[5a]N[5a])(CCH)(O)	C(CC[5a]O)2(H)	C(C[5a]C[5a]O[5a])(CCH)(OH)	C(C[5a]C[5a]N[5a])(CCH)(O)	121.3580	0.000	1	121.3580	0.000	1	121.3580	0.000	1	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[6]-3:C-3:O-2:	C-3:N-3:H-1:	C(CC[6]O)(CHN)(H)	C(C[6]C[6]N[6])(CCH)(OCo)	C(CCH)(NCC)(H)	C(CC[6]O)(CHN)(H)	C(C[6]C[6]N[6])(CCH)(OCo)	C(CCH)(NCC)(H)	119.6930	0.000	1	119.6930	0.000	1	119.3670	0.082	3	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[6]-3:C-3:O-2:	C-3:N-3:H-1:	C(CC[6]O)(CHN)(H)	C(C[6]C[6]N[6])(CCH)(OMn)	C(CCH)(NCC)(H)	C(CC[6]O)(CHN)(H)	C(C[6]C[6]N[6])(CCH)(OMn)	C(CCH)(NCC)(H)	119.1530	0.000	1	119.1530	0.000	1	119.3670	0.082	3	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[6]-3:C-3:O-2:	C-3:N-3:H-1:	C(CC[6]O)(CHN)(H)	C(C[6]C[6]N[6])(CCH)(ONi)	C(CCH)(NCC)(H)	C(CC[6]O)(CHN)(H)	C(C[6]C[6]N[6])(CCH)(ONi)	C(CCH)(NCC)(H)	119.2550	0.000	1	119.2550	0.000	1	119.3670	0.082	3	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-2:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(CN)	C(CCC)(CCH)(H)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(CN)	C(CCC)(CCH)(H)	124.6170	0.000	1	124.6170	0.000	1	125.4065	1.247	2	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-2:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(CN)	C(CC[6a]H)(CCH)(H)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(CN)	C(CC[6a]H)(CCH)(H)	126.1960	0.000	1	126.1960	0.000	1	125.4065	1.247	2	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-2:	C-3:N-3:H-1:	C(CC[6a]C)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(CN)	C(CCH)(NCC)(H)	C(CC[6a]C)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(CN)	C(CCH)(NCC)(H)	121.4720	0.000	1	121.4720	0.000	1	121.4720	0.000	1	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:N-2:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NN)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NN)	C(C[6a]C[6a]2)(CCH)(H)	125.0737	0.523	7	125.0737	0.274	7	124.6792	1.053	13	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:N-2:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NO)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NO)	C(C[6a]C[6a]2)(CCH)(H)	124.2190	1.314	6	124.2190	1.727	6	124.6792	1.053	13	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:C-3:H-1:	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(OC)	C(CCH)(CHO)(H)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(OC)	C(CCH)(CHO)(H)	126.8510	0.000	1	126.8510	0.000	1	126.0517	0.855	3	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:C-3:H-1:	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(OS)	C(CCH)2(H)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(OS)	C(CCH)2(H)	125.6520	0.867	2	125.6520	0.752	2	126.0517	0.855	3	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:C-3:O-1:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OC)	C(CCH)(COO)(O)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OC)	C(CCH)(COO)(O)	125.2830	0.000	1	125.2830	0.000	1	122.6175	14.210	2	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:C-3:O-1:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C(CCH)(COO)(O)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C(CCH)(COO)(O)	119.9520	0.000	1	119.9520	0.000	1	122.6175	14.210	2	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-3:N-3:O-1:	C(CC[6a]O)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(OC)	C(CCH)(NCC)(O)	C(CC[6a]O)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(OC)	C(CCH)(NCC)(O)	129.9725	6.116	2	129.9725	37.403	2	129.9725	37.403	2	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C[5a]-3:C-3:O-1:	C(CC[5a]O)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(CCH)(OH)	C(C[5a]C[5a]N[5a])(CCH)(O)	C(CC[5a]O)(CC[6a]O)(H)	C(C[6a]C[6a]N[6a])(CCH)(OH)	C(C[5a]C[5a]N[5a])(CCH)(O)	121.0580	0.000	1	121.0580	0.000	1	121.0580	0.000	1	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	C(C[6a]C[6a]2)(CCH)(H)	121.9400	0.000	1	121.9400	0.000	1	121.9400	0.000	1	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:O-1:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OH)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OH)	C(C[6a]C[6a]2)(CCH)(O)	121.0564	1.004	31	121.0564	1.007	31	121.2130	1.772	33	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:O-1:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OS)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OS)	C(C[6a]C[6a]2)(CCH)(O)	126.2800	0.000	1	126.2800	0.000	1	121.2130	1.772	33	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:O-1:	C(CC[6a]O)2(H)	C(C[6a]C[6a]N[6a])(CCH)(OH)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]O)2(H)	C(C[6a]C[6a]N[6a])(CCH)(OH)	C(C[6a]C[6a]2)(CCH)(O)	121.0020	0.000	1	121.0020	0.000	1	121.2130	1.772	33	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:S-1:	C(CC[6a]O)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C(C[6a]C[6a]2)(CCH)(S)	C(CC[6a]O)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C(C[6a]C[6a]2)(CCH)(S)	125.8980	0.000	1	125.8980	0.000	1	125.8980	0.000	1	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	N-3:C-3:H-1:	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a,6a]2)(CCH)(ONi)	C(NC[6a]Ni)(CCH)(H)	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a,6a]2)(CCH)(ONi)	C(NC[6a]Ni)(CCH)(H)	123.8350	0.000	1	123.8350	0.000	1	123.9549	2.933	8	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	N-3:C-3:H-1:	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(ONi)	C(NC[6a]Ni)(CCH)(H)	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(ONi)	C(NC[6a]Ni)(CCH)(H)	122.5765	0.672	2	122.5765	0.452	2	123.9549	2.933	8	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	N-3:C-3:H-1:	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	C(NC[6a]Ni)(CCH)(H)	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	C(NC[6a]Ni)(CCH)(H)	123.1533	0.369	3	123.1533	0.136	3	123.9549	2.933	8	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	N-3:C-3:H-1:	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	C(NC[6a]Ru)(CCH)(H)	C(CC[6a]O)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	C(NC[6a]Ru)(CCH)(H)	126.5955	0.344	2	126.5955	0.119	2	123.9549	2.933	8	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	N-3:C-3:O-1:	C(CC[6a]O)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(OC)	C(NC[6a]C)(CCH)(O)	C(CC[6a]O)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(OC)	C(NC[6a]C)(CCH)(O)	135.5690	0.000	1	135.5690	0.000	1	135.5690	0.000	1	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	N-3:C-3:S-1:	C(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C(NC[6a]H)(CCH)(S)	C(CC[6a]O)(CNS)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C(NC[6a]H)(CCH)(S)	127.0000	0.000	1	127.0000	0.000	1	127.0000	0.000	1	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:S-2:	C-3:C-3:H-1:	C(CC[6a]S)(CCH)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(SPt)	C(CPtH)(CCH)(H)	C(CC[6a]S)(CCH)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(SPt)	C(CPtH)(CCH)(H)	128.7790	0.000	1	128.7790	0.000	1	127.7900	1.956	2	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:S-2:	C-3:C-3:H-1:	C(CC[6a]S)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(SC)	C(CC[6a]S)(CCH)(H)	C(CC[6a]S)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(SC)	C(CC[6a]S)(CCH)(H)	126.8010	0.000	1	126.8010	0.000	1	127.7900	1.956	2	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:S-2:	C[5]-3:C-3:H-1:	C(CC[6a]S)(CC[5]H)(H)	C(C[6a]C[6a]2)(CCH)(SC)	C(C[5]C[5]2)(CCH)(H)	C(CC[6a]S)(CC[5]H)(H)	C(C[6a]C[6a]2)(CCH)(SC)	C(C[5]C[5]2)(CCH)(H)	120.4830	0.000	1	120.4830	0.000	1	120.4830	0.000	1	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:S-2:	C[6a]-3:C-3:O-1:	C(CC[6a]O)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CCH)(SC)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]O)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CCH)(SC)	C(C[6a]C[6a]2)(CCH)(O)	123.6100	0.000	1	123.6100	0.000	1	123.6100	0.000	1	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:S-2:	N-3:C-3:H-1:	C(CC[6a]S)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(SNi)	C(NC[6]Ni)(CCH)(H)	C(CC[6a]S)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(SNi)	C(NC[6]Ni)(CCH)(H)	127.1447	1.252	6	127.1447	1.567	6	127.1447	1.567	6	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CNO)(H)	C(NFeN)(CCH)(OFe)	C(CCH)(COO)(H)	C(CCH)(CNO)(H)	C(NFeN)(CCH)(OFe)	C(CCH)(COO)(H)	125.6703	2.653	3	125.6703	7.040	3	125.6703	7.040	3	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	N[5]-3:C-3:O-2:	C-3:C-3:H-1:	C(CN[5]O)(CCH)(H)	C(N[5]C[5]2)(CCH)(OSi)	C(CCC)(CCH)(H)	C(CN[5]O)(CCH)(H)	C(N[5]C[5]2)(CCH)(OSi)	C(CCC)(CCH)(H)	119.7615	0.059	2	119.7615	0.003	2	122.0375	8.299	4	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	N[5]-3:C-3:O-2:	C-3:C-3:H-1:	C(CN[5]O)(CCH)(H)	C(N[5]C[5]2)(CCH)(OSi)	C(CCH)(CHH)(H)	C(CN[5]O)(CCH)(H)	C(N[5]C[5]2)(CCH)(OSi)	C(CCH)(CHH)(H)	124.3135	2.043	2	124.3135	4.173	2	122.0375	8.299	4	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	N[5]-3:C-3:O-2:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5,6]C[5])(CCH)(OCu)	C(C[6a]C[6a]N[6a])(CCH)(H)	C(CC[6a]H)(CN[5]O)(H)	C(N[5]C[5,6]C[5])(CCH)(OCu)	C(C[6a]C[6a]N[6a])(CCH)(H)	119.7490	0.000	1	119.7490	0.000	1	119.7490	0.000	1	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:H-1:	O-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(COO)(H)	C(OCo2)(CCH)(OCo)	C(CCH)(COO)(H)	C(CCH)(COO)(H)	C(OCo2)(CCH)(OCo)	C(CCH)(COO)(H)	124.9830	0.000	1	124.9830	0.000	1	124.9830	0.000	1	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:O-1:	C-3:C-3:O-2:	C-3:C-3:Br-1:	C(CBrC)(CCO)(O)	C(CBrC)(CCO)(OH)	C(CCC)(CCO)(Br)	C(CBrC)(CCO)(O)	C(CBrC)(CCO)(OH)	C(CCC)(CCO)(Br)	124.6500	0.000	1	124.6500	0.000	1	124.6500	0.000	1	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:O-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(O)	C(CCH)(CCO)(OC)	C(CCH)(CCO)(H)	C(CCH)(CCO)(O)	C(CCH)(CCO)(OC)	C(CCH)(CCO)(H)	121.4145	0.743	2	121.4145	0.552	2	122.5495	0.743	15	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:O-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(O)	C(CCH)(CCO)(OH)	C(CCH)(CCO)(H)	C(CCH)(CCO)(O)	C(CCH)(CCO)(OH)	C(CCH)(CCO)(H)	122.8241	0.512	11	122.8241	0.262	11	122.5495	0.743	15	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:O-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(O)	C(CCH)(CCO)(OS)	C(CCH)(CCO)(H)	C(CCH)(CCO)(O)	C(CCH)(CCO)(OS)	C(CCH)(CCO)(H)	120.8420	0.000	1	120.8420	0.000	1	122.5495	0.743	15	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:O-1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(O)	C(CClC)(CCO)(OH)	C(CCN)(CCO)(H)	C(CCH)(CCO)(O)	C(CClC)(CCO)(OH)	C(CCN)(CCO)(H)	123.5060	0.000	1	123.5060	0.000	1	122.5495	0.743	15	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:O-1:	C-3:C-3:O-2:	C-3:C-3:I-1:	C(CCI)(CCO)(O)	C(CCH)(CCO)(OH)	C(CCH)(CCO)(I)	C(CCI)(CCO)(O)	C(CCH)(CCO)(OH)	C(CCH)(CCO)(I)	122.1340	0.000	1	122.1340	0.000	1	122.1340	0.000	1	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:1:	C-3:C-3:O-1:	C-3:C-3:O-2:	C-3:N-3:O-1:	C(CCO)(CNO)(O)	C(CCO)(CHN)(OC)	C(CCO)(NCC)(O)	C(CCO)(CNO)(O)	C(CCO)(CHN)(OC)	C(CCO)(NCC)(O)	117.7550	0.304	2	117.7550	0.092	2	117.7550	0.092	2	126.0966	18.479	239	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:2:	C-3:C-3:H-1:	C-3:C-3:C-2:	C-3:C-3:C-2:	C(CCC)2(H)	C(CC[6a]O)(CCH)(CN)	C(CC[6a]O)(CCH)(CN)	C(CCC)2(H)	C(CC[6a]O)(CCH)(CN)	C(CC[6a]O)(CCH)(CN)	132.6820	0.767	2	132.6820	0.588	2	132.6820	0.588	2	125.0280	5.008	124	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:2:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:C-3:O-2:	C(CCO)2(H)	C(CCH)(CHH)(ORu)	C(CCH)(CHH)(ORu)	C(CCO)2(H)	C(CCH)(CHH)(ORu)	C(CCH)(CHH)(ORu)	128.5970	0.000	1	128.5970	0.000	1	127.3638	0.722	4	125.0280	5.008	124	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:2:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:C-3:O-2:	C(CCO)2(H)	C(CCH)2(ORh)	C(CCH)2(ORh)	C(CCO)2(H)	C(CCH)2(ORh)	C(CCH)2(ORh)	127.1940	0.000	1	127.1940	0.000	1	127.3638	0.722	4	125.0280	5.008	124	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:2:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:C-3:O-2:	C(CCO)2(H)	C(CCH)2(ORu)	C(CCH)2(ORu)	C(CCO)2(H)	C(CCH)2(ORu)	C(CCH)2(ORu)	126.9910	0.000	1	126.9910	0.000	1	127.3638	0.722	4	125.0280	5.008	124	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:2:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-3:C-3:O-2:	C(CCO)2(H)	C(CCH)2(OZn)	C(CCH)2(OZn)	C(CCO)2(H)	C(CCH)2(OZn)	C(CCH)2(OZn)	126.6730	0.000	1	126.6730	0.000	1	127.3638	0.722	4	125.0280	5.008	124	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:2:	C-3:C-3:H-1:	C[6]-3:C-3:O-2:	C[6]-3:C-3:O-2:	C(CC[6]O)2(H)	C(C[6]C[6]N[6])(CCH)(ONi)	C(C[6]C[6]N[6])(CCH)(ONi)	C(CC[6]O)2(H)	C(C[6]C[6]N[6])(CCH)(ONi)	C(C[6]C[6]N[6])(CCH)(ONi)	122.5830	0.000	1	122.5830	0.000	1	122.5830	0.000	1	125.0280	5.008	124	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:C-2:	C-3:N-3:C-2:	C(CC[6a]C)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(CN)	C(CCH)(NCC)(CN)	C(CC[6a]C)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(CN)	C(CCH)(NCC)(CN)	128.8640	0.000	1	128.8640	0.000	1	128.8640	0.000	1	125.0280	5.008	124	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:N-2:	C[6a]-3:C-3:O-2:	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(NC)	C(C[6a]C[6a]2)(CCH)(OC)	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(NC)	C(C[6a]C[6a]2)(CCH)(OC)	127.0455	3.635	2	127.0455	13.215	2	127.0455	13.215	2	125.0280	5.008	124	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:O-2:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OAl)	C(C[6a]C[6a]2)(CCH)(OAl)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OAl)	C(C[6a]C[6a]2)(CCH)(OAl)	122.7237	0.654	7	122.7237	0.428	7	124.7190	3.234	109	125.0280	5.008	124	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:O-2:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OCd)	C(C[6a]C[6a]2)(CCH)(OCd)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OCd)	C(C[6a]C[6a]2)(CCH)(OCd)	126.8405	0.292	2	126.8405	0.085	2	124.7190	3.234	109	125.0280	5.008	124	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:O-2:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OCo)	C(C[6a]C[6a]2)(CCH)(OCo)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OCo)	C(C[6a]C[6a]2)(CCH)(OCo)	125.3216	0.812	11	125.3216	0.659	11	124.7190	3.234	109	125.0280	5.008	124	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:O-2:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OCr)	C(C[6a]C[6a]2)(CCH)(OCr)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OCr)	C(C[6a]C[6a]2)(CCH)(OCr)	123.5711	0.461	9	123.5711	0.213	9	124.7190	3.234	109	125.0280	5.008	124	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:O-2:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OCu)	C(C[6a]C[6a]2)(CCH)(OCu)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OCu)	C(C[6a]C[6a]2)(CCH)(OCu)	122.9469	0.902	25	122.9469	0.814	25	124.7190	3.234	109	125.0280	5.008	124	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:O-2:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OFe)	C(C[6a]C[6a]2)(CCH)(OFe)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OFe)	C(C[6a]C[6a]2)(CCH)(OFe)	122.6185	0.221	2	122.6185	0.049	2	124.7190	3.234	109	125.0280	5.008	124	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:O-2:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OIr)	C(C[6a]C[6a]2)(CCH)(OIr)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OIr)	C(C[6a]C[6a]2)(CCH)(OIr)	127.9378	0.784	5	127.9378	0.615	5	124.7190	3.234	109	125.0280	5.008	124	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:O-2:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OMn)	C(C[6a]C[6a]2)(CCH)(OMn)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OMn)	C(C[6a]C[6a]2)(CCH)(OMn)	123.8117	0.111	3	123.8117	0.012	3	124.7190	3.234	109	125.0280	5.008	124	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:O-2:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(ONi)	C(C[6a]C[6a]2)(CCH)(ONi)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(ONi)	C(C[6a]C[6a]2)(CCH)(ONi)	124.9949	0.944	18	124.9949	0.892	18	124.7190	3.234	109	125.0280	5.008	124	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:O-2:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OOs)	C(C[6a]C[6a]2)(CCH)(OOs)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OOs)	C(C[6a]C[6a]2)(CCH)(OOs)	125.7565	1.017	4	125.7565	1.034	4	124.7190	3.234	109	125.0280	5.008	124	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:O-2:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OPd)	C(C[6a]C[6a]2)(CCH)(OPd)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OPd)	C(C[6a]C[6a]2)(CCH)(OPd)	126.8745	0.296	2	126.8745	0.088	2	124.7190	3.234	109	125.0280	5.008	124	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:O-2:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OPt)	C(C[6a]C[6a]2)(CCH)(OPt)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OPt)	C(C[6a]C[6a]2)(CCH)(OPt)	126.8227	0.871	12	126.8227	0.759	12	124.7190	3.234	109	125.0280	5.008	124	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:O-2:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(ORh)	C(C[6a]C[6a]2)(CCH)(ORh)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(ORh)	C(C[6a]C[6a]2)(CCH)(ORh)	126.6257	0.354	3	126.6257	0.125	3	124.7190	3.234	109	125.0280	5.008	124	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:O-2:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(ORu)	C(C[6a]C[6a]2)(CCH)(ORu)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(ORu)	C(C[6a]C[6a]2)(CCH)(ORu)	126.2565	1.374	2	126.2565	1.888	2	124.7190	3.234	109	125.0280	5.008	124	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:O-2:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OZn)	C(C[6a]C[6a]2)(CCH)(OZn)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(CCH)(OZn)	C(C[6a]C[6a]2)(CCH)(OZn)	125.7707	0.958	3	125.7707	0.918	3	124.7190	3.234	109	125.0280	5.008	124	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:O-2:	C(CC[6a]O)2(H)	C(C[6a]C[6a]N[6a])(CCH)(OFe)	C(C[6a]C[6a]2)(CCH)(OFe)	C(CC[6a]O)2(H)	C(C[6a]C[6a]N[6a])(CCH)(OFe)	C(C[6a]C[6a]2)(CCH)(OFe)	122.6510	0.000	1	122.6510	0.000	1	124.7190	3.234	109	125.0280	5.008	124	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:2:	C-3:C-3:H-1:	N-3:C-3:O-2:	N-3:C-3:O-2:	C(CNO)2(H)	C(NC[6a]Rh)(CCH)(OC)	C(NC[6a]Rh)(CCH)(OC)	C(CNO)2(H)	C(NC[6a]Rh)(CCH)(OC)	C(NC[6a]Rh)(CCH)(OC)	126.0380	0.000	1	126.0380	0.000	1	126.0380	0.000	1	125.0280	5.008	124	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:2:	C-3:C-3:H-1:	N[6]-3:C-3:C-2:	C[6a]-3:C-3:N-2:	C(CC[6a]N)(CN[6]C)(H)	C(N[6]C[6]N[6])(CCH)(CN)	C(C[6a]C[6a]2)(CCH)(NN)	C(CC[6a]N)(CN[6]C)(H)	C(N[6]C[6]N[6])(CCH)(CN)	C(C[6a]C[6a]2)(CCH)(NN)	132.8090	0.000	1	132.8090	0.000	1	132.8090	0.000	1	125.0280	5.008	124	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:2:	C-3:C-3:O-1:	C-3:C-3:O-2:	C-3:C-3:O-2:	C(CCO)2(O)	C(CCC)(CCO)(OH)	C(CCH)(CCO)(OH)	C(CCO)2(O)	C(CCC)(CCO)(OH)	C(CCH)(CCO)(OH)	124.1530	0.000	1	124.1530	0.000	1	123.8560	0.176	2	125.0280	5.008	124	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:2:	C-3:C-3:O-1:	C-3:C-3:O-2:	C-3:C-3:O-2:	C(CCO)2(O)	C(CCH)(CCO)(OH)	C(CCH)(CCO)(OH)	C(CCO)2(O)	C(CCH)(CCO)(OH)	C(CCH)(CCO)(OH)	123.5590	0.000	1	123.5590	0.000	1	123.8560	0.176	2	125.0280	5.008	124	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:2:	C-3:C-3:O-1:	C-3:C-3:S-2:	C-3:C-3:S-2:	C(CCS)2(O)	C(CCH)(CCO)(SC)	C(CCH)(CCO)(SC)	C(CCS)2(O)	C(CCH)(CCO)(SC)	C(CCH)(CCO)(SC)	122.1920	0.000	1	122.1920	0.000	1	122.1920	0.000	1	125.0280	5.008	124	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:3:	C-3:C-3:H-1:	C[5]-3:C-3:O-2:	C-3:C-3:C-3:	C(CC[5]O)(CCC)(H)	C(C[5]C[5]2)(CCH)(OC)	C(CCH)2(COO)	C(CC[5]O)(CCC)(H)	C(C[5]C[5]2)(CCH)(OC)	C(CCH)2(COO)	128.9890	0.000	1	128.9890	0.000	1	128.9890	0.000	1	127.1170	2.080	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NN)	C(C[6a]C[6a]2)2(CCH)	C(CC[6a]2)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NN)	C(C[6a]C[6a]2)2(CCH)	126.9475	0.572	2	126.9475	0.327	2	126.9475	0.327	2	127.1170	2.080	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:3:3:	C-3:C-3:I-1:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]2)(CC[6a]N)(I)	C(C[6a]C[6a]2)(CCI)(NS)	C(C[6a]C[6a]2)2(CCI)	C(CC[6a]2)(CC[6a]N)(I)	C(C[6a]C[6a]2)(CCI)(NS)	C(C[6a]C[6a]2)2(CCI)	125.5840	0.000	1	125.5840	0.000	1	125.5840	0.000	1	127.1170	2.080	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:4:3:	C-3:C-3:H-1:	C[5]-3:C-3:O-2:	N-3:C-4:C-3:	C(CC[5]O)(CCN)(H)	C(C[5]C[5]2)(CCH)(OH)	C(NC[6a]H)(CH3)(CCH)	C(CC[5]O)(CCN)(H)	C(C[5]C[5]2)(CCH)(OH)	C(NC[6a]H)(CH3)(CCH)	126.3060	0.399	2	126.3060	0.159	2	126.3060	0.159	2	126.8606	3.616	55	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-2:	C-3:C-4:C-3:	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(CC)	C(CC[6a]C)(CH3)(CCH)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(CC)	C(CC[6a]C)(CH3)(CCH)	132.4095	0.151	2	132.4095	0.023	2	132.4095	0.023	2	126.8606	3.616	55	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	N-3:C-4:C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(OPd)	C(NC[6a]Pd)(CF3)(CCH)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a,6a]C[6a])(CCH)(OPd)	C(NC[6a]Pd)(CF3)(CCH)	127.3617	0.692	3	127.3617	0.478	3	126.6648	2.618	51	126.8606	3.616	55	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	N-3:C-4:C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OCo)	C(NC[6a]Co)(CH3)(CCH)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OCo)	C(NC[6a]Co)(CH3)(CCH)	128.5114	0.691	5	128.5114	0.477	5	126.6648	2.618	51	126.8606	3.616	55	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	N-3:C-4:C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OCo)	C(NCoC)(CH3)(CCH)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OCo)	C(NCoC)(CH3)(CCH)	127.5973	1.950	7	127.5973	3.801	7	126.6648	2.618	51	126.8606	3.616	55	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	N-3:C-4:C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OCr)	C(NC[6a]Cr)(CH3)(CCH)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OCr)	C(NC[6a]Cr)(CH3)(CCH)	125.4825	0.176	2	125.4825	0.031	2	126.6648	2.618	51	126.8606	3.616	55	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	N-3:C-4:C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OCu)	C(NCuC)(CH3)(CCH)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OCu)	C(NCuC)(CH3)(CCH)	125.8738	1.012	8	125.8738	1.025	8	126.6648	2.618	51	126.8606	3.616	55	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	N-3:C-4:C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OFe)	C(NFeN)(CH3)(CCH)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OFe)	C(NFeN)(CH3)(CCH)	126.3925	0.291	2	126.3925	0.084	2	126.6648	2.618	51	126.8606	3.616	55	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	N-3:C-4:C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OMn)	C(NMnC)(CH3)(CCH)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OMn)	C(NMnC)(CH3)(CCH)	125.4500	0.492	2	125.4500	0.242	2	126.6648	2.618	51	126.8606	3.616	55	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	N-3:C-4:C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OMo)	C(NMoN)(CH3)(CCH)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OMo)	C(NMoN)(CH3)(CCH)	127.1727	1.264	3	127.1727	1.597	3	126.6648	2.618	51	126.8606	3.616	55	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	N-3:C-4:C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	C(NC[6a]Ni)(CF3)(CCH)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	C(NC[6a]Ni)(CF3)(CCH)	125.5680	0.000	1	125.5680	0.000	1	126.6648	2.618	51	126.8606	3.616	55	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	N-3:C-4:C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	C(NC[6a]Ni)(CH3)(CCH)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	C(NC[6a]Ni)(CH3)(CCH)	126.4485	0.490	6	126.4485	0.240	6	126.6648	2.618	51	126.8606	3.616	55	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	N-3:C-4:C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	C(NNiC)(CH3)(CCH)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	C(NNiC)(CH3)(CCH)	124.8812	1.849	5	124.8812	3.417	5	126.6648	2.618	51	126.8606	3.616	55	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	N-3:C-4:C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	C(NC[6a]Ru)(CH3)(CCH)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	C(NC[6a]Ru)(CH3)(CCH)	126.5380	0.000	1	126.5380	0.000	1	126.6648	2.618	51	126.8606	3.616	55	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	N-3:C-4:C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OZn)	C(NC[6a]Zn)(CF3)(CCH)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OZn)	C(NC[6a]Zn)(CF3)(CCH)	124.5460	0.119	2	124.5460	0.014	2	126.6648	2.618	51	126.8606	3.616	55	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	N-3:C-4:C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OZn)	C(NZnC)(CH3)(CCH)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OZn)	C(NZnC)(CH3)(CCH)	128.3900	0.361	3	128.3900	0.131	3	126.6648	2.618	51	126.8606	3.616	55	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	N-3:C-4:C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OZn)	C(NZnN)(CH3)(CCH)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(OZn)	C(NZnN)(CH3)(CCH)	129.4570	0.000	1	129.4570	0.000	1	126.6648	2.618	51	126.8606	3.616	55	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:1:	C-3:C-3:H-1:	C-3:C-3:C-2:	C-4:C-3:H-1:	C(CCC)(CCH)(H)	C(CC[6a]H)(CCH)(CN)	C(CC[6a]HH)(CCH)(H)	C(CCC)(CCH)(H)	C(CC[6a]H)(CCH)(CN)	C(CC[6a]HH)(CCH)(H)	127.0270	0.000	1	127.0270	0.000	1	127.0270	0.000	1	122.0174	10.522	24	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-4:C-3:H-1:	C(CCH)(CCO)(H)	C(CBrH)(CCH)(OC)	C(CCHH)(CCH)(H)	C(CCH)(CCO)(H)	C(CBrH)(CCH)(OC)	C(CCHH)(CCH)(H)	124.9100	0.000	1	124.9100	0.000	1	124.7035	0.085	2	122.0174	10.522	24	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:1:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-4:C-3:H-1:	C(CCH)(CCO)(H)	C(CCC)(CCH)(OC)	C(CCCH)(CCH)(H)	C(CCH)(CCO)(H)	C(CCC)(CCH)(OC)	C(CCCH)(CCH)(H)	124.4970	0.000	1	124.4970	0.000	1	124.7035	0.085	2	122.0174	10.522	24	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:S-2:	C-4:C-3:O-1:	C(CC[5a]S)(CCO)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(SC)	C(CCHH)(CCH)(O)	C(CC[5a]S)(CCO)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(SC)	C(CCHH)(CCH)(O)	129.3150	0.000	1	129.3150	0.000	1	129.3150	0.000	1	122.0174	10.522	24	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-2:	C-4:C-3:H-1:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(CFe)	C(CH3)(CCH)(H)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(CFe)	C(CH3)(CCH)(H)	114.2070	0.000	1	114.2070	0.000	1	114.2070	0.000	1	122.0174	10.522	24	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:N-2:	C-4:C-3:H-1:	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(NS)	C(CF3)(CCH)(H)	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(NS)	C(CF3)(CCH)(H)	123.9600	0.000	1	123.9600	0.000	1	123.9600	0.000	1	122.0174	10.522	24	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-4:C-3:O-1:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OC)	C(CCHH)(CCH)(O)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OC)	C(CCHH)(CCH)(O)	126.9300	0.000	1	126.9300	0.000	1	121.1245	3.874	11	122.0174	10.522	24	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-4:C-3:O-1:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C(CC3)(CCH)(O)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C(CC3)(CCH)(O)	120.2317	0.427	3	120.2317	0.182	3	121.1245	3.874	11	122.0174	10.522	24	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-4:C-3:O-1:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C(CCFF)(CCH)(O)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C(CCFF)(CCH)(O)	120.6290	0.311	2	120.6290	0.097	2	121.1245	3.874	11	122.0174	10.522	24	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-4:C-3:O-1:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C(CCHH)(CCH)(O)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C(CCHH)(CCH)(O)	121.0870	0.000	1	121.0870	0.000	1	121.1245	3.874	11	122.0174	10.522	24	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-4:C-3:O-1:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C(CH3)(CCH)(O)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C(CH3)(CCH)(O)	120.5998	0.443	4	120.5998	0.196	4	121.1245	3.874	11	122.0174	10.522	24	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C[5]-4:C-3:O-1:	C(CC[6a]O)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C(C[5]C[5]2Fe)(CCH)(O)	C(CC[6a]O)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCH)(OH)	C(C[5]C[5]2Fe)(CCH)(O)	120.7654	1.064	5	120.7654	1.132	5	120.8678	0.969	6	122.0174	10.522	24	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C[5]-4:C-3:O-1:	C(CC[6a]O)(CC[5]O)(H)	C(C[6a]C[6a]N[6a])(CCH)(OH)	C(C[5]C[5]2Fe)(CCH)(O)	C(CC[6a]O)(CC[5]O)(H)	C(C[6a]C[6a]N[6a])(CCH)(OH)	C(C[5]C[5]2Fe)(CCH)(O)	121.3800	0.000	1	121.3800	0.000	1	120.8678	0.969	6	122.0174	10.522	24	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:S-2:	C-4:C-3:O-1:	C(CC[6a]S)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(SC)	C(CH3)(CCH)(O)	C(CC[6a]S)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(SC)	C(CH3)(CCH)(O)	126.9250	0.000	1	126.9250	0.000	1	126.9250	0.000	1	122.0174	10.522	24	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CCH)(CHH)(ORu)	C(CH3)(CCH)(ORu)	C(CCO)2(H)	C(CCH)(CHH)(ORu)	C(CH3)(CCH)(ORu)	127.6215	0.517	2	127.6215	0.267	2	127.6215	0.267	2	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[5]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[5]O)(CCO)(H)	C(C[5]C[5]2)(CCH)(ORu)	C(CH3)(CCH)(OC)	C(CC[5]O)(CCO)(H)	C(C[5]C[5]2)(CCH)(ORu)	C(CH3)(CCH)(OC)	120.8880	0.000	1	120.8880	0.000	1	123.1223	5.131	3	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[5]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[5]O)(CCO)(H)	C(C[5]C[5]S[5])(CCH)(ONi)	C(CF3)(CCH)(ONi)	C(CC[5]O)(CCO)(H)	C(C[5]C[5]S[5])(CCH)(ONi)	C(CF3)(CCH)(ONi)	123.0620	0.000	1	123.0620	0.000	1	123.1223	5.131	3	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[5]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[5]O)(CCO)(H)	C(C[5]S[5]2)(CCH)(ONi)	C(CF3)(CCH)(ONi)	C(CC[5]O)(CCO)(H)	C(C[5]S[5]2)(CCH)(ONi)	C(CF3)(CCH)(ONi)	125.4170	0.000	1	125.4170	0.000	1	123.1223	5.131	3	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[5a]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[5a]O)(CCO)(H)	C(C[5a]C[5a]S[5a])(CCH)(OCu)	C(CF3)(CCH)(OCu)	C(CC[5a]O)(CCO)(H)	C(C[5a]C[5a]S[5a])(CCH)(OCu)	C(CF3)(CCH)(OCu)	122.8300	0.000	1	122.8300	0.000	1	124.0905	2.084	6	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[5a]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[5a]O)(CCO)(H)	C(C[5a]C[5a]S[5a])(CCH)(OIr)	C(CF3)(CCH)(OIr)	C(CC[5a]O)(CCO)(H)	C(C[5a]C[5a]S[5a])(CCH)(OIr)	C(CF3)(CCH)(OIr)	126.6780	0.000	1	126.6780	0.000	1	124.0905	2.084	6	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[5a]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[5a]O)(CCO)(H)	C(C[5a]C[5a]S[5a])(CCH)(ONi)	C(CF3)(CCH)(ONi)	C(CC[5a]O)(CCO)(H)	C(C[5a]C[5a]S[5a])(CCH)(ONi)	C(CF3)(CCH)(ONi)	123.1710	0.000	1	123.1710	0.000	1	124.0905	2.084	6	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[5a]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[5a]O)(CCO)(H)	C(C[5a]C[5a]S[5a])(CCH)(OPd)	C(CF3)(CCH)(OPd)	C(CC[5a]O)(CCO)(H)	C(C[5a]C[5a]S[5a])(CCH)(OPd)	C(CF3)(CCH)(OPd)	124.3430	0.574	2	124.3430	0.330	2	124.0905	2.084	6	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[5a]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[5a]O)(CCO)(H)	C(C[5a]C[5a]S[5a])(CCH)(ORu)	C(CF3)(CCH)(ORu)	C(CC[5a]O)(CCO)(H)	C(C[5a]C[5a]S[5a])(CCH)(ORu)	C(CF3)(CCH)(ORu)	123.1780	0.000	1	123.1780	0.000	1	124.0905	2.084	6	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[6]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[6]O)(CCO)(H)	C(C[6]C[6]2)(CCH)(OFe)	C(CH3)(CCH)(OFe)	C(CC[6]O)(CCO)(H)	C(C[6]C[6]2)(CCH)(OFe)	C(CH3)(CCH)(OFe)	123.3760	0.809	3	123.3760	0.654	3	124.7750	3.109	6	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[6]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[6]O)(CCO)(H)	C(C[6]C[6]2)(CCH)(OIr)	C(CH3)(CCH)(OIr)	C(CC[6]O)(CCO)(H)	C(C[6]C[6]2)(CCH)(OIr)	C(CH3)(CCH)(OIr)	127.2390	0.000	1	127.2390	0.000	1	124.7750	3.109	6	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[6]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[6]O)(CCO)(H)	C(C[6]C[6]2)(CCH)(ORu)	C(CH3)(CCH)(ORu)	C(CC[6]O)(CCO)(H)	C(C[6]C[6]2)(CCH)(ORu)	C(CH3)(CCH)(ORu)	125.6415	0.889	2	125.6415	0.790	2	124.7750	3.109	6	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:N-2:	C-4:C-3:N-2:	C(CC[6a]N)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(NSi)	C(CC3)(CCH)(NSi)	C(CC[6a]N)(CCN)(H)	C(C[6a]C[6a]2)(CCH)(NSi)	C(CC3)(CCH)(NSi)	126.5660	0.000	1	126.5660	0.000	1	126.5660	0.000	1	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:N-2:	C-4:C-3:O-2:	C(CC[6a]N)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(NN)	C(CCFF)(CCH)(OC)	C(CC[6a]N)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(NN)	C(CCFF)(CCH)(OC)	128.9350	0.000	1	128.9350	0.000	1	128.9350	0.000	1	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OCd)	C(CF3)(CCH)(OCd)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OCd)	C(CF3)(CCH)(OCd)	127.1340	0.368	2	127.1340	0.135	2	124.9213	2.427	79	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OCo)	C(CC3)(CCH)(OCo)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OCo)	C(CC3)(CCH)(OCo)	125.5370	0.322	2	125.5370	0.104	2	124.9213	2.427	79	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OCo)	C(CF3)(CCH)(OCo)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OCo)	C(CF3)(CCH)(OCo)	124.2260	0.367	5	124.2260	0.135	5	124.9213	2.427	79	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OCo)	C(CH3)(CCH)(OCo)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OCo)	C(CH3)(CCH)(OCo)	124.5595	0.342	2	124.5595	0.117	2	124.9213	2.427	79	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OCr)	C(CH3)(CCH)(OCr)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OCr)	C(CH3)(CCH)(OCr)	124.4380	0.000	1	124.4380	0.000	1	124.9213	2.427	79	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OCu)	C(CC3)(CCH)(OCu)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OCu)	C(CC3)(CCH)(OCu)	124.1895	0.393	8	124.1895	0.155	8	124.9213	2.427	79	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OCu)	C(CF3)(CCH)(OCu)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OCu)	C(CF3)(CCH)(OCu)	123.0798	0.993	4	123.0798	0.987	4	124.9213	2.427	79	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OCu)	C(CH3)(CCH)(OCu)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OCu)	C(CH3)(CCH)(OCu)	124.9781	0.542	7	124.9781	0.294	7	124.9213	2.427	79	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OFe)	C(CC3)(CCH)(OFe)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OFe)	C(CC3)(CCH)(OFe)	122.7332	0.301	6	122.7332	0.091	6	124.9213	2.427	79	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OFe)	C(CF3)(CCH)(OFe)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OFe)	C(CF3)(CCH)(OFe)	122.2940	0.453	3	122.2940	0.205	3	124.9213	2.427	79	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OIr)	C(CCHH)(CCH)(OIr)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OIr)	C(CCHH)(CCH)(OIr)	128.9510	0.000	1	128.9510	0.000	1	124.9213	2.427	79	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OMn)	C(CF3)(CCH)(OMn)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OMn)	C(CF3)(CCH)(OMn)	123.8420	0.402	2	123.8420	0.161	2	124.9213	2.427	79	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OMn)	C(CFFH)(CCH)(OMn)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OMn)	C(CFFH)(CCH)(OMn)	124.8130	0.000	1	124.8130	0.000	1	124.9213	2.427	79	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OMn)	C(CH3)(CCH)(OMn)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OMn)	C(CH3)(CCH)(OMn)	126.6026	0.771	10	126.6026	0.595	10	124.9213	2.427	79	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	C(CC3)(CCH)(ONi)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	C(CC3)(CCH)(ONi)	124.9562	1.413	5	124.9562	1.998	5	124.9213	2.427	79	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	C(CF3)(CCH)(ONi)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	C(CF3)(CCH)(ONi)	123.6120	0.000	1	123.6120	0.000	1	124.9213	2.427	79	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	C(CH3)(CCH)(ONi)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(ONi)	C(CH3)(CCH)(ONi)	126.0195	1.456	2	126.0195	2.120	2	124.9213	2.427	79	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OPd)	C(CH3)(CCH)(OPd)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OPd)	C(CH3)(CCH)(OPd)	126.8907	0.922	4	126.8907	0.850	4	124.9213	2.427	79	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OPt)	C(CF3)(CCH)(OPt)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OPt)	C(CF3)(CCH)(OPt)	125.8460	0.000	1	125.8460	0.000	1	124.9213	2.427	79	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OPt)	C(CH3)(CCH)(OPt)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OPt)	C(CH3)(CCH)(OPt)	126.5710	0.000	1	126.5710	0.000	1	124.9213	2.427	79	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(ORh)	C(CCHH)(CCH)(ORh)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(ORh)	C(CCHH)(CCH)(ORh)	126.3680	0.000	1	126.3680	0.000	1	124.9213	2.427	79	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	C(CF3)(CCH)(ORu)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(ORu)	C(CF3)(CCH)(ORu)	123.9163	0.617	4	123.9163	0.381	4	124.9213	2.427	79	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OZn)	C(CC3)(CCH)(OZn)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OZn)	C(CC3)(CCH)(OZn)	126.0415	0.315	2	126.0415	0.099	2	124.9213	2.427	79	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	C-4:C-3:O-2:	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OZn)	C(CH3)(CCH)(OZn)	C(CC[6a]O)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(OZn)	C(CH3)(CCH)(OZn)	125.6967	0.389	4	125.6967	0.152	4	124.9213	2.427	79	124.9192	2.816	98	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-4:C-3:C-3:	C(CCC)(CCO)(H)	C(CCH)(CCO)(OH)	C(CCCH)(CCH)2	C(CCC)(CCO)(H)	C(CCH)(CCO)(OH)	C(CCCH)(CCH)2	131.8807	0.497	3	131.8807	0.247	3	131.6333	0.410	4	128.6242	10.581	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:3:	C-3:C-3:H-1:	C-3:C-3:O-2:	C-4:C-3:C-3:	C(CCC)(CCO)(H)	C(CCH)(CCO)(OS)	C(CCCH)(CCH)2	C(CCC)(CCO)(H)	C(CCH)(CCO)(OS)	C(CCCH)(CCH)2	130.8910	0.000	1	130.8910	0.000	1	131.6333	0.410	4	128.6242	10.581	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	P-4:C-3:C-3:	C(CC[6a]O)(CCP)(H)	C(C[6a]C[6a]2)(CCH)(OB)	C(PC3)(CCH)(CHH)	C(CC[6a]O)(CCP)(H)	C(C[6a]C[6a]2)(CCH)(OB)	C(PC3)(CCH)(CHH)	125.7945	0.441	2	125.7945	0.194	2	125.6087	0.201	3	128.6242	10.581	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:3:	C-3:C-3:H-1:	C[6a]-3:C-3:O-2:	P-4:C-3:C-3:	C(CC[6a]O)(CCP)(H)	C(C[6a]C[6a]2)(CCH)(OB)	C(PC[6a]3)(CCH)(CHH)	C(CC[6a]O)(CCP)(H)	C(C[6a]C[6a]2)(CCH)(OB)	C(PC[6a]3)(CCH)(CHH)	125.2370	0.000	1	125.2370	0.000	1	125.6087	0.201	3	128.6242	10.581	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:2:	4:3:3:	C-3:C-3:H-1:	N[6]-3:C-3:N-2:	C-4:C-3:N-3:	C(CN[6]N)(CCN)(H)	C(N[6]C[6]2)(CCH)(NH)	C(CC3)(CCH)(NHH)	C(CN[6]N)(CCN)(H)	C(N[6]C[6]2)(CCH)(NH)	C(CC3)(CCH)(NHH)	125.6350	0.000	1	125.6350	0.000	1	125.6350	0.000	1	128.6242	10.581	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	2:3:1:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N-2:C-3:H-1:	C(CC[6a]2)(CHN)(H)	C(C[6a]C[6a]2)2(CCH)	C(NC[6a])(CCH)(H)	C(CC[6a]2)(CHN)(H)	C(C[6a]C[6a]2)2(CCH)	C(NC[6a])(CCH)(H)	126.4108	1.233	5	126.4108	1.519	5	126.4108	1.519	5	125.8400	3.170	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	2:3:1:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	O-2:C-3:O-1:	C(CC[6a]N)(COO)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C(OC[6a])(CCH)(O)	C(CC[6a]N)(COO)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C(OC[6a])(CCH)(O)	122.9860	0.000	1	122.9860	0.000	1	122.9860	0.000	1	125.8400	3.170	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	2:3:3:	C-3:C-3:H-1:	N-3:C-3:N-3:	N-2:C-3:N-3:	C(CNN)2(H)	C(NC[6]H)(CCH)(NHH)	C(NC[6])(CCH)(NHH)	C(CNN)2(H)	C(NC[6]H)(CCH)(NHH)	C(NC[6])(CCH)(NHH)	130.0500	0.000	1	130.0500	0.000	1	130.0500	0.000	1	130.0500	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	2:4:3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	N-2:C-4:C-3:	C(CC[6a]N)(CCN)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C(NC[6a])(CH3)(CCH)	C(CC[6a]N)(CCN)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C(NC[6a])(CH3)(CCH)	126.1690	0.000	1	126.1690	0.000	1	126.1690	0.000	1	126.1690	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:1:1:	C-3:C-3:Br-1:	C[6a]-3:C-3:N-3:	C-3:H-1:O-1:	C(CC[6a]N)(CHO)(Br)	C(C[6a]C[6a]2)(CBrC)(NCH)	C(CBrC)(H)(O)	C(CC[6a]N)(CHO)(Br)	C(C[6a]C[6a]2)(CBrC)(NCH)	C(CBrC)(H)(O)	124.1350	0.228	2	124.1350	0.052	2	124.1350	0.052	2	124.1609	4.515	27	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:1:1:	C-3:C-3:Cl-1:	C-3:C-3:C-3:	C-3:H-1:H-1:	C(CCC)(CHH)(Cl)	C(CClC)(CCH)(COO)	C(CClC)(H)2	C(CCC)(CHH)(Cl)	C(CClC)(CCH)(COO)	C(CClC)(H)2	125.6820	0.000	1	125.6820	0.000	1	125.6820	0.000	1	124.1609	4.515	27	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:1:1:	C-3:C-3:Cl-1:	C-3:C-3:N-3:	C-3:Cl-1:Cl-1:	C(CCl2)(CCN)(Cl)	C(CClC)(CClS)(NOO)	C(CClC)(Cl)2	C(CCl2)(CCN)(Cl)	C(CClC)(CClS)(NOO)	C(CClC)(Cl)2	122.7930	0.000	1	122.7930	0.000	1	123.8532	0.754	6	124.1609	4.515	27	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:1:1:	C-3:C-3:Cl-1:	C-3:C-3:N-3:	C-3:Cl-1:Cl-1:	C(CCl2)(CCN)(Cl)	C(CClC)(CSS)(NOO)	C(CClC)(Cl)2	C(CCl2)(CCN)(Cl)	C(CClC)(CSS)(NOO)	C(CClC)(Cl)2	123.7630	0.000	1	123.7630	0.000	1	123.8532	0.754	6	124.1609	4.515	27	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:1:1:	C-3:C-3:Cl-1:	C-3:C-3:N-3:	C-3:Cl-1:Cl-1:	C(CCl2)(CCN)(Cl)	C(CN[6]S)(CClC)(NOO)	C(CClC)(Cl)2	C(CCl2)(CCN)(Cl)	C(CN[6]S)(CClC)(NOO)	C(CClC)(Cl)2	124.1407	0.877	4	124.1407	0.769	4	123.8532	0.754	6	124.1609	4.515	27	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:1:1:	C-3:C-3:H-1:	C[5a]-3:C-3:C-3:	C-3:H-1:H-1:	C(CC[5a]C)(CHH)(H)	C(C[5a]C[5a]N[5a])(CC[6a]H)(CCH)	C(CCH)(H)2	C(CC[5a]C)(CHH)(H)	C(C[5a]C[5a]N[5a])(CC[6a]H)(CCH)	C(CCH)(H)2	125.0300	0.000	1	125.0300	0.000	1	125.0300	0.000	1	124.1609	4.515	27	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:1:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:H-1:H-1:	C(CC[6a]C)(CHH)(H)	C(C[6a]C[6a]2)(CCH)(CCO)	C(CCH)(H)2	C(CC[6a]C)(CHH)(H)	C(C[6a]C[6a]2)(CCH)(CCO)	C(CCH)(H)2	126.1150	0.000	1	126.1150	0.000	1	126.2707	0.102	3	124.1609	4.515	27	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:1:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:H-1:H-1:	C(CC[6a]C)(CHH)(H)	C(C[6a]C[6a]2)(CCH)2	C(CCH)(H)2	C(CC[6a]C)(CHH)(H)	C(C[6a]C[6a]2)(CCH)2	C(CCH)(H)2	126.0590	0.000	1	126.0590	0.000	1	126.2707	0.102	3	124.1609	4.515	27	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:1:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:H-1:H-1:	C(CC[6a]C)(CHH)(H)	C(C[6a]C[6a]2)(CP[6]H)(CCH)	C(CCH)(H)2	C(CC[6a]C)(CHH)(H)	C(C[6a]C[6a]2)(CP[6]H)(CCH)	C(CCH)(H)2	126.6380	0.000	1	126.6380	0.000	1	126.2707	0.102	3	124.1609	4.515	27	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:1:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:H-1:O-1:	C(CC[6a]C)(CHO)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CCH)(H)(O)	C(CC[6a]C)(CHO)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CCH)(H)(O)	125.1680	0.908	2	125.1680	0.824	2	125.1680	0.824	2	124.1609	4.515	27	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:1:1:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:H-1:O-1:	C(CC[6a]N)(CHO)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	C(CCH)(H)(O)	C(CC[6a]N)(CHO)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	C(CCH)(H)(O)	123.6560	0.000	1	123.6560	0.000	1	123.6560	0.000	1	124.1609	4.515	27	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:1:1:	C-3:C-3:H-1:	N[5]-3:C-3:C-3:	C-3:H-1:H-1:	C(CN[5]C)(CHH)(H)	C(N[5]C[5]2)(CC[6a]H)(CCH)	C(CCH)(H)2	C(CN[5]C)(CHH)(H)	C(N[5]C[5]2)(CC[6a]H)(CCH)	C(CCH)(H)2	125.1540	0.000	1	125.1540	0.000	1	125.1540	0.000	1	124.1609	4.515	27	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:1:1:	C-3:C-3:H-1:	N[5a]-3:C[6a]-3:C-3:	C-3:H-1:O-1:	C(CC[6a]N[5a])(CHO)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	C(CCH)(H)(O)	C(CC[6a]N[5a])(CHO)(H)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	C(CCH)(H)(O)	123.2887	0.941	7	123.2887	0.885	7	123.2887	0.885	7	124.1609	4.515	27	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:1:1:	C-3:C-3:H-1:	N[6]-3:C-3:C-3:	C-3:O-1:O-1:	C(CN[6]C)(COO)(H)	C(N[6]C[6]2)(CCH)(COO)	C(CCH)(O)2	C(CN[6]C)(COO)(H)	C(N[6]C[6]2)(CCH)(COO)	C(CCH)(O)2	126.6945	0.408	2	126.6945	0.166	2	126.6945	0.166	2	124.1609	4.515	27	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:1:1:	C-3:C-3:O-1:	C-3:C-3:C-3:	C-3:H-1:H-1:	C(CCC)(CHH)(O)	C(CC[5]H)(CCO)(COO)	C(CCO)(H)2	C(CCC)(CHH)(O)	C(CC[5]H)(CCO)(COO)	C(CCO)(H)2	115.8760	0.000	1	115.8760	0.000	1	115.8760	0.000	1	124.1609	4.515	27	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:Br-1:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CCC)(COO)(Br)	C(CBrC)(CCC)(COO)	C(CBrC)(OC)(O)	C(CCC)(COO)(Br)	C(CBrC)(CCC)(COO)	C(CBrC)(OC)(O)	125.1330	1.922	2	125.1330	3.694	2	125.1330	3.694	2	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:Br-1:	C[6a]-3:N[4]-3:C-3:	C-3:O-2:O-1:	C(CC[6a]N[4])(COO)(Br)	C(C[6a]C[6a]2)(N[4]C[4]2)(CBrC)	C(CBrC)(OC)(O)	C(CC[6a]N[4])(COO)(Br)	C(C[6a]C[6a]2)(N[4]C[4]2)(CBrC)	C(CBrC)(OC)(O)	127.4348	0.479	4	127.4348	0.230	4	127.4348	0.230	4	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:Br-1:	N[4]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(CC[6a]N[4])(COO)(Br)	C(N[4]C[4,6]C[4])(C[6a]C[6a]2)(CBrC)	C(CBrC)(OC)(O)	C(CC[6a]N[4])(COO)(Br)	C(N[4]C[4,6]C[4])(C[6a]C[6a]2)(CBrC)	C(CBrC)(OC)(O)	127.3850	0.000	1	127.3850	0.000	1	127.3850	0.000	1	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:F-1:	C[6a]-3:C-3:C-3:	C-3:O-2:O-1:	C(CC[6a]C)(COO)(F)	C(C[6a]C[6a]2)(CC[5a]O)(CCF)	C(CCF)(OC)(O)	C(CC[6a]C)(COO)(F)	C(C[6a]C[6a]2)(CC[5a]O)(CCF)	C(CCF)(OC)(O)	125.7850	0.000	1	125.7850	0.000	1	125.7850	0.000	1	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CCC)(COO)(H)	C(CCC)(CCH)(COO)	C(CCH)(OC)(O)	C(CCC)(COO)(H)	C(CCC)(CCH)(COO)	C(CCH)(OC)(O)	124.5040	2.530	4	124.5040	6.402	4	124.7430	3.982	6	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CCC)(COO)(H)	C(CC[6]N)(CCH)(COO)	C(CCH)(OC)(O)	C(CCC)(COO)(H)	C(CC[6]N)(CCH)(COO)	C(CCH)(OC)(O)	125.1240	0.000	1	125.1240	0.000	1	124.7430	3.982	6	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CCC)(COO)(H)	C(CC[6a]C)(CCH)(COO)	C(CCH)(OC)(O)	C(CCC)(COO)(H)	C(CC[6a]C)(CCH)(COO)	C(CCH)(OC)(O)	125.3180	0.000	1	125.3180	0.000	1	124.7430	3.982	6	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:C-2:H-1:	C(CCH)(CCN)(H)	C(CCH)(CHO)(NOO)	C(CCH)(CN)(H)	C(CCH)(CCN)(H)	C(CCH)(CHO)(NOO)	C(CCH)(CN)(H)	126.3300	0.000	1	126.3300	0.000	1	126.3300	0.000	1	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:O-2:O-1:	C(CCN)(COO)(H)	C(CCH)(CCO)(NCS)	C(CCH)(OC)(O)	C(CCN)(COO)(H)	C(CCH)(CCO)(NCS)	C(CCH)(OC)(O)	124.5210	0.000	1	124.5210	0.000	1	124.3430	1.095	3	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:O-2:O-1:	C(CCN)(COO)(H)	C(CCH)(COO)(NCN)	C(CCH)(OC)(O)	C(CCN)(COO)(H)	C(CCH)(COO)(NCN)	C(CCH)(OC)(O)	124.2540	1.464	2	124.2540	2.142	2	124.3430	1.095	3	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:H-1:	C[5]-3:C-3:C-3:	C-3:O-2:O-1:	C(CC[5]C)(COO)(H)	C(C[5]C[5]2)(CCH)(COO)	C(CCH)(OC)(O)	C(CC[5]C)(COO)(H)	C(C[5]C[5]2)(CCH)(COO)	C(CCH)(OC)(O)	124.4970	0.588	2	124.4970	0.346	2	124.4970	0.346	2	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:H-1:	C[5a]-3:C-3:C-3:	C-3:O-2:O-1:	C(CC[5a]C)(COO)(H)	C(C[5a]C[5a,5a]N[5a])(CCH)(COO)	C(CCH)(OC)(O)	C(CC[5a]C)(COO)(H)	C(C[5a]C[5a,5a]N[5a])(CCH)(COO)	C(CCH)(OC)(O)	127.7280	0.000	1	127.7280	0.000	1	125.6333	3.781	4	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:H-1:	C[5a]-3:C-3:C-3:	C-3:O-2:O-1:	C(CC[5a]C)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(CNO)	C(CCH)(OC)(O)	C(CC[5a]C)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(CNO)	C(CCH)(OC)(O)	126.8350	0.000	1	126.8350	0.000	1	125.6333	3.781	4	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:H-1:	C[5a]-3:C-3:C-3:	C-3:O-2:O-1:	C(CC[5a]C)(COO)(H)	C(C[5a]C[5a,6a]S[5a])(CCH)(COO)	C(CCH)(OC)(O)	C(CC[5a]C)(COO)(H)	C(C[5a]C[5a,6a]S[5a])(CCH)(COO)	C(CCH)(OC)(O)	123.7870	0.000	1	123.7870	0.000	1	125.6333	3.781	4	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:H-1:	C[5a]-3:C-3:C-3:	C-3:O-2:O-1:	C(CC[5a]C)(COO)(H)	C(C[5a]C[5a]S[5a])(CCH)(COO)	C(CCH)(OC)(O)	C(CC[5a]C)(COO)(H)	C(C[5a]C[5a]S[5a])(CCH)(COO)	C(CCH)(OC)(O)	124.1830	0.000	1	124.1830	0.000	1	125.6333	3.781	4	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(CC[5a]C[6a])(COO)(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCH)	C(CCH)(OC)(O)	C(CC[5a]C[6a])(COO)(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCH)	C(CCH)(OC)(O)	125.5560	0.000	1	125.5560	0.000	1	125.7660	0.088	2	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(CC[5a]C[6a])(COO)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	C(CCH)(OC)(O)	C(CC[5a]C[6a])(COO)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	C(CCH)(OC)(O)	125.9760	0.000	1	125.9760	0.000	1	125.7660	0.088	2	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:B[5]-3:C-3:	C-3:O-2:O-1:	C(CC[6a]B[5])(COO)(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCH)	C(CCH)(OC)(O)	C(CC[6a]B[5])(COO)(H)	C(C[6a]C[6a]2)(B[5]O[5]2)(CCH)	C(CCH)(OC)(O)	119.8480	0.000	1	119.8480	0.000	1	119.8480	0.000	1	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:O-2:O-1:	C(CC[6a]C)(COO)(H)	C(C[6a]C[6a]2)(CCH)(COO)	C(CCH)(OC)(O)	C(CC[6a]C)(COO)(H)	C(C[6a]C[6a]2)(CCH)(COO)	C(CCH)(OC)(O)	124.8810	0.000	1	124.8810	0.000	1	125.8630	1.929	2	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:O-2:O-1:	C(CC[6a]C)(COO)(H)	C(C[6a]C[6a]2)(CC[6]C)(CCH)	C(CCH)(OC)(O)	C(CC[6a]C)(COO)(H)	C(C[6a]C[6a]2)(CC[6]C)(CCH)	C(CCH)(OC)(O)	126.8450	0.000	1	126.8450	0.000	1	125.8630	1.929	2	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:S-2:H-1:	C(CC[6a]C)(CHS)(H)	C(C[6a]C[6a,6a]C[6a])(CPtH)(CCH)	C(CCH)(SPt)(H)	C(CC[6a]C)(CHS)(H)	C(C[6a]C[6a,6a]C[6a])(CPtH)(CCH)	C(CCH)(SPt)(H)	128.4695	0.084	2	128.4695	0.007	2	128.4695	0.007	2	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:O-2:O-1:	C(CC[6a]N)(COO)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C(CCH)(OC)(O)	C(CC[6a]N)(COO)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C(CCH)(OC)(O)	124.4173	0.381	3	124.4173	0.145	3	124.4173	0.145	3	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(CC[6a]2)(CHN)(H)	C(C[6a]C[6a]2)2(CCH)	C(CCH)(NN)(H)	C(CC[6a]2)(CHN)(H)	C(C[6a]C[6a]2)2(CCH)	C(CCH)(NN)(H)	125.4180	0.000	1	125.4180	0.000	1	125.4180	0.000	1	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(CC[6a]2)(COO)(H)	C(C[6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(CCH)	C(CCH)(OC)(O)	C(CC[6a]2)(COO)(H)	C(C[6a]C[5a,6a]C[6a,6a])(C[6a]C[6a]2)(CCH)	C(CCH)(OC)(O)	125.0400	0.000	1	125.0400	0.000	1	125.6188	0.716	6	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(CC[6a]2)(COO)(H)	C(C[6a]C[6a]2)2(CCH)	C(CCH)(OC)(O)	C(CC[6a]2)(COO)(H)	C(C[6a]C[6a]2)2(CCH)	C(CCH)(OC)(O)	125.7346	0.891	5	125.7346	0.795	5	125.6188	0.716	6	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:O-2:O-1:	C(CC[6a]N)(COO)(H)	C(C[6a]C[6a]2)(NC[5a]H)(CCH)	C(CCH)(OC)(O)	C(CC[6a]N)(COO)(H)	C(C[6a]C[6a]2)(NC[5a]H)(CCH)	C(CCH)(OC)(O)	124.9990	0.000	1	124.9990	0.000	1	124.9990	0.000	1	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:N[5]-3:C-3:	C-3:O-2:O-1:	C(CC[6a]N[5])(COO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCH)	C(CCH)(OC)(O)	C(CC[6a]N[5])(COO)(H)	C(C[6a]C[6a]2)(N[5]C[5]2)(CCH)	C(CCH)(OC)(O)	125.4893	0.180	3	125.4893	0.032	3	125.4893	0.032	3	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:N[6a]-3:C-3:	C-3:O-2:O-1:	C(CC[6a]N[6a])(COO)(H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCH)	C(CCH)(OC)(O)	C(CC[6a]N[6a])(COO)(H)	C(C[6a]C[6a]2)(N[6a]C[6a]2)(CCH)	C(CCH)(OC)(O)	125.2480	0.000	1	125.2480	0.000	1	125.2480	0.000	1	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:H-1:	Ge[6]-3:C-3:C-3:	C-3:O-2:O-1:	C(CGe[6]C)(COO)(H)	C(Ge[6]N[6]2)(CCH)(COO)	C(CCH)(OC)(O)	C(CGe[6]C)(COO)(H)	C(Ge[6]N[6]2)(CCH)(COO)	C(CCH)(OC)(O)	124.8033	0.332	3	124.8033	0.110	3	124.8033	0.110	3	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:O-2:O-1:	C(CCN)(COO)(H)	C(NC[6a]C)(CCH)(COO)	C(CCH)(OC)(O)	C(CCN)(COO)(H)	C(NC[6a]C)(CCH)(COO)	C(CCH)(OC)(O)	123.5490	0.000	1	123.5490	0.000	1	123.0255	0.548	2	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:O-2:O-1:	C(CCN)(COO)(H)	C(NC[6a]H)(CCH)(COO)	C(CCH)(OC)(O)	C(CCN)(COO)(H)	C(NC[6a]H)(CCH)(COO)	C(CCH)(OC)(O)	122.5020	0.000	1	122.5020	0.000	1	123.0255	0.548	2	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:H-1:	N[5]-3:C-3:C-3:	C-3:O-2:O-1:	C(CN[5]C)(COO)(H)	C(N[5]C[5]2)(CCH)(COO)	C(CCH)(OC)(O)	C(CN[5]C)(COO)(H)	C(N[5]C[5]2)(CCH)(COO)	C(CCH)(OC)(O)	122.6383	0.565	6	122.6383	0.319	6	122.6383	0.319	6	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:H-1:	N[5a]-3:C-3:C-3:	C-3:O-2:O-1:	C(CN[5a]C)(COO)(H)	C(N[5a]C[5a]2)(CCH)(COO)	C(CCH)(OC)(O)	C(CN[5a]C)(COO)(H)	C(N[5a]C[5a]2)(CCH)(COO)	C(CCH)(OC)(O)	120.6860	0.000	1	120.6860	0.000	1	120.6860	0.000	1	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:H-1:	N[6,6]-3:C-3:C-3:	C-3:O-2:O-1:	C(CN[6,6]C)(COO)(H)	C(N[6,6]C[6,6]2)(CCH)(COO)	C(CCH)(OC)(O)	C(CN[6,6]C)(COO)(H)	C(N[6,6]C[6,6]2)(CCH)(COO)	C(CCH)(OC)(O)	121.4680	0.000	1	121.4680	0.000	1	121.4680	0.000	1	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:H-1:	N[6]-3:C-3:C-3:	C-3:O-2:O-1:	C(CN[6]C)(COO)(H)	C(N[6]C[6,6a]C[6])(CCH)(COO)	C(CCH)(OC)(O)	C(CN[6]C)(COO)(H)	C(N[6]C[6,6a]C[6])(CCH)(COO)	C(CCH)(OC)(O)	121.8800	0.000	1	121.8800	0.000	1	126.7373	6.044	17	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:H-1:	N[6]-3:C-3:C-3:	C-3:O-2:O-1:	C(CN[6]C)(COO)(H)	C(N[6]C[6]2)(CCH)(COO)	C(CCH)(OC)(O)	C(CN[6]C)(COO)(H)	C(N[6]C[6]2)(CCH)(COO)	C(CCH)(OC)(O)	124.9890	2.710	4	124.9890	7.344	4	126.7373	6.044	17	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:H-1:	N[6]-3:C-3:C-3:	C-3:O-2:O-1:	C(CN[6]C)(COO)(H)	C(N[6]C[6]2)(CCH)(COO)	C(CCH)(OH)(O)	C(CN[6]C)(COO)(H)	C(N[6]C[6]2)(CCH)(COO)	C(CCH)(OH)(O)	127.7248	1.571	12	127.7248	2.468	12	126.7373	6.044	17	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:O-1:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CCC)(COO)(O)	C(CC[6a]O)(CCO)(CHN)	C(CCO)(OC)(O)	C(CCC)(COO)(O)	C(CC[6a]O)(CCO)(CHN)	C(CCO)(OC)(O)	119.4740	1.165	8	119.4740	1.357	8	119.4740	1.357	8	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:O-1:	C-3:C-3:N-3:	C-3:O-2:O-1:	C(CCN)(COO)(O)	C(CC[6a]H)(CCO)(NCH)	C(CCO)(OC)(O)	C(CCN)(COO)(O)	C(CC[6a]H)(CCO)(NCH)	C(CCO)(OC)(O)	117.2385	1.078	2	117.2385	1.163	2	117.2385	1.163	2	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:O-1:	C[5]-3:C-3:C-3:	C-3:O-2:O-1:	C(CC[5]C)(COO)(O)	C(C[5]C[5,6a]C[5])(CCO)(COO)	C(CCO)(OC)(O)	C(CC[5]C)(COO)(O)	C(C[5]C[5,6a]C[5])(CCO)(COO)	C(CCO)(OC)(O)	115.7995	0.224	2	115.7995	0.050	2	115.7995	0.050	2	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:O-1:	N[6]-3:C-3:C-3:	C-3:O-2:O-1:	C(CN[6]C)(COO)(O)	C(N[6]C[6]2)(CCO)(COO)	C(CCO)(OC)(O)	C(CN[6]C)(COO)(O)	C(N[6]C[6]2)(CCO)(COO)	C(CCO)(OC)(O)	118.5077	0.282	3	118.5077	0.080	3	118.5077	0.080	3	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:1:	C-3:C-3:S-1:	C[5]-3:C-3:C-3:	C-3:O-2:O-1:	C(CC[5]C)(COO)(S)	C(C[5]N[5]2)(CCS)(COO)	C(CCS)(OC)(O)	C(CC[5]C)(COO)(S)	C(C[5]N[5]2)(CCS)(COO)	C(CCS)(OC)(O)	118.2810	0.000	1	118.2810	0.000	1	118.2810	0.000	1	124.1338	11.073	92	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:2:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:C-2:C-2:	C(CCC)2(H)	C(CC[6a]O)(CCH)(CSS)	C(CCH)(CN)2	C(CCC)2(H)	C(CC[6a]O)(CCH)(CSS)	C(CCH)(CN)2	128.0785	0.978	2	128.0785	0.956	2	128.0785	0.956	2	127.4477	3.139	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:2:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:C-2:C-2:	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CCH)(CN)2	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CCH)(CN)2	126.0090	0.000	1	126.0090	0.000	1	126.0090	0.000	1	127.4477	3.139	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:2:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:S-2:S-2:	C(CC[6a]C)(CSS)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CCH)(SC)2	C(CC[6a]C)(CSS)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CCH)(SC)2	129.2275	0.302	2	129.2275	0.091	2	129.2275	0.091	2	127.4477	3.139	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:2:	C-3:C-3:H-1:	C[6a]-3:C[5]-3:C-3:	C-3:C-2:C-2:	C(CC[6a]C[5])(CCC)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCH)	C(CCH)(CN)2	C(CC[6a]C[5])(CCC)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCH)	C(CCH)(CN)2	126.9530	0.000	1	126.9530	0.000	1	126.9530	0.000	1	127.4477	3.139	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:2:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:C-2:	C(CC[6a]2)(CCC)(H)	C(C[6a]C[6a]2)2(CCH)	C(CCH)(CN)2	C(CC[6a]2)(CCC)(H)	C(C[6a]C[6a]2)2(CCH)	C(CCH)(CN)2	124.5600	0.000	1	124.5600	0.000	1	124.5600	0.000	1	127.4477	3.139	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:2:3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C[6a]-3:N-2:C-3:	C(CC[6a]C)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(NC[6a])(CCH)	C(CC[6a]C)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(NC[6a])(CCH)	130.4350	0.000	1	130.4350	0.000	1	130.4350	0.000	1	130.4350	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:F-1:	C[6a]-3:C-3:C-3:	N-3:C-3:O-1:	C(CC[6a]C)(CNO)(F)	C(C[6a]C[6a]2)(CC[6a]O)(CCF)	C(NC[6a]2)(CCF)(O)	C(CC[6a]C)(CNO)(F)	C(C[6a]C[6a]2)(CC[6a]O)(CCF)	C(NC[6a]2)(CCF)(O)	124.3570	0.000	1	124.3570	0.000	1	124.3570	0.000	1	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CAsC)(CCH)(CCO)	C(CCH)2(H)	C(CCC)(CCH)(H)	C(CAsC)(CCH)(CCO)	C(CCH)2(H)	132.3650	0.000	1	132.3650	0.000	1	125.9940	11.982	35	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CCC)(CCH)2	C(CCH)2(H)	C(CCC)(CCH)(H)	C(CCC)(CCH)2	C(CCH)2(H)	128.7590	0.375	2	128.7590	0.140	2	125.9940	11.982	35	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CCH)(CCO)(CCP)	C(CCH)2(H)	C(CCC)(CCH)(H)	C(CCH)(CCO)(CCP)	C(CCH)2(H)	130.9740	0.000	1	130.9740	0.000	1	125.9940	11.982	35	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CCH)2(CCO)	C(CCH)2(H)	C(CCC)(CCH)(H)	C(CCH)2(CCO)	C(CCH)2(H)	123.9948	1.503	24	123.9948	2.260	24	125.9940	11.982	35	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CC[6a]H)(CCH)(CHO)	C(CCH)(CHO)(H)	C(CCC)(CCH)(H)	C(CC[6a]H)(CCH)(CHO)	C(CCH)(CHO)(H)	125.5550	0.000	1	125.5550	0.000	1	125.9940	11.982	35	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CC[6a]O)(CCH)(CCO)	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	C(CC[6a]O)(CCH)(CCO)	C(CCC)(CCH)(H)	130.8720	0.000	1	130.8720	0.000	1	125.9940	11.982	35	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CC[6a]O)(CCH)(CCO)	C(CCH)(CCO)(H)	C(CCC)(CCH)(H)	C(CC[6a]O)(CCH)(CCO)	C(CCH)(CCO)(H)	132.1603	0.923	3	132.1603	0.852	3	125.9940	11.982	35	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CC[6a]O)(CCH)(CCO)	C(CC[6a]C)(CCH)(H)	C(CCC)(CCH)(H)	C(CC[6a]O)(CCH)(CCO)	C(CC[6a]C)(CCH)(H)	131.7460	0.000	1	131.7460	0.000	1	125.9940	11.982	35	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CRuC)(CCH)(COO)	C(CRuC)(CCH)(H)	C(CCC)(CCH)(H)	C(CRuC)(CCH)(COO)	C(CRuC)(CCH)(H)	128.4020	0.000	1	128.4020	0.000	1	125.9940	11.982	35	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(CCH)(CCN)(NCH)	C(CCH)2(H)	C(CCH)(CCN)(H)	C(CCH)(CCN)(NCH)	C(CCH)2(H)	131.6030	0.403	3	131.6030	0.163	3	129.3197	6.491	24	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(CCH)(CCO)(NCH)	C(CCH)2(H)	C(CCH)(CCN)(H)	C(CCH)(CCO)(NCH)	C(CCH)2(H)	130.7028	0.380	10	130.7028	0.144	10	129.3197	6.491	24	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(CCH)(CCO)(NCN)	C(CCH)2(H)	C(CCH)(CCN)(H)	C(CCH)(CCO)(NCN)	C(CCH)2(H)	131.5025	0.657	2	131.5025	0.432	2	129.3197	6.491	24	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(CCH)(CCO)(NHH)	C(CCC)(CCH)(H)	C(CCH)(CCN)(H)	C(CCH)(CCO)(NHH)	C(CCC)(CCH)(H)	130.8570	0.000	1	130.8570	0.000	1	129.3197	6.491	24	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(CCH)(CCO)(NOO)	C(CCH)2(H)	C(CCH)(CCN)(H)	C(CCH)(CCO)(NOO)	C(CCH)2(H)	128.8580	0.000	1	128.8580	0.000	1	129.3197	6.491	24	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(CCH)(COO)(NCH)	C(CCH)(CCO)(H)	C(CCH)(CCN)(H)	C(CCH)(COO)(NCH)	C(CCH)(CCO)(H)	126.3070	0.000	1	126.3070	0.000	1	129.3197	6.491	24	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(CCH)(COO)(NCH)	C(CCH)2(H)	C(CCH)(CCN)(H)	C(CCH)(COO)(NCH)	C(CCH)2(H)	124.7300	0.000	1	124.7300	0.000	1	129.3197	6.491	24	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(CCH)2(NCC)	C(CCH)2(H)	C(CCH)(CCN)(H)	C(CCH)2(NCC)	C(CCH)2(H)	126.5120	0.000	1	126.5120	0.000	1	129.3197	6.491	24	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(CIrH)(CCH)(NOO)	C(CIrC)(CCH)(H)	C(CCH)(CCN)(H)	C(CIrH)(CCH)(NOO)	C(CIrC)(CCH)(H)	125.3918	0.456	4	125.3918	0.208	4	129.3197	6.491	24	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C-3:N-3:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]O)(CCN)(H)	C(CC[6a]O)(NC[6a]H)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]O)(CCN)(H)	C(CC[6a]O)(NC[6a]H)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	123.6170	0.055	2	123.6170	0.003	2	123.6170	0.003	2	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-3:C-3:	C-3:C-3:H-1:	C(CC[5]C)(CCH)(H)	C(C[5]C[5,6a]2)(CCH)2	C(CCH)2(H)	C(CC[5]C)(CCH)(H)	C(C[5]C[5,6a]2)(CCH)2	C(CCH)2(H)	128.5750	0.119	2	128.5750	0.014	2	128.5750	0.014	2	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(CC[6a]C[5])(CCH)(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCH)	C(CCH)(COO)(H)	C(CC[6a]C[5])(CCH)(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCH)	C(CCH)(COO)(H)	123.9690	0.000	1	123.9690	0.000	1	123.9690	0.000	1	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]C[5])(CC[6a]H)(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCH)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]C[5])(CC[6a]H)(H)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCH)	C(C[6a]C[6a]2)(CCH)(H)	124.8835	0.692	4	124.8835	0.479	4	125.1392	0.686	5	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]C[5])(CC[6a]H)(H)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(CCH)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]C[5])(CC[6a]H)(H)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(CCH)	C(C[6a]C[6a]2)(CCH)(H)	126.1620	0.000	1	126.1620	0.000	1	125.1392	0.686	5	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[5]-3:N-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CC[5]N)(H)	C(C[5]N[5,6]N[5])(NC[6a]C)(CCH)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[5]N)(H)	C(C[5]N[5,6]N[5])(NC[6a]C)(CCH)	C(C[6a]C[6a]2)(CCH)(H)	124.4700	0.000	1	124.4700	0.000	1	124.4700	0.000	1	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:C-3:	C[5]-3:C-3:H-1:	C(CC[5a]C)(CC[5]H)(H)	C(C[5a]C[5a]S[5a])(CC[6a]H)(CCH)	C(C[5]C[5]2)(CCH)(H)	C(CC[5a]C)(CC[5]H)(H)	C(C[5a]C[5a]S[5a])(CC[6a]H)(CCH)	C(C[5]C[5]2)(CCH)(H)	126.4230	0.000	1	126.4230	0.000	1	126.4230	0.000	1	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-3:C-3:	C[5a]-3:C-3:H-1:	C(CC[5a]C)(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(CCH)(CHN)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[5a]C)(CC[5a]H)(H)	C(C[5a]C[5a]N[5a])(CCH)(CHN)	C(C[5a]C[5a]N[5a])(CCH)(H)	126.7710	1.228	2	126.7710	1.507	2	126.7710	1.507	2	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C-3:C-3:H-1:	C(CC[5a]2)(CCH)(H)	C(C[5a]C[5a]N[5a])2(CCH)	C(CC[5a]2)(CCH)(H)	C(CC[5a]2)(CCH)(H)	C(C[5a]C[5a]N[5a])2(CCH)	C(CC[5a]2)(CCH)(H)	121.4640	2.712	7	121.4640	7.357	7	121.4640	7.357	7	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C[5a]-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[5a]2)(CC[6a]H)(H)	C(C[5a]C[5a]N[5a])2(CCH)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5a]2)(CC[6a]H)(H)	C(C[5a]C[5a]N[5a])2(CCH)	C(C[6a]C[6a]2)(CCH)(H)	124.7840	0.000	1	124.7840	0.000	1	124.7840	0.000	1	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(CC[5a]C[6a])(CCH)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	C(CCH)2(H)	C(CC[5a]C[6a])(CCH)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	C(CCH)2(H)	127.8130	2.280	2	127.8130	5.197	2	127.8130	5.197	2	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(CC[5a]C[6a])(CC[6a]O)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[5a]C[6a])(CC[6a]O)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	125.4430	0.000	1	125.4430	0.000	1	125.4430	0.000	1	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C[6a]-3:C-3:	N[6]-3:C-3:O-1:	C(CC[5a]C[6a])(CN[6]O)(H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCH)	C(N[6]C[6]2)(CCH)(O)	C(CC[5a]C[6a])(CN[6]O)(H)	C(C[5a]C[5a]S[5a])(C[6a]C[6a]2)(CCH)	C(N[6]C[6]2)(CCH)(O)	123.3970	0.000	1	123.3970	0.000	1	123.3970	0.000	1	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]O)(CC[6]C)(H)	C(C[6]C[5,6]C[6])(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]O)(CC[6]C)(H)	C(C[6]C[5,6]C[6])(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	122.4315	0.001	2	122.4315	0.000	2	122.4315	0.000	2	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6]-3:C-3:N-3:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CC[6]N)(H)	C(C[6]N[6]O[6])(CCH)(NCS)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[6]N)(H)	C(C[6]N[6]O[6])(CCH)(NCS)	C(C[6a]C[6a]2)(CCH)(H)	125.2680	0.000	1	125.2680	0.000	1	125.2680	0.000	1	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(CC[6a]C[6])(CCH)(H)	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)(CCH)	C(CCH)(COO)(H)	C(CC[6a]C[6])(CCH)(H)	C(C[6]C[6,6a]O[6])(C[6a]C[6a]2)(CCH)	C(CCH)(COO)(H)	126.3590	0.000	1	126.3590	0.000	1	126.3590	0.000	1	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a,6a]2)(CCC)(CCH)	C(CCH)2(H)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a,6a]2)(CCC)(CCH)	C(CCH)2(H)	126.6520	0.000	1	126.6520	0.000	1	128.1198	8.709	26	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a,6a]2)(CCH)(CCO)	C(CCH)2(H)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a,6a]2)(CCH)(CCO)	C(CCH)2(H)	130.9350	0.000	1	130.9350	0.000	1	128.1198	8.709	26	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CCH)(CCO)(H)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CCH)(CCO)(H)	132.4797	1.214	3	132.4797	1.473	3	128.1198	8.709	26	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)(CCH)(H)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)(CCH)(H)	124.1533	1.797	3	124.1533	3.231	3	128.1198	8.709	26	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(COO)	C(CC[6a]C)(CCH)(H)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(COO)	C(CC[6a]C)(CCH)(H)	125.5860	0.000	1	125.5860	0.000	1	128.1198	8.709	26	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(COO)	C(CC[6a]H)(CCH)(H)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(COO)	C(CC[6a]H)(CCH)(H)	127.9780	0.000	1	127.9780	0.000	1	128.1198	8.709	26	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)2	C(CCC)(CCH)(H)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)2	C(CCC)(CCH)(H)	127.9880	1.717	2	127.9880	2.948	2	128.1198	8.709	26	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)2	C(CCH)(CCN)(H)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)2	C(CCH)(CCN)(H)	130.7515	0.241	2	130.7515	0.058	2	128.1198	8.709	26	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)2	C(CCH)(CCO)(H)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)2	C(CCH)(CCO)(H)	131.0820	0.339	3	131.0820	0.115	3	128.1198	8.709	26	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(CCH)	C(CCH)(COO)(H)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(CCH)	C(CCH)(COO)(H)	126.3260	0.000	1	126.3260	0.000	1	128.1198	8.709	26	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(CCH)	C(CC[5]H)(CCH)(H)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(CCH)	C(CC[5]H)(CCH)(H)	127.8520	2.353	3	127.8520	5.536	3	128.1198	8.709	26	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6]C)(CCH)	C(CCH)(COO)(H)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6]C)(CCH)	C(CCH)(COO)(H)	124.8340	0.000	1	124.8340	0.000	1	128.1198	8.709	26	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C(CC[6a]C)(CCH)(H)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C(CC[6a]C)(CCH)(H)	125.9520	0.000	1	125.9520	0.000	1	128.1198	8.709	26	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCH)	C(CCH)2(H)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCH)	C(CCH)2(H)	127.6840	0.000	1	127.6840	0.000	1	128.1198	8.709	26	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCH)	C(CC[6a]C)(CCH)(H)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCH)	C(CC[6a]C)(CCH)(H)	125.7680	0.000	1	125.7680	0.000	1	128.1198	8.709	26	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]Pt)(CCH)	C(CPtH)(CCH)(H)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]Pt)(CCH)	C(CPtH)(CCH)(H)	125.2190	0.000	1	125.2190	0.000	1	128.1198	8.709	26	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C(C[6a]C[6a]2)(CCH)(H)	125.4349	1.066	10	125.4349	1.136	10	125.7178	1.453	13	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CCH)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CCH)	C(C[6a]C[6a]2)(CCH)(H)	126.7160	0.000	1	126.7160	0.000	1	125.7178	1.453	13	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(CCH)(H)	128.0020	0.000	1	128.0020	0.000	1	125.7178	1.453	13	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CP[6]H)(CCH)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CP[6]H)(CCH)	C(C[6a]C[6a]2)(CCH)(H)	125.2640	0.000	1	125.2640	0.000	1	125.7178	1.453	13	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(COO)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(COO)	C(C[6a]C[6a]2)(CCH)(O)	126.7110	0.000	1	126.7110	0.000	1	126.8663	8.580	4	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	124.8795	0.880	2	124.8795	0.775	2	126.8663	8.580	4	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	130.9950	0.000	1	130.9950	0.000	1	126.8663	8.580	4	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:C-3:H-1:	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(NCC)	C(CCH)2(H)	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(NCC)	C(CCH)2(H)	127.5885	1.027	2	127.5885	1.056	2	126.4113	4.685	3	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:C-3:H-1:	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(NOO)	C(CC[6a]N[6])(CCH)(H)	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(NOO)	C(CC[6a]N[6])(CCH)(H)	124.0570	0.000	1	124.0570	0.000	1	126.4113	4.685	3	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:N-3:H-1:	C(CC[6a]N)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(NCC)	C(CCH)(NCC)(H)	C(CC[6a]N)(CHN)(H)	C(C[6a]C[6a]2)(CCH)(NCC)	C(CCH)(NCC)(H)	121.3877	1.059	3	121.3877	1.121	3	121.3877	1.121	3	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:N-3:O-1:	C(CC[6a]N)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C(CCH)(NCH)(O)	C(CC[6a]N)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C(CCH)(NCH)(O)	133.1800	0.000	1	133.1800	0.000	1	128.6050	41.861	2	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:N-3:O-1:	C(CC[6a]N)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(NCS)	C(CCH)(NCC)(O)	C(CC[6a]N)(CNO)(H)	C(C[6a]C[6a]2)(CCH)(NCS)	C(CCH)(NCC)(O)	124.0300	0.000	1	124.0300	0.000	1	128.6050	41.861	2	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C[5a]-3:C-3:O-1:	C(CC[5a]O)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C(C[5a]C[5a]2)(CCH)(O)	C(CC[5a]O)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C(C[5a]C[5a]2)(CCH)(O)	122.3060	0.000	1	122.3060	0.000	1	122.3060	0.000	1	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NCO)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NCO)	C(C[6a]C[6a]2)(CCH)(H)	123.3930	0.000	1	123.3930	0.000	1	123.3930	0.000	1	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C[6a]-3:C-3:O-1:	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(NCC)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(NCC)	C(C[6a]C[6a]2)(CCH)(O)	125.4443	1.490	4	125.4443	2.221	4	124.6801	1.973	8	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C[6a]-3:C-3:O-1:	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C(C[6a]C[6a]2)(CCH)(O)	123.4080	0.716	2	123.4080	0.512	2	124.6801	1.973	8	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C[6a]-3:C-3:O-1:	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(NHH)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(NHH)	C(C[6a]C[6a]2)(CCH)(O)	123.7420	0.000	1	123.7420	0.000	1	124.6801	1.973	8	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C[6a]-3:C-3:O-1:	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(NSS)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCH)(NSS)	C(C[6a]C[6a]2)(CCH)(O)	125.1060	0.000	1	125.1060	0.000	1	124.6801	1.973	8	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C[4]-3:C-3:	C-3:N-3:H-1:	C(CC[6a]C[4])(CHN)(H)	C(C[6a]C[6a]2)(C[4]C[4]2)(CCH)	C(CCH)(NCS)(H)	C(CC[6a]C[4])(CHN)(H)	C(C[6a]C[6a]2)(C[4]C[4]2)(CCH)	C(CCH)(NCS)(H)	132.2535	0.477	2	132.2535	0.228	2	132.2535	0.228	2	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C[5]-3:C-3:	C-3:C-3:H-1:	C(CC[6a]C[5])(CCH)(H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(CCH)	C(CCH)2(H)	C(CC[6a]C[5])(CCH)(H)	C(C[6a]C[6a,6a]C[6a])(C[5]C[5]2)(CCH)	C(CCH)2(H)	131.1105	0.206	4	131.1105	0.042	4	131.1105	0.042	4	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]C[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCH)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]C[5])(CC[6a]H)(H)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCH)	C(C[6a]C[6a]2)(CCH)(H)	124.2710	0.000	1	124.2710	0.000	1	124.2710	0.000	1	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C[6]-3:C-3:	C-3:C-3:H-1:	C(CC[6a]C[6])(CCH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCH)	C(CC[6a]2)(CCH)(H)	C(CC[6a]C[6])(CCH)(H)	C(C[6a]C[6a]2)(C[6]C[6]2)(CCH)	C(CC[6a]2)(CCH)(H)	127.2490	0.000	1	127.2490	0.000	1	127.2490	0.000	1	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(CC[6a]2)(CCH)(H)	C(C[6a]C[6a]2)2(CCH)	C(CCH)(CHH)(H)	C(CC[6a]2)(CCH)(H)	C(C[6a]C[6a]2)2(CCH)	C(CCH)(CHH)(H)	126.1420	0.000	1	126.1420	0.000	1	126.2954	1.715	19	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(CC[6a]2)(CCH)(H)	C(C[6a]C[6a]2)2(CCH)	C(CCH)2(H)	C(CC[6a]2)(CCH)(H)	C(C[6a]C[6a]2)2(CCH)	C(CCH)2(H)	125.9587	2.071	3	125.9587	4.288	3	126.2954	1.715	19	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(CC[6a]2)(CCH)(H)	C(C[6a]C[6a]2)2(CCH)	C(CC[6a]2)(CCH)(H)	C(CC[6a]2)(CCH)(H)	C(C[6a]C[6a]2)2(CCH)	C(CC[6a]2)(CCH)(H)	126.3611	1.347	12	126.3611	1.815	12	126.2954	1.715	19	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(CC[6a]2)(CCH)(H)	C(C[6a]C[6a]2)2(CCH)	C(CC[6a]H)(CCH)(H)	C(CC[6a]2)(CCH)(H)	C(C[6a]C[6a]2)2(CCH)	C(CC[6a]H)(CCH)(H)	126.4203	0.968	3	126.4203	0.937	3	126.2954	1.715	19	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-1:	C(CC[6a]2)(CCO)(H)	C(C[6a]C[6a]2)2(CCH)	C(CCH)2(O)	C(CC[6a]2)(CCO)(H)	C(C[6a]C[6a]2)2(CCH)	C(CCH)2(O)	129.6158	0.988	6	129.6158	0.975	6	129.6158	0.975	6	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(CC[6a]2)(CNO)(H)	C(C[6a]C[6a]2)2(CCH)	C(CCH)(NCH)(O)	C(CC[6a]2)(CNO)(H)	C(C[6a]C[6a]2)2(CCH)	C(CCH)(NCH)(O)	125.9620	0.000	1	125.9620	0.000	1	125.9620	0.000	1	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N-3:C-3:H-1:	C(CC[6a]2)(CHN)(H)	C(C[6a]C[6a]2)2(CCH)	C(NC[6a]Cu)(CCH)(H)	C(CC[6a]2)(CHN)(H)	C(C[6a]C[6a]2)2(CCH)	C(NC[6a]Cu)(CCH)(H)	126.9250	0.000	1	126.9250	0.000	1	125.6095	0.858	4	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N-3:C-3:H-1:	C(CC[6a]2)(CHN)(H)	C(C[6a]C[6a]2)2(CCH)	C(NCuC)(CCH)(H)	C(CC[6a]2)(CHN)(H)	C(C[6a]C[6a]2)2(CCH)	C(NCuC)(CCH)(H)	125.1710	0.366	3	125.1710	0.134	3	125.6095	0.858	4	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N-3:C-3:O-1:	C(CC[6a]2)(CNO)(H)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CCH)	C(NC[5a]H)(CCH)(O)	C(CC[6a]2)(CNO)(H)	C(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)(CCH)	C(NC[5a]H)(CCH)(O)	135.8060	0.000	1	135.8060	0.000	1	131.5430	36.346	2	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N-3:C-3:O-1:	C(CC[6a]2)(CNO)(H)	C(C[6a]C[6a]2)2(CCH)	C(NC[6a]C)(CCH)(O)	C(CC[6a]2)(CNO)(H)	C(C[6a]C[6a]2)2(CCH)	C(NC[6a]C)(CCH)(O)	127.2800	0.000	1	127.2800	0.000	1	131.5430	36.346	2	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	N[6]-3:C-3:O-1:	C(CC[6a]2)(CN[6]O)(H)	C(C[6a]C[6a]2)2(CCH)	C(N[6]C[6]2)(CCH)(O)	C(CC[6a]2)(CN[6]O)(H)	C(C[6a]C[6a]2)2(CCH)	C(N[6]C[6]2)(CCH)(O)	126.3893	0.177	3	126.3893	0.031	3	126.3893	0.031	3	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:C-3:H-1:	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(NC[6a]2)(CCH)	C(CC[6a]P)(CCH)(H)	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(NC[6a]2)(CCH)	C(CC[6a]P)(CCH)(H)	124.7055	3.458	2	124.7055	11.961	2	124.7473	4.564	6	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:C-3:H-1:	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	C(CC[6a]N)(CCH)(H)	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	C(CC[6a]N)(CCH)(H)	126.0355	0.868	2	126.0355	0.753	2	124.7473	4.564	6	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-3:C-3:H-1:	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	C(CC[6a]P)(CCH)(H)	C(CC[6a]N)(CCH)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	C(CC[6a]P)(CCH)(H)	123.5010	1.918	2	123.5010	3.677	2	124.7473	4.564	6	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NZnN)(CCH)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NZnN)(CCH)	C(C[6a]C[6a]2)(CCH)(H)	124.9073	1.171	4	124.9073	1.372	4	124.9073	1.372	4	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6]H)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	123.8360	0.000	1	123.8360	0.000	1	124.4362	0.159	6	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	124.5562	0.301	5	124.5562	0.091	5	124.4362	0.159	6	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	N-3:C-3:O-1:	C(CC[6a]N)(CNO)(H)	C(C[6a]C[6a]2)(NC[6]H)(CCH)	C(NC[6]C)(CCH)(O)	C(CC[6a]N)(CNO)(H)	C(C[6a]C[6a]2)(NC[6]H)(CCH)	C(NC[6]C)(CCH)(O)	126.4710	0.000	1	126.4710	0.000	1	126.4710	0.000	1	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:N[6]-3:C-3:	C-3:C-3:H-1:	C(CC[6a]N[6])(CCH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CCH)	C(CC[6a]N)(CCH)(H)	C(CC[6a]N[6])(CCH)(H)	C(C[6a]C[6a]2)(N[6]C[6]2)(CCH)	C(CC[6a]N)(CCH)(H)	124.5660	0.000	1	124.5660	0.000	1	124.5660	0.000	1	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:O-3:C-3:	C-3:C-3:H-1:	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(OC[6a]Rh)(CCH)	C(CC[6a]Rh)(CCH)(H)	C(CC[6a]O)(CCH)(H)	C(C[6a]C[6a]2)(OC[6a]Rh)(CCH)	C(CC[6a]Rh)(CCH)(H)	125.4205	0.373	2	125.4205	0.139	2	125.4205	0.139	2	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:P-3:C-3:	C-3:C-3:H-1:	C(CC[6a]P)(CCH)(H)	C(C[6a]C[6a]2)(PC[6a]2)(CCH)	C(CC[6a]N)(CCH)(H)	C(CC[6a]P)(CCH)(H)	C(C[6a]C[6a]2)(PC[6a]2)(CCH)	C(CC[6a]N)(CCH)(H)	126.5757	1.026	4	126.5757	1.052	4	126.5757	1.052	4	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(NAlC)(CCH)(CCO)	C(CCH)2(H)	C(CCH)(CCN)(H)	C(NAlC)(CCH)(CCO)	C(CCH)2(H)	130.6250	0.244	3	130.6250	0.060	3	132.0371	1.965	88	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(NAuC)(CCH)(CCN)	C(CCH)2(H)	C(CCH)(CCN)(H)	C(NAuC)(CCH)(CCN)	C(CCH)2(H)	132.6840	0.467	2	132.6840	0.218	2	132.0371	1.965	88	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(NC[5]H)(CCH)(CCO)	C(CCH)2(H)	C(CCH)(CCN)(H)	C(NC[5]H)(CCH)(CCO)	C(CCH)2(H)	130.5380	0.000	1	130.5380	0.000	1	132.0371	1.965	88	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(NC[6]Au)(CCH)(CCN)	C(CCH)2(H)	C(CCH)(CCN)(H)	C(NC[6]Au)(CCH)(CCN)	C(CCH)2(H)	134.5490	1.918	2	134.5490	3.677	2	132.0371	1.965	88	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(NC[6]H)(CCH)(CCO)	C(CCH)2(H)	C(CCH)(CCN)(H)	C(NC[6]H)(CCH)(CCO)	C(CCH)2(H)	130.7910	0.000	1	130.7910	0.000	1	132.0371	1.965	88	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(NC[6]Zn)(CCH)(CCN)	C(CCH)2(H)	C(CCH)(CCN)(H)	C(NC[6]Zn)(CCH)(CCN)	C(CCH)2(H)	133.4472	0.336	4	133.4472	0.113	4	132.0371	1.965	88	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(NC[6a]H)(CCH)(CCN)	C(CCH)(CCN)(H)	C(CCH)(CCN)(H)	C(NC[6a]H)(CCH)(CCN)	C(CCH)(CCN)(H)	127.5390	0.000	1	127.5390	0.000	1	132.0371	1.965	88	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(NC[6a]H)(CCH)(CCO)	C(CCH)2(H)	C(CCH)(CCN)(H)	C(NC[6a]H)(CCH)(CCO)	C(CCH)2(H)	130.5477	0.241	3	130.5477	0.058	3	132.0371	1.965	88	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(NC[6a]Li)(CCH)(CCN)	C(CCH)2(H)	C(CCH)(CCN)(H)	C(NC[6a]Li)(CCH)(CCN)	C(CCH)2(H)	132.8650	0.000	1	132.8650	0.000	1	132.0371	1.965	88	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(NC[6a]Ni)(CCH)(CCO)	C(CCH)2(H)	C(CCH)(CCN)(H)	C(NC[6a]Ni)(CCH)(CCO)	C(CCH)2(H)	131.2380	0.990	2	131.2380	0.980	2	132.0371	1.965	88	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(NC[6a]Pt)(CCH)(CCN)	C(CCH)(CCN)(H)	C(CCH)(CCN)(H)	C(NC[6a]Pt)(CCH)(CCN)	C(CCH)(CCN)(H)	130.0530	1.701	2	130.0530	2.894	2	132.0371	1.965	88	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(NC[6a]Pt)(CCH)(CCN)	C(CCH)2(H)	C(CCH)(CCN)(H)	C(NC[6a]Pt)(CCH)(CCN)	C(CCH)2(H)	131.9704	0.549	8	131.9704	0.302	8	132.0371	1.965	88	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(NC[6a]Rh)(CCH)(CCN)	C(CCH)2(H)	C(CCH)(CCN)(H)	C(NC[6a]Rh)(CCH)(CCN)	C(CCH)2(H)	132.1270	0.000	1	132.1270	0.000	1	132.0371	1.965	88	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(NCoC)(CCH)(CCN)	C(CCH)2(H)	C(CCH)(CCN)(H)	C(NCoC)(CCH)(CCN)	C(CCH)2(H)	131.6659	1.131	25	131.6659	1.280	25	132.0371	1.965	88	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(NCuC)(CCH)(CCO)	C(CCH)2(H)	C(CCH)(CCN)(H)	C(NCuC)(CCH)(CCO)	C(CCH)2(H)	130.8833	0.354	3	130.8833	0.125	3	132.0371	1.965	88	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(NFeC)(CCH)(CCN)	C(CCH)2(H)	C(CCH)(CCN)(H)	C(NFeC)(CCH)(CCN)	C(CCH)2(H)	132.0700	0.538	8	132.0700	0.290	8	132.0371	1.965	88	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(NLiC)(CCH)(CCN)	C(CCH)2(H)	C(CCH)(CCN)(H)	C(NLiC)(CCH)(CCN)	C(CCH)2(H)	134.4970	0.353	5	134.4970	0.124	5	132.0371	1.965	88	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(NMgC)(CCH)(CCN)	C(CCH)2(H)	C(CCH)(CCN)(H)	C(NMgC)(CCH)(CCN)	C(CCH)2(H)	133.6230	0.258	4	133.6230	0.067	4	132.0371	1.965	88	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(NPdC)(CCH)(CCO)	C(CCH)2(H)	C(CCH)(CCN)(H)	C(NPdC)(CCH)(CCO)	C(CCH)2(H)	130.8855	0.151	2	130.8855	0.023	2	132.0371	1.965	88	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(NRhC)(CCH)(CCN)	C(CCH)2(H)	C(CCH)(CCN)(H)	C(NRhC)(CCH)(CCN)	C(CCH)2(H)	133.1920	0.000	1	133.1920	0.000	1	132.0371	1.965	88	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(NSnC)(CCH)(CCN)	C(CCH)2(H)	C(CCH)(CCN)(H)	C(NSnC)(CCH)(CCN)	C(CCH)2(H)	132.1395	0.042	2	132.1395	0.002	2	132.0371	1.965	88	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(NSnC)(CCH)(CCO)	C(CCH)2(H)	C(CCH)(CCN)(H)	C(NSnC)(CCH)(CCO)	C(CCH)2(H)	131.4760	0.083	2	131.4760	0.007	2	132.0371	1.965	88	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(NSrC)(CCH)(CCN)	C(CCH)2(H)	C(CCH)(CCN)(H)	C(NSrC)(CCH)(CCN)	C(CCH)2(H)	133.5080	0.557	2	133.5080	0.310	2	132.0371	1.965	88	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(NZnC)(CCH)(CCN)	C(CCH)2(H)	C(CCH)(CCN)(H)	C(NZnC)(CCH)(CCN)	C(CCH)2(H)	132.9415	0.258	2	132.9415	0.067	2	132.0371	1.965	88	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(NZnC)(CCH)(CCO)	C(CCH)2(H)	C(CCH)(CCN)(H)	C(NZnC)(CCH)(CCO)	C(CCH)2(H)	132.3610	0.000	1	132.3610	0.000	1	132.0371	1.965	88	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	N[5]-3:C-3:C-3:	C-3:C-3:H-1:	C(CN[5]C)(CCH)(H)	C(N[5]C[5]2)(CCH)(COO)	C(CC[6a]H)(CCH)(H)	C(CN[5]C)(CCH)(H)	C(N[5]C[5]2)(CCH)(COO)	C(CC[6a]H)(CCH)(H)	126.3950	0.000	1	126.3950	0.000	1	128.6645	4.756	4	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	N[5]-3:C-3:C-3:	C-3:C-3:H-1:	C(CN[5]C)(CCH)(H)	C(N[5]C[5]2)(CPdC)(CCH)	C(CCH)2(H)	C(CN[5]C)(CCH)(H)	C(N[5]C[5]2)(CPdC)(CCH)	C(CCH)2(H)	128.3140	0.216	2	128.3140	0.047	2	128.6645	4.756	4	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	N[5]-3:C-3:C-3:	C-3:C-3:H-1:	C(CN[5]C)(CCH)(H)	C(N[5]C[5]N[5])(CCH)(CCO)	C(CCH)2(H)	C(CN[5]C)(CCH)(H)	C(N[5]C[5]N[5])(CCH)(CCO)	C(CCH)2(H)	131.6350	0.000	1	131.6350	0.000	1	128.6645	4.756	4	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	N[6]-3:C-3:C-3:	C-3:C-3:H-1:	C(CN[6]C)(CCH)(H)	C(N[6]C[6]2)(CCH)(CCO)	C(CCH)(CCO)(H)	C(CN[6]C)(CCH)(H)	C(N[6]C[6]2)(CCH)(CCO)	C(CCH)(CCO)(H)	133.6045	0.938	2	133.6045	0.880	2	130.2657	3.144	12	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	N[6]-3:C-3:C-3:	C-3:C-3:H-1:	C(CN[6]C)(CCH)(H)	C(N[6]C[6]2)(CCH)2	C(CCC)(CCH)(H)	C(CN[6]C)(CCH)(H)	C(N[6]C[6]2)(CCH)2	C(CCC)(CCH)(H)	130.8350	0.074	2	130.8350	0.005	2	130.2657	3.144	12	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	N[6]-3:C-3:C-3:	C-3:C-3:H-1:	C(CN[6]C)(CCH)(H)	C(N[6]C[6]2)(CCH)2	C(CCH)2(H)	C(CN[6]C)(CCH)(H)	C(N[6]C[6]2)(CCH)2	C(CCH)2(H)	129.2886	0.667	8	129.2886	0.445	8	130.2657	3.144	12	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	O-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(OZn2)(CCH)(CCN)	C(CCH)2(H)	C(CCH)(CCO)(H)	C(OZn2)(CCH)(CCN)	C(CCH)2(H)	132.5610	0.000	1	132.5610	0.000	1	132.5610	0.000	1	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	S-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCS)(H)	C(SC[5x3,5x5,20x6]Co)(CC[5]O)(CCH)	C(CCoC)(CCH)(H)	C(CCH)(CCS)(H)	C(SC[5x3,5x5,20x6]Co)(CC[5]O)(CCH)	C(CCoC)(CCH)(H)	127.3370	0.000	1	127.3370	0.000	1	128.1510	1.325	2	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	S-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCS)(H)	C(SRuC)(CCH)(CCO)	C(CRuH)(CCH)(H)	C(CCH)(CCS)(H)	C(SRuC)(CCH)(CCO)	C(CRuH)(CCH)(H)	128.9650	0.000	1	128.9650	0.000	1	128.1510	1.325	2	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:H-1:	S-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(CC[6a]S)(CCH)(H)	C(SC[5x3,5x5,20x6]Co)(C[6a]C[6a]2)(CCH)	C(CC[6a]Co)(CCH)(H)	C(CC[6a]S)(CCH)(H)	C(SC[5x3,5x5,20x6]Co)(C[6a]C[6a]2)(CCH)	C(CC[6a]Co)(CCH)(H)	131.4930	0.387	2	131.4930	0.150	2	131.4930	0.150	2	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:I-1:	N[5a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]N[5a])(CC[6a]O)(I)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCI)	C(C[6a]C[6a]2)(CCI)(O)	C(CC[6a]N[5a])(CC[6a]O)(I)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCI)	C(C[6a]C[6a]2)(CCI)(O)	124.5450	0.891	2	124.5450	0.794	2	124.5450	0.794	2	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:O-1:	C-3:C-3:C-3:	C-3:C-3:Cl-1:	C(CClC)(CCC)(O)	C(CC[6a]O)(CCO)2	C(CClC)(CCO)(Cl)	C(CClC)(CCC)(O)	C(CC[6a]O)(CCO)2	C(CClC)(CCO)(Cl)	122.0265	0.452	2	122.0265	0.204	2	122.0265	0.204	2	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:O-1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(O)	C(CAsC)(CCH)(CCO)	C(CCH)(CCO)(H)	C(CCC)(CCH)(O)	C(CAsC)(CCH)(CCO)	C(CCH)(CCO)(H)	124.9180	0.000	1	124.9180	0.000	1	123.0862	5.622	9	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:O-1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(O)	C(CCH)(CCO)(CCP)	C(CCH)(CCO)(H)	C(CCC)(CCH)(O)	C(CCH)(CCO)(CCP)	C(CCH)(CCO)(H)	127.9700	0.000	1	127.9700	0.000	1	123.0862	5.622	9	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:O-1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(O)	C(CC[5a]H)(CCO)(COO)	C(CCO)2(H)	C(CCC)(CCH)(O)	C(CC[5a]H)(CCO)(COO)	C(CCO)2(H)	122.1430	0.580	2	122.1430	0.336	2	123.0862	5.622	9	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:O-1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(O)	C(CC[6a]H)(CCO)(CNO)	C(CC[6a]H)(CCO)(H)	C(CCC)(CCH)(O)	C(CC[6a]H)(CCO)(CNO)	C(CC[6a]H)(CCO)(H)	119.4320	0.000	1	119.4320	0.000	1	123.0862	5.622	9	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:O-1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(O)	C(CC[6a]H)(CCO)(COO)	C(CC[6a]H)(CCO)(H)	C(CCC)(CCH)(O)	C(CC[6a]H)(CCO)(COO)	C(CC[6a]H)(CCO)(H)	123.8280	0.000	1	123.8280	0.000	1	123.0862	5.622	9	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:O-1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(O)	C(CC[6a]O)(CCH)(CCO)	C(CCH)(CCO)(H)	C(CCC)(CCH)(O)	C(CC[6a]O)(CCH)(CCO)	C(CCH)(CCO)(H)	122.4473	0.512	3	122.4473	0.262	3	123.0862	5.622	9	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:O-1:	C-3:C-3:N-3:	C-3:C-3:H-1:	C(CCH)(CCN)(O)	C(CCH)(CCO)(NCH)	C(CCH)(CCO)(H)	C(CCH)(CCN)(O)	C(CCH)(CCO)(NCH)	C(CCH)(CCO)(H)	123.2918	0.377	11	123.2918	0.142	11	123.0191	0.515	16	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:O-1:	C-3:C-3:N-3:	C-3:C-3:H-1:	C(CCH)(CCN)(O)	C(CCH)(CCO)(NCN)	C(CCH)(CCO)(H)	C(CCH)(CCN)(O)	C(CCH)(CCO)(NCN)	C(CCH)(CCO)(H)	121.4410	0.058	2	121.4410	0.003	2	123.0191	0.515	16	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:O-1:	C-3:C-3:N-3:	C-3:C-3:H-1:	C(CCH)(CCN)(O)	C(CCH)(CCO)(NHH)	C(CCH)(CCO)(H)	C(CCH)(CCN)(O)	C(CCH)(CCO)(NHH)	C(CCH)(CCO)(H)	123.0710	0.492	3	123.0710	0.242	3	123.0191	0.515	16	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:O-1:	C[6a]-3:C-3:C-3:	C-3:C-3:Br-1:	C(CC[6a]C)(CBrC)(O)	C(C[6a]C[6a,6a]2)(CCH)(CCO)	C(CCH)(CCO)(Br)	C(CC[6a]C)(CBrC)(O)	C(C[6a]C[6a,6a]2)(CCH)(CCO)	C(CCH)(CCO)(Br)	121.4580	0.000	1	121.4580	0.000	1	121.4580	0.000	1	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:O-1:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]C[5])(CC[6a]O)(O)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCO)	C(C[6a]C[6a]2)(CCO)(O)	C(CC[6a]C[5])(CC[6a]O)(O)	C(C[6a]C[6a]2)(C[5]C[5]2)(CCO)	C(C[6a]C[6a]2)(CCO)(O)	114.7250	0.000	1	114.7250	0.000	1	119.6172	12.608	4	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:O-1:	C[6a]-3:C[5]-3:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]C[5])(CC[6a]O)(O)	C(C[6a]C[6a]2)(C[5]N[5]2)(CCO)	C(C[6a]C[6a]2)(CCO)(O)	C(CC[6a]C[5])(CC[6a]O)(O)	C(C[6a]C[6a]2)(C[5]N[5]2)(CCO)	C(C[6a]C[6a]2)(CCO)(O)	121.2480	1.719	3	121.2480	2.956	3	119.6172	12.608	4	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:O-1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(O)	C(NC[5]H)(CCH)(CCO)	C(CCH)(CCO)(H)	C(CCH)(CCN)(O)	C(NC[5]H)(CCH)(CCO)	C(CCH)(CCO)(H)	123.0620	0.000	1	123.0620	0.000	1	123.4798	0.124	5	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:O-1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(O)	C(NC[6]H)(CCH)(CCO)	C(CCH)(CCO)(H)	C(CCH)(CCN)(O)	C(NC[6]H)(CCH)(CCO)	C(CCH)(CCO)(H)	123.5530	0.000	1	123.5530	0.000	1	123.4798	0.124	5	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:O-1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(O)	C(NC[6a]H)(CCH)(CCO)	C(CCH)(CCO)(H)	C(CCH)(CCN)(O)	C(NC[6a]H)(CCH)(CCO)	C(CCH)(CCO)(H)	123.5947	0.371	3	123.5947	0.137	3	123.4798	0.124	5	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:O-1:	N[5]-3:C-3:C-3:	C-3:C-3:H-1:	C(CN[5]C)(CCH)(O)	C(N[5]C[5]N[5])(CCH)(CCO)	C(CCH)(CCO)(H)	C(CN[5]C)(CCH)(O)	C(N[5]C[5]N[5])(CCH)(CCO)	C(CCH)(CCO)(H)	123.4780	0.000	1	123.4780	0.000	1	123.4780	0.000	1	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:1:	C-3:C-3:O-1:	N[6]-3:C-3:C-3:	C-3:C-3:H-1:	C(CN[6]C)(CCH)(O)	C(N[6]C[6]2)(CCH)(CCO)	C(CCH)(CCO)(H)	C(CN[6]C)(CCH)(O)	C(N[6]C[6]2)(CCH)(CCO)	C(CCH)(CCO)(H)	121.6200	1.379	2	121.6200	1.901	2	121.6200	1.901	2	127.5949	15.182	369	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:2:	C-3:C-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:N-2:	C(CC[5a]C[6a])(CC[6a]N)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)	C(C[6a]C[6a]2)(CCH)(NO)	C(CC[5a]C[6a])(CC[6a]N)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)	C(C[6a]C[6a]2)(CCH)(NO)	125.0195	1.115	2	125.0195	1.243	2	125.0195	1.243	2	125.8270	6.475	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:C-3:C-2:	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)(CCH)(CN)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)(CCH)(CN)	124.4630	0.000	1	124.4630	0.000	1	124.4630	0.000	1	125.8270	6.475	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:C-3:O-2:	C(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(CCO)	C(CC[6a]C)(CCH)(OC)	C(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(CCO)	C(CC[6a]C)(CCH)(OC)	129.2200	0.000	1	129.2200	0.000	1	129.2200	0.000	1	125.8270	6.475	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:N-3:N-2:	C(CC[6a]C)(CNN)(H)	C(C[6a]C[6a]2)(CCH)2	C(CCH)(NCC)(NS)	C(CC[6a]C)(CNN)(H)	C(C[6a]C[6a]2)(CCH)2	C(CCH)(NCC)(NS)	122.9130	0.000	1	122.9130	0.000	1	122.9130	0.000	1	125.8270	6.475	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-2:	C(CC[6a]2)(CCO)(H)	C(C[6a]C[6a]2)2(CCH)	C(CCH)2(ORh)	C(CC[6a]2)(CCO)(H)	C(C[6a]C[6a]2)2(CCH)	C(CCH)2(ORh)	128.6210	0.000	1	128.6210	0.000	1	128.0835	0.578	2	125.8270	6.475	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:O-2:	C(CC[6a]2)(CCO)(H)	C(C[6a]C[6a]2)2(CCH)	C(CC[6a]H)(CCH)(OC)	C(CC[6a]2)(CCO)(H)	C(C[6a]C[6a]2)2(CCH)	C(CC[6a]H)(CCH)(OC)	127.5460	0.000	1	127.5460	0.000	1	128.0835	0.578	2	125.8270	6.475	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:O-3:C-3:	C[6a]-3:C-3:O-2:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(OCo2)(CCH)	C(C[6a]C[6a]2)(CCH)(OCo)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(OCo2)(CCH)	C(C[6a]C[6a]2)(CCH)(OCo)	125.5060	0.000	1	125.5060	0.000	1	126.4546	3.505	5	125.8270	6.475	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:O-3:C-3:	C[6a]-3:C-3:O-2:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(OCoNi)(CCH)	C(C[6a]C[6a]2)(CCH)(OCo)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(OCoNi)(CCH)	C(C[6a]C[6a]2)(CCH)(OCo)	126.8070	0.000	1	126.8070	0.000	1	126.4546	3.505	5	125.8270	6.475	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:O-3:C-3:	C[6a]-3:C-3:O-2:	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(ONi2)(CCH)	C(C[6a]C[6a]2)(CCH)(ONi)	C(CC[6a]O)2(H)	C(C[6a]C[6a]2)(ONi2)(CCH)	C(C[6a]C[6a]2)(CCH)(ONi)	126.6533	2.538	3	126.6533	6.440	3	126.4546	3.505	5	125.8270	6.475	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:2:	C-3:C-3:O-1:	C-3:C-3:N-3:	C-3:C-3:O-2:	C(CCN)(CCO)(O)	C(CCH)(CCO)(NOO)	C(CCH)(CCO)(OH)	C(CCN)(CCO)(O)	C(CCH)(CCO)(NOO)	C(CCH)(CCO)(OH)	120.6760	0.000	1	120.6760	0.000	1	120.6760	0.000	1	125.8270	6.475	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:3:	C-3:C-3:Cl-1:	C[6a]-3:C-3:N-3:	C[6a]-3:C-3:N-3:	C(CC[6a]N)2(Cl)	C(C[6a]C[6a]2)(CClC)(NCC)	C(C[6a]C[6a]2)(CClC)(NCC)	C(CC[6a]N)2(Cl)	C(C[6a]C[6a]2)(CClC)(NCC)	C(C[6a]C[6a]2)(CClC)(NCC)	130.0590	0.000	1	130.0590	0.000	1	130.0590	0.000	1	124.1382	44.766	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C(CCC)2(H)	C(CCH)2(CCO)	C(CCH)2(CCO)	C(CCC)2(H)	C(CCH)2(CCO)	C(CCH)2(CCO)	121.9316	1.191	12	121.9316	1.418	12	121.9316	1.418	12	124.1382	44.766	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:3:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-3:C-3:C-3:	C(CCC)(CCN)(H)	C(CCH)(COO)(NCH)	C(CCH)2(COO)	C(CCC)(CCN)(H)	C(CCH)(COO)(NCH)	C(CCH)2(COO)	129.8890	0.000	1	129.8890	0.000	1	129.8890	0.000	1	124.1382	44.766	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:3:	C-3:C-3:H-1:	C[5]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]2)(CC[5]C)(H)	C(C[5]S[5]2)(CC[6a]O)(CCH)	C(C[6a]C[6a]2)2(CCH)	C(CC[6a]2)(CC[5]C)(H)	C(C[5]S[5]2)(CC[6a]O)(CCH)	C(C[6a]C[6a]2)2(CCH)	128.3630	0.000	1	128.3630	0.000	1	128.3630	0.000	1	124.1382	44.766	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:3:	C-3:C-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(CC[5a]C[6a])(CC[6a]C)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)	C(C[6a]C[6a]2)(CCH)(CHH)	C(CC[5a]C[6a])(CC[6a]C)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)	C(C[6a]C[6a]2)(CCH)(CHH)	127.6940	0.000	1	127.6940	0.000	1	127.6940	0.000	1	124.1382	44.766	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:3:	C-3:C-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(CC[5a]C[6a])(CC[6a]2)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)	C(C[6a]C[6a]2)2(CCH)	C(CC[5a]C[6a])(CC[6a]2)(H)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCH)	C(C[6a]C[6a]2)2(CCH)	126.6130	0.000	1	126.6130	0.000	1	126.6130	0.000	1	124.1382	44.766	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:C-3:C-3:	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CC[6a]Os)(CCH)	C(COsC)(CCH)(COO)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CC[6a]Os)(CCH)	C(COsC)(CCH)(COO)	131.4593	0.549	3	131.4593	0.302	3	131.4593	0.302	3	124.1382	44.766	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C(C[6a]C[6a]2)(CCC)(CCH)	129.2037	0.698	3	129.2037	0.487	3	129.2037	0.487	3	124.1382	44.766	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)2	C(C[6a]C[6a]2)2(CCH)	C(CC[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CCH)2	C(C[6a]C[6a]2)2(CCH)	129.3620	0.000	1	129.3620	0.000	1	129.3620	0.000	1	124.1382	44.766	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-3:C-3:C-3:	C(CC[6a]N)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(NCC)	C(CCH)2(COO)	C(CC[6a]N)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(NCC)	C(CCH)2(COO)	132.6110	0.000	1	132.6110	0.000	1	132.6110	0.000	1	124.1382	44.766	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:3:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NCS)	C(C[6a]C[6a]2)(CCH)2	C(CC[6a]C)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)(NCS)	C(C[6a]C[6a]2)(CCH)2	129.3060	0.000	1	129.3060	0.000	1	129.3060	0.000	1	124.1382	44.766	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C[6a]-3:N-3:C-3:	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NAlSi)(CCH)	C(C[6a]C[6a]2)(NAlSi)(CCH)	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NAlSi)(CCH)	C(C[6a]C[6a]2)(NAlSi)(CCH)	126.8320	0.000	1	126.8320	0.000	1	128.6299	4.753	10	124.1382	44.766	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C[6a]-3:N-3:C-3:	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NC[6a]Al)(CCH)	C(C[6a]C[6a]2)(NC[6a]Al)(CCH)	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NC[6a]Al)(CCH)	C(C[6a]C[6a]2)(NC[6a]Al)(CCH)	128.0605	0.275	2	128.0605	0.076	2	128.6299	4.753	10	124.1382	44.766	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C[6a]-3:N-3:C-3:	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NC[6a]Be)(CCH)	C(C[6a]C[6a]2)(NC[6a]Be)(CCH)	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NC[6a]Be)(CCH)	C(C[6a]C[6a]2)(NC[6a]Be)(CCH)	125.8060	0.120	2	125.8060	0.014	2	128.6299	4.753	10	124.1382	44.766	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C[6a]-3:N-3:C-3:	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NC[6a]Li)(CCH)	C(C[6a]C[6a]2)(NC[6a]Li)(CCH)	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NC[6a]Li)(CCH)	C(C[6a]C[6a]2)(NC[6a]Li)(CCH)	128.6360	0.000	1	128.6360	0.000	1	128.6299	4.753	10	124.1382	44.766	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C[6a]-3:N-3:C-3:	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NC[6a]Mg)(CCH)	C(C[6a]C[6a]2)(NC[6a]Mg)(CCH)	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NC[6a]Mg)(CCH)	C(C[6a]C[6a]2)(NC[6a]Mg)(CCH)	129.9610	0.000	1	129.9610	0.000	1	128.6299	4.753	10	124.1382	44.766	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C[6a]-3:N-3:C-3:	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NC[6a]Zn)(CCH)	C(C[6a]C[6a]2)(NC[6a]Zn)(CCH)	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NC[6a]Zn)(CCH)	C(C[6a]C[6a]2)(NC[6a]Zn)(CCH)	129.6630	0.000	1	129.6630	0.000	1	128.6299	4.753	10	124.1382	44.766	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C[6a]-3:N-3:C-3:	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NLiSi)(CCH)	C(C[6a]C[6a]2)(NLiSi)(CCH)	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NLiSi)(CCH)	C(C[6a]C[6a]2)(NLiSi)(CCH)	131.1430	0.000	1	131.1430	0.000	1	128.6299	4.753	10	124.1382	44.766	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C[6a]-3:N-3:C-3:	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NSiSn)(CCH)	C(C[6a]C[6a]2)(NSiSn)(CCH)	C(CC[6a]N)2(H)	C(C[6a]C[6a]2)(NSiSn)(CCH)	C(C[6a]C[6a]2)(NSiSn)(CCH)	132.3310	0.000	1	132.3310	0.000	1	128.6299	4.753	10	124.1382	44.766	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:3:	C-3:C-3:H-1:	N-3:C-3:N-3:	N-3:C-3:N-3:	C(CNN)2(H)	C(NC[6]H)(CCH)(NHH)	C(NC[6]H)(CCH)(NHH)	C(CNN)2(H)	C(NC[6]H)(CCH)(NHH)	C(NC[6]H)(CCH)(NHH)	130.3540	0.000	1	130.3540	0.000	1	127.4760	8.157	7	124.1382	44.766	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:3:	C-3:C-3:H-1:	N-3:C-3:N-3:	N-3:C-3:N-3:	C(CNN)2(H)	C(NC[6a]Al)(CCH)(NCC)	C(NC[6a]Al)(CCH)(NCC)	C(CNN)2(H)	C(NC[6a]Al)(CCH)(NCC)	C(NC[6a]Al)(CCH)(NCC)	128.1920	1.752	2	128.1920	3.070	2	127.4760	8.157	7	124.1382	44.766	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:3:	C-3:C-3:H-1:	N-3:C-3:N-3:	N-3:C-3:N-3:	C(CNN)2(H)	C(NC[6a]Ir)(CCH)(NCC)	C(NC[6a]Ir)(CCH)(NCC)	C(CNN)2(H)	C(NC[6a]Ir)(CCH)(NCC)	C(NC[6a]Ir)(CCH)(NCC)	124.5120	0.000	1	124.5120	0.000	1	127.4760	8.157	7	124.1382	44.766	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:3:	C-3:C-3:H-1:	N-3:C-3:N-3:	N-3:C-3:N-3:	C(CNN)2(H)	C(NC[6a]Rh)(CCH)(NCC)	C(NC[6a]Rh)(CCH)(NCC)	C(CNN)2(H)	C(NC[6a]Rh)(CCH)(NCC)	C(NC[6a]Rh)(CCH)(NCC)	122.8040	0.000	1	122.8040	0.000	1	127.4760	8.157	7	124.1382	44.766	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:3:	C-3:C-3:H-1:	N-3:C-3:N-3:	N-3:C-3:N-3:	C(CNN)2(H)	C(NC[6a]Zn)(CCH)(NCC)	C(NC[6a]Zn)(CCH)(NCC)	C(CNN)2(H)	C(NC[6a]Zn)(CCH)(NCC)	C(NC[6a]Zn)(CCH)(NCC)	128.6800	0.000	1	128.6800	0.000	1	127.4760	8.157	7	124.1382	44.766	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:3:	C-3:C-3:H-1:	N-3:C-3:N-3:	N-3:C-3:N-3:	C(CNN)2(H)	C(NSiSn)(CCH)(NCC)	C(NSiSn)(CCH)(NCC)	C(CNN)2(H)	C(NSiSn)(CCH)(NCC)	C(NSiSn)(CCH)(NCC)	129.5980	0.000	1	129.5980	0.000	1	127.4760	8.157	7	124.1382	44.766	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:3:	C-3:C-3:H-1:	S-3:C-3:C-3:	C-3:C-3:C-3:	C(CCC)(CCS)(H)	C(SC[5x3,5x5,20x6]Co)(CCH)(COO)	C(CCoH)(CCH)(COO)	C(CCC)(CCS)(H)	C(SC[5x3,5x5,20x6]Co)(CCH)(COO)	C(CCoH)(CCH)(COO)	129.1940	0.000	1	129.1940	0.000	1	129.6980	1.975	4	124.1382	44.766	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:3:	C-3:C-3:H-1:	S-3:C-3:C-3:	C-3:C-3:C-3:	C(CCC)(CCS)(H)	C(SC[5x3,5x5,20x6]Co)(CC[5]O)(CCH)	C(CC[5]O)(CCoH)(CCH)	C(CCC)(CCS)(H)	C(SC[5x3,5x5,20x6]Co)(CC[5]O)(CCH)	C(CC[5]O)(CCoH)(CCH)	131.7790	0.000	1	131.7790	0.000	1	129.6980	1.975	4	124.1382	44.766	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:3:	C-3:C-3:H-1:	S-3:C-3:C-3:	C-3:C-3:C-3:	C(CCC)(CCS)(H)	C(SC[5x3,5x5,20x6]Co)(CC[5a]O)(CCH)	C(CC[5a]O)(CCoH)(CCH)	C(CCC)(CCS)(H)	C(SC[5x3,5x5,20x6]Co)(CC[5a]O)(CCH)	C(CC[5a]O)(CCoH)(CCH)	128.9095	0.309	2	128.9095	0.095	2	129.6980	1.975	4	124.1382	44.766	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:3:	C-3:C-3:H-1:	Se-3:C-3:C-3:	C-3:C-3:C-3:	C(CSeC)(CCC)(H)	C(SeC[5x3,5x5,20x6]Co)(CCH)(COO)	C(CCoH)(CCH)(COO)	C(CSeC)(CCC)(H)	C(SeC[5x3,5x5,20x6]Co)(CCH)(COO)	C(CCoH)(CCH)(COO)	131.0710	0.000	1	131.0710	0.000	1	131.0710	0.000	1	124.1382	44.766	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:3:	C-3:C-3:O-1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C(CCC)2(O)	C(CCH)2(CCO)	C(CCH)2(CCO)	C(CCC)2(O)	C(CCH)2(CCO)	C(CCH)2(CCO)	112.3961	0.643	12	112.3961	0.413	12	112.3961	0.413	12	124.1382	44.766	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:3:	C-3:C-3:O-1:	C[5a]-3:C-3:C-3:	C-3:C-3:C-3:	C(CC[5a]C)(CCC)(O)	C(C[5a]C[5a]O[5a])(CCH)(CCO)	C(CC[6a]O)(CCH)(CCO)	C(CC[5a]C)(CCC)(O)	C(C[5a]C[5a]O[5a])(CCH)(CCO)	C(CC[6a]O)(CCH)(CCO)	121.8870	0.000	1	121.8870	0.000	1	121.8870	0.000	1	124.1382	44.766	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:3:	C-3:C-3:O-1:	C[6]-3:C-3:C-3:	C-3:C-3:N-3:	C(CC[6]C)(CCN)(O)	C(C[6]C[6]N[6])(CCO)2	C(CCC)(CCO)(NOO)	C(CC[6]C)(CCN)(O)	C(C[6]C[6]N[6])(CCO)2	C(CCC)(CCO)(NOO)	122.1830	0.000	1	122.1830	0.000	1	122.1830	0.000	1	124.1382	44.766	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:3:3:	C-3:C-3:O-1:	C[6a]-3:C-3:C-3:	C-3:C-3:C-3:	C(CC[6a]C)(CCC)(O)	C(C[6a]C[6a]2)(CCH)(CCO)	C(CCO)3	C(CC[6a]C)(CCC)(O)	C(C[6a]C[6a]2)(CCH)(CCO)	C(CCO)3	120.3240	0.000	1	120.3240	0.000	1	120.3240	0.000	1	124.1382	44.766	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-3:C-4:C-3:	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C(CC[6]H)(CSiCH)(CCH)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C(CC[6]H)(CSiCH)(CCH)	126.6210	0.000	1	126.6210	0.000	1	126.6210	0.000	1	127.1206	8.783	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-4:C-3:	C(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C(C[6a]C[6a]2)(CH3)(CCH)	C(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C(C[6a]C[6a]2)(CH3)(CCH)	129.2710	0.000	1	129.2710	0.000	1	129.4760	0.084	2	127.1206	8.783	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-4:C-3:	C(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CC[3x6]O)(CCH)	C(C[6a]C[6a]2)(CCHH)(CCH)	C(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CC[3x6]O)(CCH)	C(C[6a]C[6a]2)(CCHH)(CCH)	129.6810	0.000	1	129.6810	0.000	1	129.4760	0.084	2	127.1206	8.783	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	N-3:C-4:C-3:	C(CC[6a]C)(CCN)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCH)	C(NC[6a]S)(CHHS)(CCH)	C(CC[6a]C)(CCN)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCH)	C(NC[6a]S)(CHHS)(CCH)	127.2860	0.000	1	127.2860	0.000	1	127.2860	0.000	1	127.1206	8.783	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	N-3:C-4:C-3:	C(CC[6a]N)(CCN)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C(NC[6a]H)(CH3)(CCH)	C(CC[6a]N)(CCN)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C(NC[6a]H)(CH3)(CCH)	129.4750	0.970	2	129.4750	0.941	2	125.5254	7.470	11	127.1206	8.783	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	N-3:C-4:C-3:	C(CC[6a]N)(CCN)(H)	C(C[6a]C[6a]2)(NC[6a]Ni)(CCH)	C(NNiC)(CH3)(CCH)	C(CC[6a]N)(CCN)(H)	C(C[6a]C[6a]2)(NC[6a]Ni)(CCH)	C(NNiC)(CH3)(CCH)	124.2960	0.693	4	124.2960	0.480	4	125.5254	7.470	11	127.1206	8.783	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	N-3:C-4:C-3:	C(CC[6a]N)(CCN)(H)	C(C[6a]C[6a]2)(NCoH)(CCH)	C(NCoH)(CH3)(CCH)	C(CC[6a]N)(CCN)(H)	C(C[6a]C[6a]2)(NCoH)(CCH)	C(NCoH)(CH3)(CCH)	122.8300	0.248	3	122.8300	0.062	3	125.5254	7.470	11	127.1206	8.783	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	N-3:C-4:C-3:	C(CC[6a]N)(CCN)(H)	C(C[6a]C[6a]2)(NCuC)(CCH)	C(NCuC)(CH3)(CCH)	C(CC[6a]N)(CCN)(H)	C(C[6a]C[6a]2)(NCuC)(CCH)	C(NCuC)(CH3)(CCH)	128.0775	0.357	2	128.0775	0.128	2	125.5254	7.470	11	127.1206	8.783	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:O-3:C-3:	N-3:C-4:C-3:	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(OCr2)(CCH)	C(NC[6a]Cr)(CH3)(CCH)	C(CC[6a]O)(CCN)(H)	C(C[6a]C[6a]2)(OCr2)(CCH)	C(NC[6a]Cr)(CH3)(CCH)	129.7930	0.000	1	129.7930	0.000	1	129.7930	0.000	1	127.1206	8.783	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-3:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Al)(CCH)(CHH)	C(NC[6a]Al)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Al)(CCH)(CHH)	C(NC[6a]Al)(CH3)(CCH)	130.6203	0.181	3	130.6203	0.033	3	130.6203	0.033	3	127.1206	8.783	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	4:3:1:	C-3:C-3:H-1:	C-3:C-3:C-3:	C-4:C-3:O-1:	C(CCC)(CCO)(H)	C(CCC)(CCH)(COO)	C(CCHH)(CCH)(O)	C(CCC)(CCO)(H)	C(CCC)(CCH)(COO)	C(CCHH)(CCH)(O)	132.3630	0.000	1	132.3630	0.000	1	132.3630	0.000	1	127.4723	14.156	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	4:3:1:	C-3:C-3:H-1:	C-3:C-3:N-3:	C-4:C-3:O-1:	C(CCN)(CCO)(H)	C(CCH)(COO)(NCO)	C(CH3)(CCH)(O)	C(CCN)(CCO)(H)	C(CCH)(COO)(NCO)	C(CH3)(CCH)(O)	122.8270	0.000	1	122.8270	0.000	1	122.8270	0.000	1	127.4723	14.156	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	4:3:1:	C-3:C-3:H-1:	C-3:N-3:N-3:	C-4:C-3:O-1:	C(CCO)(CNN)(H)	C(CCH)(NCC)(NCH)	C(CH3)(CCH)(O)	C(CCO)(CNN)(H)	C(CCH)(NCC)(NCH)	C(CH3)(CCH)(O)	125.1350	0.000	1	125.1350	0.000	1	125.1350	0.000	1	127.4723	14.156	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	4:3:1:	C-3:C-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C-4:C-3:O-1:	C(CC[5a]C[6a])(CCO)(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCH)	C(CCHH)(CCH)(O)	C(CC[5a]C[6a])(CCO)(H)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CCH)	C(CCHH)(CCH)(O)	130.9960	0.000	1	130.9960	0.000	1	130.9960	0.000	1	127.4723	14.156	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	4:3:1:	C-3:C-3:H-1:	C[5a]-3:C[6a]-3:C-3:	C[3]-4:C-3:O-1:	C(CC[5a]C[6a])(CC[3]O)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	C(C[3]C[3]O[3]C)(CCH)(O)	C(CC[5a]C[6a])(CC[3]O)(H)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCH)	C(C[3]C[3]O[3]C)(CCH)(O)	131.0090	0.000	1	131.0090	0.000	1	131.0090	0.000	1	127.4723	14.156	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-4:C-3:H-1:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(CCN)	C(CCHH)(CCH)(H)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(CCN)	C(CCHH)(CCH)(H)	125.7970	0.000	1	125.7970	0.000	1	129.2920	24.430	2	127.4723	14.156	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-4:C-3:H-1:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)2	C(CCHH)(CCH)(H)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)2	C(CCHH)(CCH)(H)	132.7870	0.000	1	132.7870	0.000	1	129.2920	24.430	2	127.4723	14.156	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-4:C-3:O-1:	C(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(CCO)	C(CC3)(CCH)(O)	C(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(CCO)	C(CC3)(CCH)(O)	131.6070	0.000	1	131.6070	0.000	1	131.6070	0.000	1	127.4723	14.156	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C-4:C-3:O-1:	C(CC[6a]N)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(NHS)	C(CH3)(CCH)(O)	C(CC[6a]N)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(NHS)	C(CH3)(CCH)(O)	125.6970	0.000	1	125.6970	0.000	1	125.6970	0.000	1	127.4723	14.156	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C[3]-4:C-3:O-1:	C(CC[6a]N)(CC[3]O)(H)	C(C[6a]C[6a]2)(CCH)(NCC)	C(C[3]C[3]2H)(CCH)(O)	C(CC[6a]N)(CC[3]O)(H)	C(C[6a]C[6a]2)(CCH)(NCC)	C(C[3]C[3]2H)(CCH)(O)	126.9480	0.000	1	126.9480	0.000	1	126.9480	0.000	1	127.4723	14.156	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-3:N-3:	C[5]-4:C-3:O-1:	C(CC[6a]N)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C(C[5]C[5]2Fe)(CCH)(O)	C(CC[6a]N)(CC[5]O)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C(C[5]C[5]2Fe)(CCH)(O)	123.8180	0.000	1	123.8180	0.000	1	123.8180	0.000	1	127.4723	14.156	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-4:C-3:O-1:	C(CC[6a]N)(CCO)(H)	C(C[6a]C[6a]2)(NC[6]C)(CCH)	C(CCl2H)(CCH)(O)	C(CC[6a]N)(CCO)(H)	C(C[6a]C[6a]2)(NC[6]C)(CCH)	C(CCl2H)(CCH)(O)	125.8120	0.000	1	125.8120	0.000	1	124.0780	6.014	2	127.4723	14.156	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C-4:C-3:O-1:	C(CC[6a]N)(CCO)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C(CF3)(CCH)(O)	C(CC[6a]N)(CCO)(H)	C(C[6a]C[6a]2)(NC[6a]H)(CCH)	C(CF3)(CCH)(O)	122.3440	0.000	1	122.3440	0.000	1	124.0780	6.014	2	127.4723	14.156	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	4:3:2:	C-3:C-3:H-1:	C[6]-3:O-3:C-3:	C-4:C-3:O-2:	C(CC[6]O)(CCO)(H)	C(C[6]C[6]N[6])(OCuEr)(CCH)	C(CH3)(CCH)(OCu)	C(CC[6]O)(CCO)(H)	C(C[6]C[6]N[6])(OCuEr)(CCH)	C(CH3)(CCH)(OCu)	126.6043	0.603	4	126.6043	0.364	4	127.0350	0.502	11	127.0773	0.478	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	4:3:2:	C-3:C-3:H-1:	C[6]-3:O-3:C-3:	C-4:C-3:O-2:	C(CC[6]O)(CCO)(H)	C(C[6]C[6]N[6])(OEuNi)(CCH)	C(CH3)(CCH)(ONi)	C(CC[6]O)(CCO)(H)	C(C[6]C[6]N[6])(OEuNi)(CCH)	C(CH3)(CCH)(ONi)	127.4725	0.486	4	127.4725	0.237	4	127.0350	0.502	11	127.0773	0.478	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	4:3:2:	C-3:C-3:H-1:	C[6]-3:O-3:C-3:	C-4:C-3:O-2:	C(CC[6]O)(CCO)(H)	C(C[6]C[6]N[6])(ONiSm)(CCH)	C(CH3)(CCH)(ONi)	C(CC[6]O)(CCO)(H)	C(C[6]C[6]N[6])(ONiSm)(CCH)	C(CH3)(CCH)(ONi)	127.0260	0.925	3	127.0260	0.856	3	127.0350	0.502	11	127.0773	0.478	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	4:3:2:	C-3:C-3:H-1:	C[6a]-3:N-3:C-3:	C[5]-4:C-3:O-2:	C(CC[6a]N)(CC[5]O)(H)	C(C[6a]C[6a]2)(NPdC)(CCH)	C(C[5]C[5]2Fe)(CCH)(OPd)	C(CC[6a]N)(CC[5]O)(H)	C(C[6a]C[6a]2)(NPdC)(CCH)	C(C[5]C[5]2Fe)(CCH)(OPd)	127.5430	0.000	1	127.5430	0.000	1	127.5430	0.000	1	127.0773	0.478	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	4:3:3:	C-3:C-3:H-1:	C[5a]-3:C-3:C-3:	C-4:C-3:C-3:	C(CC[5a]C)(CCC)(H)	C(C[5a]C[5a]O[5a])(CCH)(CCO)	C(CH3)(CCH)2	C(CC[5a]C)(CCC)(H)	C(C[5a]C[5a]O[5a])(CCH)(CCO)	C(CH3)(CCH)2	134.2070	0.000	1	134.2070	0.000	1	134.2070	0.000	1	127.8603	39.249	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	4:3:3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-4:C-3:C-3:	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(CHH)	C(CCHH)(CCH)(CHO)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(CHH)	C(CCHH)(CCH)(CHO)	130.6390	0.000	1	130.6390	0.000	1	129.8597	4.560	3	127.8603	39.249	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	4:3:3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-4:C-3:C-3:	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(CHH)	C(CCHH)(CCH)(COO)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CCH)(CHH)	C(CCHH)(CCH)(COO)	127.4440	0.000	1	127.4440	0.000	1	129.8597	4.560	3	127.8603	39.249	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	4:3:3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-4:C-3:C-3:	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CCH)2	C(CCHH)(CCH)2	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CCH)2	C(CCHH)(CCH)2	131.4960	0.000	1	131.4960	0.000	1	129.8597	4.560	3	127.8603	39.249	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	4:3:3:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(CC[6a]2)(CCC)(H)	C(C[6a]C[6a]2)2(CCH)	C(CHHN)(CCC)(CCH)	C(CC[6a]2)(CCC)(H)	C(C[6a]C[6a]2)2(CCH)	C(CHHN)(CCC)(CCH)	131.8730	0.000	1	131.8730	0.000	1	131.8730	0.000	1	127.8603	39.249	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	4:3:3:	C-3:C-3:O-1:	C[6]-3:C-3:C-3:	C-4:C-3:C-3:	C(CC[6]C)(CCC)(O)	C(C[6]C[6]N[6])(CCO)2	C(CC3)(CCH)(CCO)	C(CC[6]C)(CCC)(O)	C(C[6]C[6]N[6])(CCO)2	C(CC3)(CCH)(CCO)	116.2020	0.000	1	116.2020	0.000	1	116.2020	0.000	1	127.8603	39.249	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	4:3:3:	C-3:C-3:O-1:	C[6a]-3:C-3:C-3:	C-4:C-3:C-3:	C(CC[6a]C)(CCC)(O)	C(C[6a]C[6a]2)(CCH)(CCO)	C(CC[6a]CH)(CCO)(CHN)	C(CC[6a]C)(CCC)(O)	C(C[6a]C[6a]2)(CCH)(CCO)	C(CC[6a]CH)(CCO)(CHN)	123.1610	0.000	1	123.1610	0.000	1	123.1610	0.000	1	127.8603	39.249	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	4:4:3:	C-3:C-3:F-1:	C-3:C-3:N-3:	C-4:C-4:C-3:	C(CCC)(CCN)(F)	C(CCF)(CHS)(NCH)	C(CH3)2(CCF)	C(CCC)(CCN)(F)	C(CCF)(CHS)(NCH)	C(CH3)2(CCF)	130.1270	0.000	1	130.1270	0.000	1	130.1270	0.000	1	127.9240	9.706	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:3:	4:4:3:	C-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C-4:C-4:C-3:	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CCH)2	C(CCHH)2(CCH)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CCH)2	C(CCHH)2(CCH)	125.7210	0.000	1	125.7210	0.000	1	125.7210	0.000	1	127.9240	9.706	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:4:	3:3:4:	C-3:C-3:Cl-1:	C-3:N-3:C-4:	C-3:N-3:C-4:	C(CCN)2(Cl)	C(CClC)(NCuC)(CH3)	C(CClC)(NCuC)(CH3)	C(CCN)2(Cl)	C(CClC)(NCuC)(CH3)	C(CClC)(NCuC)(CH3)	128.7540	0.000	1	128.7540	0.000	1	129.8812	1.026	4	128.4864	3.909	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:4:	3:3:4:	C-3:C-3:Cl-1:	C-3:N-3:C-4:	C-3:N-3:C-4:	C(CCN)2(Cl)	C(CClC)(NMgC)(CH3)	C(CClC)(NMgC)(CH3)	C(CCN)2(Cl)	C(CClC)(NMgC)(CH3)	C(CClC)(NMgC)(CH3)	130.2570	0.832	3	130.2570	0.692	3	129.8812	1.026	4	128.4864	3.909	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:4:	3:3:4:	C-3:C-3:Cl-1:	N-3:C-3:C-4:	N-3:C-3:C-4:	C(CCN)2(Cl)	C(NC[6a]Cu)(CClC)(CH3)	C(NC[6a]Cu)(CClC)(CH3)	C(CCN)2(Cl)	C(NC[6a]Cu)(CClC)(CH3)	C(NC[6a]Cu)(CClC)(CH3)	128.4277	0.693	3	128.4277	0.480	3	127.3706	3.547	5	128.4864	3.909	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:4:	3:3:4:	C-3:C-3:Cl-1:	N-3:C-3:C-4:	N-3:C-3:C-4:	C(CCN)2(Cl)	C(NC[6a]Pd)(CClC)(CH3)	C(NC[6a]Pd)(CClC)(CH3)	C(CCN)2(Cl)	C(NC[6a]Pd)(CClC)(CH3)	C(NC[6a]Pd)(CClC)(CH3)	125.7850	2.202	2	125.7850	4.848	2	127.3706	3.547	5	128.4864	3.909	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:4:	3:4:1:	C-3:C-3:Br-1:	N-3:C-3:C-4:	C-3:C-4:O-1:	C(CCN)(CCO)(Br)	C(NC[6]H)(CBrC)(CH3)	C(CBrC)(CH3)(O)	C(CCN)(CCO)(Br)	C(NC[6]H)(CBrC)(CH3)	C(CBrC)(CH3)(O)	124.4145	0.990	4	124.4145	0.979	4	124.4145	0.979	4	124.4145	0.979	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:3:4:	4:3:1:	C-3:C-3:Br-1:	C[6a]-3:C-3:C-4:	C-4:C-3:O-1:	C(CC[6a]C)(CCO)(Br)	C(C[6a]C[6a]2)(CBrC)(CH3)	C(CCHH)(CBrC)(O)	C(CC[6a]C)(CCO)(Br)	C(C[6a]C[6a]2)(CBrC)(CH3)	C(CCHH)(CBrC)(O)	127.9325	0.800	2	127.9325	0.640	2	127.9325	0.640	2	127.9325	0.640	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:2:	3:2:1:	C-3:C-3:Cl-1:	C-3:C-4:N-2:	C-3:O-2:O-1:	C(CCN)(COO)(Cl)	C(CClC)(CH3)(NN)	C(CClC)(OC)(O)	C(CCN)(COO)(Cl)	C(CClC)(CH3)(NN)	C(CClC)(OC)(O)	126.2480	0.000	1	126.2480	0.000	1	126.2480	0.000	1	126.2480	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:2:	3:3:2:	C-3:C-3:Cl-1:	C-3:C-4:O-2:	C-3:C-3:O-2:	C(CCO)2(Cl)	C(CClC)(CH3)(ONi)	C(CClC)(CHH)(ONi)	C(CCO)2(Cl)	C(CClC)(CH3)(ONi)	C(CClC)(CHH)(ONi)	126.6420	0.000	1	126.6420	0.000	1	126.6420	0.000	1	126.6420	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:2:	3:4:2:	C-3:C-3:Cl-1:	C-3:C-4:O-2:	C-3:C-4:O-2:	C(CCO)2(Cl)	C(CClC)(CH3)(OAl)	C(CClC)(CH3)(OAl)	C(CCO)2(Cl)	C(CClC)(CH3)(OAl)	C(CClC)(CH3)(OAl)	124.1835	0.299	2	124.1835	0.089	2	124.5100	0.246	4	124.5100	0.246	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:2:	3:4:2:	C-3:C-3:Cl-1:	C-3:C-4:O-2:	C-3:C-4:O-2:	C(CCO)2(Cl)	C(CClC)(CH3)(OFe)	C(CClC)(CH3)(OFe)	C(CCO)2(Cl)	C(CClC)(CH3)(OFe)	C(CClC)(CH3)(OFe)	124.8365	0.472	2	124.8365	0.222	2	124.5100	0.246	4	124.5100	0.246	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	2:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-2:C-4:C-3:	C(CCN)2(H)	C(NC[5a]H)(CH3)(CCH)	C(NN[5a])(CH3)(CCH)	C(CCN)2(H)	C(NC[5a]H)(CH3)(CCH)	C(NN[5a])(CH3)(CCH)	131.0170	0.000	1	131.0170	0.000	1	129.0499	13.044	17	129.0499	13.044	17	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	2:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-2:C-4:C-3:	C(CCN)2(H)	C(NC[6a]B)(CC3)(CCH)	C(NC[6a])(CC3)(CCH)	C(CCN)2(H)	C(NC[6a]B)(CC3)(CCH)	C(NC[6a])(CC3)(CCH)	136.0680	0.000	1	136.0680	0.000	1	129.0499	13.044	17	129.0499	13.044	17	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	2:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-2:C-4:C-3:	C(CCN)2(H)	C(NC[6a]B)(CH3)(CCH)	C(NC[6a])(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]B)(CH3)(CCH)	C(NC[6a])(CH3)(CCH)	127.9020	0.000	2	127.9020	0.000	2	129.0499	13.044	17	129.0499	13.044	17	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	2:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-2:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Co)(CC3)(CCH)	C(NC[6])(CC3)(CCH)	C(CCN)2(H)	C(NC[6a]Co)(CC3)(CCH)	C(NC[6])(CC3)(CCH)	139.6450	0.000	1	139.6450	0.000	1	129.0499	13.044	17	129.0499	13.044	17	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	2:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-2:C-4:C-3:	C(CCN)2(H)	C(NC[6a]H)(CF3)(CCH)	C(NC[6a])(CF3)(CCH)	C(CCN)2(H)	C(NC[6a]H)(CF3)(CCH)	C(NC[6a])(CF3)(CCH)	124.8250	0.000	1	124.8250	0.000	1	129.0499	13.044	17	129.0499	13.044	17	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	2:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-2:C-4:C-3:	C(CCN)2(H)	C(NC[6a]H)(CH3)(CCH)	C(NC[6a])(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]H)(CH3)(CCH)	C(NC[6a])(CH3)(CCH)	127.4778	0.846	6	127.4778	0.716	6	129.0499	13.044	17	129.0499	13.044	17	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	2:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-2:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Nb)(CH3)(CCH)	C(NC[6a])(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Nb)(CH3)(CCH)	C(NC[6a])(CH3)(CCH)	128.3260	0.000	1	128.3260	0.000	1	129.0499	13.044	17	129.0499	13.044	17	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	2:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-2:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Pb)(CH3)(CCH)	C(NC[6a])(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Pb)(CH3)(CCH)	C(NC[6a])(CH3)(CCH)	128.7790	0.000	1	128.7790	0.000	1	129.0499	13.044	17	129.0499	13.044	17	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	2:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-2:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Si)(CH3)(CCH)	C(NC[6a])(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Si)(CH3)(CCH)	C(NC[6a])(CH3)(CCH)	128.7680	0.000	1	128.7680	0.000	1	129.0499	13.044	17	129.0499	13.044	17	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	2:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-2:C-4:C-3:	C(CCN)2(H)	C(NNb[3,3]C[6a])(CH3)(CCH)	C(NC[6a])(CH3)(CCH)	C(CCN)2(H)	C(NNb[3,3]C[6a])(CH3)(CCH)	C(NC[6a])(CH3)(CCH)	128.5770	0.000	1	128.5770	0.000	1	129.0499	13.044	17	129.0499	13.044	17	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	2:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-2:C-4:C-3:	C(CCN)2(H)	C(NNb[5x3]C[6a])(CH3)(CCH)	C(NC[6a])(CH3)(CCH)	C(CCN)2(H)	C(NNb[5x3]C[6a])(CH3)(CCH)	C(NC[6a])(CH3)(CCH)	127.1720	0.000	1	127.1720	0.000	1	129.0499	13.044	17	129.0499	13.044	17	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:1:1:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:H-1:H-1:	C(CCC)(CHH)(H)	C(CC[6a]C)(CH3)(CCH)	C(CCH)(H)2	C(CCC)(CHH)(H)	C(CC[6a]C)(CH3)(CCH)	C(CCH)(H)2	125.8780	0.000	1	125.8780	0.000	1	125.9860	0.023	2	125.9860	0.023	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:1:1:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:H-1:H-1:	C(CCC)(CHH)(H)	C(CN[5]O)(CH3)(CCH)	C(CCH)(H)2	C(CCC)(CHH)(H)	C(CN[5]O)(CH3)(CCH)	C(CCH)(H)2	126.0940	0.000	1	126.0940	0.000	1	125.9860	0.023	2	125.9860	0.023	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:2:1:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:O-2:Cl-1:	C(CClO)(CCC)(H)	C(CC[5a]H)(CH3)(CCH)	C(CCH)(OC)(Cl)	C(CClO)(CCC)(H)	C(CC[5a]H)(CH3)(CCH)	C(CCH)(OC)(Cl)	132.2400	0.000	1	132.2400	0.000	1	132.2400	0.000	1	125.4098	5.324	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:2:1:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:O-2:O-1:	C(CCC)(COO)(H)	C(CC[6a]O)(CH3)(CCH)	C(CCH)(OC)(O)	C(CCC)(COO)(H)	C(CC[6a]O)(CH3)(CCH)	C(CCH)(OC)(O)	126.0200	0.000	1	126.0200	0.000	1	126.0200	0.000	1	125.4098	5.324	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:2:1:	C-3:C-3:H-1:	C[5a]-3:C-4:C-3:	C-3:N-2:H-1:	C(CC[5a]C)(CHN)(H)	C(C[5a]C[5a]2)(CH3)(CCH)	C(CCH)(NN)(H)	C(CC[5a]C)(CHN)(H)	C(C[5a]C[5a]2)(CH3)(CCH)	C(CCH)(NN)(H)	125.4500	0.000	1	125.4500	0.000	1	125.4500	0.000	1	125.4098	5.324	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:2:1:	C-3:C-3:H-1:	C[5a]-3:C-4:C-3:	C-3:O-2:O-1:	C(CC[5a]C)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CH3)(CCH)	C(CCH)(OC)(O)	C(CC[5a]C)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CH3)(CCH)	C(CCH)(OC)(O)	125.3120	0.000	1	125.3120	0.000	1	125.3120	0.000	1	125.4098	5.324	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:O-2:O-1:	C(CC[6a]C)(COO)(H)	C(C[6a]C[5,6a]C[6a])(CCHH)(CCH)	C(CCH)(OH)(O)	C(CC[6a]C)(COO)(H)	C(C[6a]C[5,6a]C[6a])(CCHH)(CCH)	C(CCH)(OH)(O)	127.5230	0.000	1	127.5230	0.000	1	126.2963	1.986	3	125.4098	5.324	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:O-2:O-1:	C(CC[6a]C)(COO)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	C(CCH)(OH)(O)	C(CC[6a]C)(COO)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	C(CCH)(OH)(O)	126.6090	0.000	1	126.6090	0.000	1	126.2963	1.986	3	125.4098	5.324	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:O-2:O-1:	C(CC[6a]C)(COO)(H)	C(C[6a]C[6a]2)(CF3)(CCH)	C(CCH)(OH)(O)	C(CC[6a]C)(COO)(H)	C(C[6a]C[6a]2)(CF3)(CCH)	C(CCH)(OH)(O)	124.7570	0.000	1	124.7570	0.000	1	126.2963	1.986	3	125.4098	5.324	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:2:1:	C-3:C-3:H-1:	C[6a]-3:P-4:C-3:	C-3:O-2:O-1:	C(CC[6a]P)(COO)(H)	C(C[6a]C[6a]2)(PC[6a]2N)(CCH)	C(CCH)(OC)(O)	C(CC[6a]P)(COO)(H)	C(C[6a]C[6a]2)(PC[6a]2N)(CCH)	C(CCH)(OC)(O)	126.5160	0.000	1	126.5160	0.000	1	126.5160	0.000	1	125.4098	5.324	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:2:1:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:O-2:O-1:	C(CCN)(COO)(H)	C(NC[5a]H)(CH3)(CCH)	C(CCH)(OC)(O)	C(CCN)(COO)(H)	C(NC[5a]H)(CH3)(CCH)	C(CCH)(OC)(O)	123.0680	0.223	2	123.0680	0.050	2	123.7478	0.398	6	125.4098	5.324	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:2:1:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:O-2:O-1:	C(CCN)(COO)(H)	C(NC[6a]H)(CH3)(CCH)	C(CCH)(OC)(O)	C(CCN)(COO)(H)	C(NC[6a]H)(CH3)(CCH)	C(CCH)(OC)(O)	123.9120	0.302	3	123.9120	0.091	3	123.7478	0.398	6	125.4098	5.324	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:2:1:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:O-2:O-1:	C(CCN)(COO)(H)	C(NN[5a]H)(CH3)(CCH)	C(CCH)(OC)(O)	C(CCN)(COO)(H)	C(NN[5a]H)(CH3)(CCH)	C(CCH)(OC)(O)	124.6150	0.000	1	124.6150	0.000	1	123.7478	0.398	6	125.4098	5.324	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:2:1:	C-3:C-3:H-1:	N[5]-3:C-4:C-3:	C-3:O-2:O-1:	C(CN[5]C)(COO)(H)	C(N[5]C[5]2)(CH3)(CCH)	C(CCH)(OC)(O)	C(CN[5]C)(COO)(H)	C(N[5]C[5]2)(CH3)(CCH)	C(CCH)(OC)(O)	124.2330	0.000	1	124.2330	0.000	1	124.2330	0.000	1	125.4098	5.324	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:2:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:O-2:O-2:	C(CCN)(COO)(H)	C(NNiC)(CH3)(CCH)	C(CCH)(ONi)(OC)	C(CCN)(COO)(H)	C(NNiC)(CH3)(CCH)	C(CCH)(ONi)(OC)	124.4380	0.154	2	124.4380	0.024	2	125.9802	1.467	6	124.8803	1.668	25	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:2:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:O-2:O-2:	C(CCN)(COO)(H)	C(NZnC)(CH3)(CCH)	C(CCH)(OZn)(OC)	C(CCN)(COO)(H)	C(NZnC)(CH3)(CCH)	C(CCH)(OZn)(OC)	126.7512	0.242	4	126.7512	0.058	4	125.9802	1.467	6	124.8803	1.668	25	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:2:2:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-3:O-2:O-2:	C(CCO)(COO)(H)	C(OCo2)(CH3)(CCH)	C(CCH)(OCo)(OC)	C(CCO)(COO)(H)	C(OCo2)(CH3)(CCH)	C(CCH)(OCo)(OC)	125.1407	0.758	3	125.1407	0.575	3	124.5329	1.286	19	124.8803	1.668	25	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:2:2:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-3:O-2:O-2:	C(CCO)(COO)(H)	C(OCoLi)(CH3)(CCH)	C(CCH)(OCo)(OC)	C(CCO)(COO)(H)	C(OCoLi)(CH3)(CCH)	C(CCH)(OCo)(OC)	124.1630	0.000	1	124.1630	0.000	1	124.5329	1.286	19	124.8803	1.668	25	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:2:2:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-3:O-2:O-2:	C(CCO)(COO)(H)	C(OFeLi)(CH3)(CCH)	C(CCH)(OFe)(OC)	C(CCO)(COO)(H)	C(OFeLi)(CH3)(CCH)	C(CCH)(OFe)(OC)	123.4680	0.096	2	123.4680	0.009	2	124.5329	1.286	19	124.8803	1.668	25	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:2:2:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-3:O-2:O-2:	C(CCO)(COO)(H)	C(OLiMg)(CH3)(CCH)	C(CCH)(OMg)(OC)	C(CCO)(COO)(H)	C(OLiMg)(CH3)(CCH)	C(CCH)(OMg)(OC)	123.1850	0.083	2	123.1850	0.007	2	124.5329	1.286	19	124.8803	1.668	25	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:2:2:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-3:O-2:O-2:	C(CCO)(COO)(H)	C(OLiNi)(CH3)(CCH)	C(CCH)(ONi)(OC)	C(CCO)(COO)(H)	C(OLiNi)(CH3)(CCH)	C(CCH)(ONi)(OC)	123.7705	0.074	2	123.7705	0.006	2	124.5329	1.286	19	124.8803	1.668	25	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:2:2:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-3:O-2:O-2:	C(CCO)(COO)(H)	C(OMg2)(CH3)(CCH)	C(CCH)(OMg)(OC)	C(CCO)(COO)(H)	C(OMg2)(CH3)(CCH)	C(CCH)(OMg)(OC)	123.9537	0.755	3	123.9537	0.571	3	124.5329	1.286	19	124.8803	1.668	25	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:2:2:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-3:O-2:O-2:	C(CCO)(COO)(H)	C(ONi2)(CH3)(CCH)	C(CCH)(ONi)(OC)	C(CCO)(COO)(H)	C(ONi2)(CH3)(CCH)	C(CCH)(ONi)(OC)	126.2983	0.623	3	126.2983	0.388	3	124.5329	1.286	19	124.8803	1.668	25	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:2:2:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-3:O-2:O-2:	C(CCO)(COO)(H)	C(OZn2)(CH3)(CCH)	C(CCH)(OZn)(OC)	C(CCO)(COO)(H)	C(OZn2)(CH3)(CCH)	C(CCH)(OZn)(OC)	124.9793	0.631	3	124.9793	0.398	3	124.5329	1.286	19	124.8803	1.668	25	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	B[5]-3:C-4:C-3:	C-3:C-3:H-1:	C(CB[5]C)(CCH)(H)	C(B[5]O[5]2)(CH3)(CCH)	C(CC[6]H)(CCH)(H)	C(CB[5]C)(CCH)(H)	C(B[5]O[5]2)(CH3)(CCH)	C(CC[6]H)(CCH)(H)	127.7330	0.000	1	127.7330	0.000	1	127.7330	0.000	1	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CC[5]H)(CCCH)(CCH)	C(CC[5]C)(CCH)(H)	C(CCC)(CCH)(H)	C(CC[5]H)(CCCH)(CCH)	C(CC[5]C)(CCH)(H)	130.5490	0.000	1	130.5490	0.000	1	129.6148	6.728	12	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CC[5]H)(CCCH)(CCH)	C(CC[5]H)(CCH)(H)	C(CCC)(CCH)(H)	C(CC[5]H)(CCCH)(CCH)	C(CC[5]H)(CCH)(H)	130.9734	0.437	8	130.9734	0.191	8	129.6148	6.728	12	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CC[5a]H)(CCHH)(CCH)	C(CCH)2(H)	C(CCC)(CCH)(H)	C(CC[5a]H)(CCHH)(CCH)	C(CCH)2(H)	123.0640	0.000	1	123.0640	0.000	1	129.6148	6.728	12	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CC[6]H)(CCCH)(CCH)	C(CC[6]C)(CCH)(H)	C(CCC)(CCH)(H)	C(CC[6]H)(CCCH)(CCH)	C(CC[6]C)(CCH)(H)	127.3960	0.000	1	127.3960	0.000	1	129.6148	6.728	12	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CC[6a]H)(CCHH)(CCH)	C(CCH)(COO)(H)	C(CCC)(CCH)(H)	C(CC[6a]H)(CCHH)(CCH)	C(CCH)(COO)(H)	126.5820	0.000	1	126.5820	0.000	1	129.6148	6.728	12	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[4]-3:C-4:C-3:	C-3:C-3:H-1:	C(CC[4]C)(CCH)(H)	C(C[4]C[4,5]C[4,6])(CHHO)(CCH)	C(CCH)2(H)	C(CC[4]C)(CCH)(H)	C(C[4]C[4,5]C[4,6])(CHHO)(CCH)	C(CCH)2(H)	127.2070	0.000	1	127.2070	0.000	1	126.7085	0.497	2	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[4]-3:C-4:C-3:	C-3:C-3:H-1:	C(CC[4]C)(CCH)(H)	C(C[4]C[4,5]C[4])(CHHO)(CCH)	C(CCH)2(H)	C(CC[4]C)(CCH)(H)	C(C[4]C[4,5]C[4])(CHHO)(CCH)	C(CCH)2(H)	126.2100	0.000	1	126.2100	0.000	1	126.7085	0.497	2	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-4:C-3:	C-3:C-3:H-1:	C(CC[5]C)(CCH)(H)	C(C[5]C[5,5,6]N[5])(CCCH)(CCH)	C(CC[5,6]H)(CCH)(H)	C(CC[5]C)(CCH)(H)	C(C[5]C[5,5,6]N[5])(CCCH)(CCH)	C(CC[5,6]H)(CCH)(H)	131.9180	0.000	1	131.9180	0.000	1	128.6174	14.019	7	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-4:C-3:	C-3:C-3:H-1:	C(CC[5]C)(CCH)(H)	C(C[5]C[5,6a]C[5])(CCHH)(CCH)	C(CCH)2(H)	C(CC[5]C)(CCH)(H)	C(C[5]C[5,6a]C[5])(CCHH)(CCH)	C(CCH)2(H)	122.6620	0.000	1	122.6620	0.000	1	128.6174	14.019	7	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-4:C-3:	C-3:C-3:H-1:	C(CC[5]C)(CCH)(H)	C(C[5]C[5]2)(CCHH)(CCH)	C(CCH)2(H)	C(CC[5]C)(CCH)(H)	C(C[5]C[5]2)(CCHH)(CCH)	C(CCH)2(H)	132.2990	0.000	1	132.2990	0.000	1	128.6174	14.019	7	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-4:C-3:	C-3:C-3:H-1:	C(CC[5]C)(CCH)(H)	C(C[5]C[5]2)(CH3)(CCH)	C(CCC)(CCH)(H)	C(CC[5]C)(CCH)(H)	C(C[5]C[5]2)(CH3)(CCH)	C(CCC)(CCH)(H)	131.9220	0.000	1	131.9220	0.000	1	128.6174	14.019	7	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-4:C-3:	C-3:C-3:H-1:	C(CC[5]C)(CCH)(H)	C(C[5]C[5]2)(CH3)(CCH)	C(CCH)2(H)	C(CC[5]C)(CCH)(H)	C(C[5]C[5]2)(CH3)(CCH)	C(CCH)2(H)	129.1770	0.000	1	129.1770	0.000	1	128.6174	14.019	7	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-4:C-3:	C-3:C-3:H-1:	C(CC[5]C)(CCH)(H)	C(C[5]N[5]2)(CH3)(CCH)	C(CCH)2(H)	C(CC[5]C)(CCH)(H)	C(C[5]N[5]2)(CH3)(CCH)	C(CCH)2(H)	126.1720	1.004	2	126.1720	1.008	2	128.6174	14.019	7	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-4:C-3:	C-3:C-3:O-1:	C(CC[5]C)(CCO)(H)	C(C[5]C[5,5]C[5,6])(CH3)(CCH)	C(CC[6]H)(CCH)(O)	C(CC[5]C)(CCO)(H)	C(C[5]C[5,5]C[5,6])(CH3)(CCH)	C(CC[6]H)(CCH)(O)	131.7397	0.514	3	131.7397	0.264	3	132.2725	0.562	8	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[5]-3:C-4:C-3:	C-3:C-3:O-1:	C(CC[5]C)(CCO)(H)	C(C[5]C[5,6]C[5])(CH3)(CCH)	C(CC[6]H)(CCH)(O)	C(CC[5]C)(CCO)(H)	C(C[5]C[5,6]C[5])(CH3)(CCH)	C(CC[6]H)(CCH)(O)	132.5922	0.715	5	132.5922	0.512	5	132.2725	0.562	8	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-4:C-3:	C-3:C-3:H-1:	C(CC[5a]C)(CCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHH)(CCH)	C(CCH)2(H)	C(CC[5a]C)(CCH)(H)	C(C[5a]C[5a,6a]C[5a])(CCHH)(CCH)	C(CCH)2(H)	124.6120	0.000	1	124.6120	0.000	1	124.6120	0.000	1	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-4:C-3:	C-3:N-3:O-1:	C(CC[5a]C)(CNO)(H)	C(C[5a]C[5a]N[5a])(CH3)(CCH)	C(CCH)(NCC)(O)	C(CC[5a]C)(CNO)(H)	C(C[5a]C[5a]N[5a])(CH3)(CCH)	C(CCH)(NCC)(O)	128.9310	0.000	1	128.9310	0.000	1	128.9310	0.000	1	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-4:C-3:	C[6a]-3:C-3:O-1:	C(CC[5a]C)(CC[6a]O)(H)	C(C[5a]C[5a,6a]C[5a])(CF3)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[5a]C)(CC[6a]O)(H)	C(C[5a]C[5a,6a]C[5a])(CF3)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	125.0800	0.000	1	125.0800	0.000	1	124.9875	0.017	2	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-4:C-3:	C[6a]-3:C-3:O-1:	C(CC[5a]C)(CC[6a]O)(H)	C(C[5a]C[5a]S[5a])(CF3)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[5a]C)(CC[6a]O)(H)	C(C[5a]C[5a]S[5a])(CF3)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	124.8950	0.000	1	124.8950	0.000	1	124.9875	0.017	2	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[5a]-3:C-4:C-3:	N[6]-3:C-3:O-1:	C(CC[5a]C)(CN[6]O)(H)	C(C[5a]C[5a]O[5a])(CH3)(CCH)	C(N[6]C[6]2)(CCH)(O)	C(CC[5a]C)(CN[6]O)(H)	C(C[5a]C[5a]O[5a])(CH3)(CCH)	C(N[6]C[6]2)(CCH)(O)	124.4100	0.000	1	124.4100	0.000	1	124.4100	0.000	1	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[6]-3:C-4:C-3:	C-3:C-3:H-1:	C(CC[6]C)(CCH)(H)	C(C[6]C[6]2)(CH3)(CCH)	C(CCC)(CCH)(H)	C(CC[6]C)(CCH)(H)	C(C[6]C[6]2)(CH3)(CCH)	C(CCC)(CCH)(H)	130.4600	0.000	1	130.4600	0.000	1	130.4600	0.000	1	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:C-3:Br-1:	C(CC[6a]C)(CBrC)(H)	C(C[6a]C[6a]2)(CBrHH)(CCH)	C(CCH)(CHH)(Br)	C(CC[6a]C)(CBrC)(H)	C(C[6a]C[6a]2)(CBrHH)(CCH)	C(CCH)(CHH)(Br)	126.2170	0.000	1	126.2170	0.000	1	126.2170	0.000	1	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a,6a]C[6a])(CH3)(CCH)	C(CCH)2(H)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a,6a]C[6a])(CH3)(CCH)	C(CCH)2(H)	126.2145	0.363	2	126.2145	0.132	2	126.3570	1.399	9	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	C(CCH)2(H)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	C(CCH)2(H)	128.1100	0.000	1	128.1100	0.000	1	126.3570	1.399	9	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCHO)(CCH)	C(CCH)(CHH)(H)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCHO)(CCH)	C(CCH)(CHH)(H)	127.0280	0.000	1	127.0280	0.000	1	126.3570	1.399	9	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCH)	C(CC[6a]C)(CCH)(H)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]CH)(CCH)	C(CC[6a]C)(CCH)(H)	125.0480	0.000	1	125.0480	0.000	1	126.3570	1.399	9	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCH)	C(CCH)(CHH)(H)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]HO)(CCH)	C(CCH)(CHH)(H)	126.7405	1.073	2	126.7405	1.151	2	126.3570	1.399	9	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	C(CC[6a]C)(CCH)(H)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	C(CC[6a]C)(CCH)(H)	126.7960	0.000	1	126.7960	0.000	1	126.3570	1.399	9	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CHHO)(CCH)	C(CC[6a]C)(CCH)(H)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CHHO)(CCH)	C(CC[6a]C)(CCH)(H)	124.3210	0.000	1	124.3210	0.000	1	126.3570	1.399	9	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:C-3:O-1:	C(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CF3)(CCH)	C(CCH)(CCN)(O)	C(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CF3)(CCH)	C(CCH)(CCN)(O)	124.1310	0.000	1	124.1310	0.000	1	124.1310	0.000	1	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:N-3:O-1:	C(CC[6a]C)(CNO)(H)	C(C[6a]C[5a,6a]C[6a])(CH3)(CCH)	C(CCH)(NCC)(O)	C(CC[6a]C)(CNO)(H)	C(C[6a]C[5a,6a]C[6a])(CH3)(CCH)	C(CCH)(NCC)(O)	124.8530	0.000	1	124.8530	0.000	1	124.8765	0.091	4	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:N-3:O-1:	C(CC[6a]C)(CNO)(H)	C(C[6a]C[5a,6a]C[6a])(CH3)(CCH)	C(CCH)(NCH)(O)	C(CC[6a]C)(CNO)(H)	C(C[6a]C[5a,6a]C[6a])(CH3)(CCH)	C(CCH)(NCH)(O)	124.8843	0.370	3	124.8843	0.137	3	124.8765	0.091	4	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	123.6850	0.000	1	123.6850	0.000	1	126.8073	2.892	7	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CFSS)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CFSS)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	126.1310	0.000	2	126.1310	0.000	2	126.8073	2.892	7	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	128.0245	1.272	2	128.0245	1.618	2	126.8073	2.892	7	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHHS)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHHS)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	127.8275	0.166	2	127.8275	0.028	2	126.8073	2.892	7	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	N-3:C-3:O-1:	C(CC[6a]C)(CNO)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	C(NC[5a]S)(CCH)(O)	C(CC[6a]C)(CNO)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	C(NC[5a]S)(CCH)(O)	124.5270	0.000	1	124.5270	0.000	1	124.5270	0.000	1	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:S-4:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]O)(CC[6a]S)(H)	C(C[6a]C[6a,6a]C[6a])(SCOO)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]O)(CC[6a]S)(H)	C(C[6a]C[6a,6a]C[6a])(SCOO)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	124.8370	0.000	1	124.8370	0.000	1	124.8370	0.000	1	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:S-4:C-3:	N-3:C-3:O-1:	C(CC[6a]S)(CNO)(H)	C(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C(NC[6a]C)(CCH)(O)	C(CC[6a]S)(CNO)(H)	C(C[6a]C[6a]2)(SC[6a]OO)(CCH)	C(NC[6a]C)(CCH)(O)	122.3230	0.000	1	122.3230	0.000	1	122.3230	0.000	1	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	C[6a]-3:Si-4:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]Si)(CC[6a]O)(H)	C(C[6a]C[6a]2)(SiC3)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]Si)(CC[6a]O)(H)	C(C[6a]C[6a]2)(SiC3)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	125.9730	0.000	1	125.9730	0.000	1	125.9730	0.000	1	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(NC[6a]O)(CCHH)(CCH)	C(CCH)(CHO)(H)	C(CCH)(CCN)(H)	C(NC[6a]O)(CCHH)(CCH)	C(CCH)(CHO)(H)	125.3360	0.000	1	125.3360	0.000	1	125.3360	0.000	1	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	N[5]-3:C-4:C-3:	C-3:C-3:H-1:	C(CN[5]C)(CCH)(H)	C(N[5]C[5]2)(CPdCH)(CCH)	C(CCH)2(H)	C(CN[5]C)(CCH)(H)	C(N[5]C[5]2)(CPdCH)(CCH)	C(CCH)2(H)	127.5257	0.824	6	127.5257	0.678	6	127.5257	0.678	6	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	N[6]-3:C-4:C-3:	C-3:C-3:H-1:	C(CN[6]C)(CCH)(H)	C(N[6]C[6]2)(CPdCH)(CCH)	C(CCH)2(H)	C(CN[6]C)(CCH)(H)	C(N[6]C[6]2)(CPdCH)(CCH)	C(CCH)2(H)	127.4323	0.470	3	127.4323	0.221	3	127.4323	0.221	3	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:1:	C-3:C-3:H-1:	S-3:C[5]-4:C-3:	C-3:C-3:H-1:	C(CC[5]S)(CCH)(H)	C(SC[5x3,5x5,20x6]Co)(C[5]C[5]2Fe)(CCH)	C(CC[5]Co)(CCH)(H)	C(CC[5]S)(CCH)(H)	C(SC[5x3,5x5,20x6]Co)(C[5]C[5]2Fe)(CCH)	C(CC[5]Co)(CCH)(H)	130.5130	0.000	1	130.5130	0.000	1	130.5130	0.000	1	127.7958	8.203	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:2:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:C-3:O-2:	C(CCC)(CCO)(H)	C(CC[5x3,5x5,20x6]H)(CH3)(CCH)	C(CCH)2(OC)	C(CCC)(CCO)(H)	C(CC[5x3,5x5,20x6]H)(CH3)(CCH)	C(CCH)2(OC)	126.0100	0.000	1	126.0100	0.000	1	131.9715	15.810	4	127.7718	18.985	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:2:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-3:C-3:O-2:	C(CCC)(CCO)(H)	C(CC[6a]C)(CCHN)(CCH)	C(CCH)(CCO)(OH)	C(CCC)(CCO)(H)	C(CC[6a]C)(CCHN)(CCH)	C(CCH)(CCO)(OH)	133.9587	0.146	3	133.9587	0.021	3	131.9715	15.810	4	127.7718	18.985	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:2:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:C-3:O-2:	C(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	C(CCH)(CCS)(OH)	C(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	C(CCH)(CCS)(OH)	126.7940	0.000	1	126.7940	0.000	1	126.7940	0.000	1	127.7718	18.985	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:C-3:O-2:	C(CCN)(CCO)(H)	C(NC[6a]H)(CH3)(CCH)	C(CCH)2(ONi)	C(CCN)(CCO)(H)	C(NC[6a]H)(CH3)(CCH)	C(CCH)2(ONi)	126.6825	0.629	2	126.6825	0.395	2	126.6770	0.140	4	127.7718	18.985	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-3:C-3:O-2:	C(CCN)(CCO)(H)	C(NC[6a]Ni)(CH3)(CCH)	C(CCH)2(ONi)	C(CCN)(CCO)(H)	C(NC[6a]Ni)(CH3)(CCH)	C(CCH)2(ONi)	126.6715	0.153	2	126.6715	0.024	2	126.6770	0.140	4	127.7718	18.985	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:2:	C-3:C-3:O-1:	C-3:C-4:C-3:	C-3:C-3:O-2:	C(CCC)(CCO)(O)	C(CC[6a]H)(CH3)(CCO)	C(CC[6a]H)(CCO)(OC)	C(CCC)(CCO)(O)	C(CC[6a]H)(CH3)(CCO)	C(CC[6a]H)(CCO)(OC)	122.0510	0.498	2	122.0510	0.248	2	122.0510	0.248	2	127.7718	18.985	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]2)(CCC)(H)	C(CC[6a]C)(CHHN)(CCH)	C(C[6a]C[6a]2)2(CCH)	C(CC[6a]2)(CCC)(H)	C(CC[6a]C)(CHHN)(CCH)	C(C[6a]C[6a]2)2(CCH)	131.9720	0.000	1	131.9720	0.000	1	132.0525	0.013	2	129.4075	11.455	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]2)(CCC)(H)	C(CC[6a]H)(CHHN)(CCH)	C(C[6a]C[6a]2)2(CCH)	C(CC[6a]2)(CCC)(H)	C(CC[6a]H)(CHHN)(CCH)	C(C[6a]C[6a]2)2(CCH)	132.1330	0.000	1	132.1330	0.000	1	132.0525	0.013	2	129.4075	11.455	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:3:	C-3:C-3:H-1:	C[5]-3:C-4:C-3:	C-3:C-3:N-3:	C(CC[5]C)(CCN)(H)	C(C[5]C[5,6a]C[5])(CCHH)(CCH)	C(CCH)2(NCC)	C(CC[5]C)(CCN)(H)	C(C[5]C[5,6a]C[5])(CCHH)(CCH)	C(CCH)2(NCC)	124.9780	0.000	1	124.9780	0.000	1	124.9780	0.000	1	129.4075	11.455	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:3:3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	C(C[6a]C[6a]2)(CCH)2	C(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	C(C[6a]C[6a]2)(CCH)2	128.5470	0.000	1	128.5470	0.000	1	128.5470	0.000	1	129.4075	11.455	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:F-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(F)	C(NC[6a]Al)(CF3)(CCF)	C(NC[6a]Al)(CF3)(CCF)	C(CCN)2(F)	C(NC[6a]Al)(CF3)(CCF)	C(NC[6a]Al)(CF3)(CCF)	125.7990	0.000	1	125.7990	0.000	1	126.4382	4.805	15	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:F-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(F)	C(NC[6a]Cu)(CF3)(CCF)	C(NC[6a]Cu)(CF3)(CCF)	C(CCN)2(F)	C(NC[6a]Cu)(CF3)(CCF)	C(NC[6a]Cu)(CF3)(CCF)	130.5285	0.629	2	130.5285	0.395	2	126.4382	4.805	15	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:F-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(F)	C(NC[6a]Zn)(CF3)(CCF)	C(NC[6a]Zn)(CF3)(CCF)	C(CCN)2(F)	C(NC[6a]Zn)(CF3)(CCF)	C(NC[6a]Zn)(CF3)(CCF)	130.6720	0.000	1	130.6720	0.000	1	126.4382	4.805	15	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:F-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(F)	C(NCuH)(CF3)(CCF)	C(NCuH)(CF3)(CCF)	C(CCN)2(F)	C(NCuH)(CF3)(CCF)	C(NCuH)(CF3)(CCF)	125.3677	0.498	11	125.3677	0.248	11	126.4382	4.805	15	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	C-3:C-4:C-3:	N-3:C-4:C-3:	C(CCC)(CCN)(H)	C(CZrC)(CH3)(CCH)	C(NZrH)(CH3)(CCH)	C(CCC)(CCN)(H)	C(CZrC)(CH3)(CCH)	C(NZrH)(CH3)(CCH)	127.6680	0.000	1	127.6680	0.000	1	127.6680	0.000	1	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:C-4:C-3:	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	C(CC[6a]H)(CCCN)(CCH)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	C(CC[6a]H)(CCCN)(CCH)	134.0697	0.889	3	134.0697	0.791	3	131.8897	10.827	6	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:C-4:C-3:	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	C(CC[6a]H)(CCCO)(CCH)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	C(CC[6a]H)(CCCO)(CCH)	129.2915	4.795	2	129.2915	22.991	2	131.8897	10.827	6	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-3:C-4:C-3:	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	C(CC[6a]H)(CHHO)(CCH)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	C(CC[6a]H)(CHHO)(CCH)	130.5460	0.000	1	130.5460	0.000	1	131.8897	10.827	6	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C[6]-3:C-4:C-3:	C(CC[6a]C)(CC[6]C)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	C(C[6]C[6]2)(CHHN)(CCH)	C(CC[6a]C)(CC[6]C)(H)	C(C[6a]C[6a]2)(CH3)(CCH)	C(C[6]C[6]2)(CHHN)(CCH)	132.8900	0.000	1	132.8900	0.000	1	132.8900	0.000	1	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NAlC)(CH3)(CCH)	C(NAlC)(CH3)(CCH)	C(CCN)2(H)	C(NAlC)(CH3)(CCH)	C(NAlC)(CH3)(CCH)	130.3470	2.898	4	130.3470	8.401	4	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6]Ir)(CH3)(CCH)	C(NC[6]Ir)(CH3)(CCH)	C(CCN)2(H)	C(NC[6]Ir)(CH3)(CCH)	C(NC[6]Ir)(CH3)(CCH)	130.3510	0.000	1	130.3510	0.000	1	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6]Ti)(CH3)(CCH)	C(NC[6]Ti)(CH3)(CCH)	C(CCN)2(H)	C(NC[6]Ti)(CH3)(CCH)	C(NC[6]Ti)(CH3)(CCH)	127.6040	1.127	2	127.6040	1.270	2	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6]V)(CH3)(CCH)	C(NC[6]V)(CH3)(CCH)	C(CCN)2(H)	C(NC[6]V)(CH3)(CCH)	C(NC[6]V)(CH3)(CCH)	128.3052	0.312	10	128.3052	0.097	10	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6]Zr)(CH3)(CCH)	C(NC[6]Zr)(CH3)(CCH)	C(CCN)2(H)	C(NC[6]Zr)(CH3)(CCH)	C(NC[6]Zr)(CH3)(CCH)	129.2870	0.000	1	129.2870	0.000	1	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Al)(CBHH)(CCH)	C(NC[6a]Al)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Al)(CBHH)(CCH)	C(NC[6a]Al)(CH3)(CCH)	129.0600	0.000	1	129.0600	0.000	1	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Al)(CC3)(CCH)	C(NC[6a]Al)(CC3)(CCH)	C(CCN)2(H)	C(NC[6a]Al)(CC3)(CCH)	C(NC[6a]Al)(CC3)(CCH)	132.8640	0.800	3	132.8640	0.640	3	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Al)(CCHH)(CCH)	C(NC[6a]Al)(CCHH)(CCH)	C(CCN)2(H)	C(NC[6a]Al)(CCHH)(CCH)	C(NC[6a]Al)(CCHH)(CCH)	128.4177	0.685	3	128.4177	0.469	3	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Al)(CH3)(CCH)	C(NAlC)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Al)(CH3)(CCH)	C(NAlC)(CH3)(CCH)	126.9873	0.801	4	126.9873	0.642	4	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Al)(CH3)(CCH)	C(NC[6a]Al)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Al)(CH3)(CCH)	C(NC[6a]Al)(CH3)(CCH)	127.6015	0.768	111	127.6015	0.590	111	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Au)(CH3)(CCH)	C(NC[6a]Au)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Au)(CH3)(CCH)	C(NC[6a]Au)(CH3)(CCH)	129.8000	0.000	1	129.8000	0.000	1	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Be)(CH3)(CCH)	C(NC[6a]Be)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Be)(CH3)(CCH)	C(NC[6a]Be)(CH3)(CCH)	125.1230	0.355	9	125.1230	0.126	9	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Ca)(CH3)(CCH)	C(NC[6a]Ca)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Ca)(CH3)(CCH)	C(NC[6a]Ca)(CH3)(CCH)	130.6368	1.189	5	130.6368	1.413	5	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Ca)(CH3)(CCH)	C(NCaC)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Ca)(CH3)(CCH)	C(NCaC)(CH3)(CCH)	130.9630	0.000	1	130.9630	0.000	1	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Cd)(CH3)(CCH)	C(NC[6a]Cd)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Cd)(CH3)(CCH)	C(NC[6a]Cd)(CH3)(CCH)	130.6707	0.247	3	130.6707	0.061	3	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Co)(CC3)(CCH)	C(NC[6]Co)(CC3)(CCH)	C(CCN)2(H)	C(NC[6a]Co)(CC3)(CCH)	C(NC[6]Co)(CC3)(CCH)	129.0930	0.000	1	129.0930	0.000	1	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Co)(CC3)(CCH)	C(NC[6a]Co)(CC3)(CCH)	C(CCN)2(H)	C(NC[6a]Co)(CC3)(CCH)	C(NC[6a]Co)(CC3)(CCH)	132.5651	0.866	13	132.5651	0.751	13	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Co)(CH3)(CCH)	C(NC[6]Co)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Co)(CH3)(CCH)	C(NC[6]Co)(CH3)(CCH)	128.3910	0.000	1	128.3910	0.000	1	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Co)(CH3)(CCH)	C(NC[6a]Co)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Co)(CH3)(CCH)	C(NC[6a]Co)(CH3)(CCH)	128.8258	1.308	9	128.8258	1.711	9	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Cr)(CC3)(CCH)	C(NC[6]Cr)(CC3)(CCH)	C(CCN)2(H)	C(NC[6a]Cr)(CC3)(CCH)	C(NC[6]Cr)(CC3)(CCH)	131.6665	0.426	2	131.6665	0.182	2	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Cr)(CH3)(CCH)	C(NC[6a]Cr)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Cr)(CH3)(CCH)	C(NC[6a]Cr)(CH3)(CCH)	127.6457	0.841	61	127.6457	0.708	61	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Cr)(CH3)(CCH)	C(NCrC)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Cr)(CH3)(CCH)	C(NCrC)(CH3)(CCH)	129.2940	0.000	1	129.2940	0.000	1	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Cu)(CF3)(CCH)	C(NC[6a]Cu)(CF3)(CCH)	C(CCN)2(H)	C(NC[6a]Cu)(CF3)(CCH)	C(NC[6a]Cu)(CF3)(CCH)	126.9256	1.094	13	126.9256	1.198	13	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Cu)(CH3)(CCH)	C(NC[6a]Cu)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Cu)(CH3)(CCH)	C(NC[6a]Cu)(CH3)(CCH)	128.6456	1.162	56	128.6456	1.351	56	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Cu)(CH3)(CCH)	C(NCuC)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Cu)(CH3)(CCH)	C(NCuC)(CH3)(CCH)	129.9387	0.528	7	129.9387	0.278	7	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Eu)(CH3)(CCH)	C(NC[6]Eu)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Eu)(CH3)(CCH)	C(NC[6]Eu)(CH3)(CCH)	129.2940	0.000	1	129.2940	0.000	1	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Fe)(CC3)(CCH)	C(NC[6a]Fe)(CC3)(CCH)	C(CCN)2(H)	C(NC[6a]Fe)(CC3)(CCH)	C(NC[6a]Fe)(CC3)(CCH)	133.2675	0.735	28	133.2675	0.541	28	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Fe)(CH3)(CCH)	C(NC[6]Fe)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Fe)(CH3)(CCH)	C(NC[6]Fe)(CH3)(CCH)	129.6410	0.908	2	129.6410	0.824	2	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Fe)(CH3)(CCH)	C(NC[6a]Fe)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Fe)(CH3)(CCH)	C(NC[6a]Fe)(CH3)(CCH)	129.0085	0.845	46	129.0085	0.714	46	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Fe)(CH3)(CCH)	C(NFeC)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Fe)(CH3)(CCH)	C(NFeC)(CH3)(CCH)	128.6230	1.191	5	128.6230	1.419	5	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]H)(CH3)(CCH)	C(NC[6a]H)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]H)(CH3)(CCH)	C(NC[6a]H)(CH3)(CCH)	127.4785	2.104	4	127.4785	4.427	4	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Ir)(CF3)(CCH)	C(NC[6a]Ir)(CF3)(CCH)	C(CCN)2(H)	C(NC[6a]Ir)(CF3)(CCH)	C(NC[6a]Ir)(CF3)(CCH)	128.6615	0.609	2	128.6615	0.371	2	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Ir)(CH3)(CCH)	C(NC[6a]Ir)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Ir)(CH3)(CCH)	C(NC[6a]Ir)(CH3)(CCH)	129.4260	0.913	5	129.4260	0.833	5	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Li)(CH3)(CCH)	C(NC[6a]Li)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Li)(CH3)(CCH)	C(NC[6a]Li)(CH3)(CCH)	128.4720	0.133	2	128.4720	0.018	2	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Mg)(CC3)(CCH)	C(NC[6a]Mg)(CC3)(CCH)	C(CCN)2(H)	C(NC[6a]Mg)(CC3)(CCH)	C(NC[6a]Mg)(CC3)(CCH)	134.5090	0.000	1	134.5090	0.000	1	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Mg)(CH3)(CCH)	C(NC[6a]Mg)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Mg)(CH3)(CCH)	C(NC[6a]Mg)(CH3)(CCH)	129.7952	0.689	121	129.7952	0.474	121	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Mg)(CH3)(CCH)	C(NMgC)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Mg)(CH3)(CCH)	C(NMgC)(CH3)(CCH)	129.8083	0.505	3	129.8083	0.255	3	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Mg)(CH3)(CCH)	C(NMgN)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Mg)(CH3)(CCH)	C(NMgN)(CH3)(CCH)	129.9450	0.000	1	129.9450	0.000	1	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Mn)(CH3)(CCH)	C(NC[6a]Mn)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Mn)(CH3)(CCH)	C(NC[6a]Mn)(CH3)(CCH)	129.4796	0.921	7	129.4796	0.848	7	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Ni)(CC3)(CCH)	C(NC[6a]Ni)(CC3)(CCH)	C(CCN)2(H)	C(NC[6a]Ni)(CC3)(CCH)	C(NC[6a]Ni)(CC3)(CCH)	131.8978	0.446	6	131.8978	0.199	6	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Ni)(CF3)(CCH)	C(NC[6a]Ni)(CF3)(CCH)	C(CCN)2(H)	C(NC[6a]Ni)(CF3)(CCH)	C(NC[6a]Ni)(CF3)(CCH)	125.5690	0.000	1	125.5690	0.000	1	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Ni)(CH3)(CCH)	C(NC[6]Ni)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Ni)(CH3)(CCH)	C(NC[6]Ni)(CH3)(CCH)	128.6770	0.000	1	128.6770	0.000	1	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Ni)(CH3)(CCH)	C(NC[6a]Ni)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Ni)(CH3)(CCH)	C(NC[6a]Ni)(CH3)(CCH)	127.5009	1.278	34	127.5009	1.634	34	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Ni)(CH3)(CCH)	C(NNiC)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Ni)(CH3)(CCH)	C(NNiC)(CH3)(CCH)	126.2090	0.495	2	126.2090	0.245	2	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Os)(CH3)(CCH)	C(NC[6a]Os)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Os)(CH3)(CCH)	C(NC[6a]Os)(CH3)(CCH)	127.6240	0.000	1	127.6240	0.000	1	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Pb)(CC3)(CCH)	C(NC[6a]Pb)(CC3)(CCH)	C(CCN)2(H)	C(NC[6a]Pb)(CC3)(CCH)	C(NC[6a]Pb)(CC3)(CCH)	130.0850	2.085	2	130.0850	4.345	2	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Pb)(CH3)(CCH)	C(NC[6a]Pb)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Pb)(CH3)(CCH)	C(NC[6a]Pb)(CH3)(CCH)	130.2325	0.961	24	130.2325	0.923	24	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Pd)(CH3)(CCH)	C(NC[6a]Pd)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Pd)(CH3)(CCH)	C(NC[6a]Pd)(CH3)(CCH)	127.4261	1.397	20	127.4261	1.953	20	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Pt)(CH3)(CCH)	C(NC[6a]Pt)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Pt)(CH3)(CCH)	C(NC[6a]Pt)(CH3)(CCH)	129.2468	0.533	4	129.2468	0.284	4	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Re)(CH3)(CCH)	C(NC[6a]Re)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Re)(CH3)(CCH)	C(NC[6a]Re)(CH3)(CCH)	127.9715	1.285	13	127.9715	1.652	13	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Rh)(CF3)(CCH)	C(NC[6a]Rh)(CF3)(CCH)	C(CCN)2(H)	C(NC[6a]Rh)(CF3)(CCH)	C(NC[6a]Rh)(CF3)(CCH)	128.2445	1.176	2	128.2445	1.383	2	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Rh)(CH3)(CCH)	C(NC[6a]Rh)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Rh)(CH3)(CCH)	C(NC[6a]Rh)(CH3)(CCH)	130.5399	1.979	17	130.5399	3.918	17	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Ru)(CF3)(CCH)	C(NC[6a]Ru)(CF3)(CCH)	C(CCN)2(H)	C(NC[6a]Ru)(CF3)(CCH)	C(NC[6a]Ru)(CF3)(CCH)	127.1040	0.493	6	127.1040	0.244	6	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Ru)(CH3)(CCH)	C(NC[6a]Ru)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Ru)(CH3)(CCH)	C(NC[6a]Ru)(CH3)(CCH)	127.8602	0.487	11	127.8602	0.237	11	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Ru)(CH3)(CCH)	C(NRuH)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Ru)(CH3)(CCH)	C(NRuH)(CH3)(CCH)	126.9750	0.000	1	126.9750	0.000	1	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Sn)(CC3)(CCH)	C(NC[6a]Sn)(CC3)(CCH)	C(CCN)2(H)	C(NC[6a]Sn)(CC3)(CCH)	C(NC[6a]Sn)(CC3)(CCH)	132.1248	3.125	4	132.1248	9.763	4	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Sn)(CH3)(CCH)	C(NC[6]Sn)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Sn)(CH3)(CCH)	C(NC[6]Sn)(CH3)(CCH)	130.8620	0.000	1	130.8620	0.000	1	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Sn)(CH3)(CCH)	C(NC[6a]Sn)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Sn)(CH3)(CCH)	C(NC[6a]Sn)(CH3)(CCH)	129.6311	1.263	28	129.6311	1.596	28	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]V)(CH3)(CCH)	C(NC[6]V)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]V)(CH3)(CCH)	C(NC[6]V)(CH3)(CCH)	128.5700	0.146	2	128.5700	0.021	2	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Zn)(CC3)(CCH)	C(NC[6a]Zn)(CC3)(CCH)	C(CCN)2(H)	C(NC[6a]Zn)(CC3)(CCH)	C(NC[6a]Zn)(CC3)(CCH)	134.0277	0.686	3	134.0277	0.470	3	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Zn)(CF3)(CCH)	C(NC[6a]Zn)(CF3)(CCH)	C(CCN)2(H)	C(NC[6a]Zn)(CF3)(CCH)	C(NC[6a]Zn)(CF3)(CCH)	127.3637	0.460	3	127.3637	0.212	3	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Zn)(CH3)(CCH)	C(NC[6]Zn)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Zn)(CH3)(CCH)	C(NC[6]Zn)(CH3)(CCH)	131.3025	0.040	2	131.3025	0.002	2	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Zn)(CH3)(CCH)	C(NC[6a]Zn)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Zn)(CH3)(CCH)	C(NC[6a]Zn)(CH3)(CCH)	129.8324	0.968	48	129.8324	0.936	48	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Zn)(CH3)(CCH)	C(NZnC)(CF3)(CCH)	C(CCN)2(H)	C(NC[6a]Zn)(CH3)(CCH)	C(NZnC)(CF3)(CCH)	129.2380	0.382	2	129.2380	0.146	2	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Zn)(CH3)(CCH)	C(NZnC)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Zn)(CH3)(CCH)	C(NZnC)(CH3)(CCH)	129.6954	1.057	11	129.6954	1.116	11	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NCaN)(CH3)(CCH)	C(NCaN)(CH3)(CCH)	C(CCN)2(H)	C(NCaN)(CH3)(CCH)	C(NCaN)(CH3)(CCH)	131.0925	0.787	2	131.0925	0.619	2	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NCrC)(CH3)(CCH)	C(NCrC)(CH3)(CCH)	C(CCN)2(H)	C(NCrC)(CH3)(CCH)	C(NCrC)(CH3)(CCH)	125.3950	0.000	1	125.3950	0.000	1	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NCuC)(CH3)(CCH)	C(NCuC)(CH3)(CCH)	C(CCN)2(H)	C(NCuC)(CH3)(CCH)	C(NCuC)(CH3)(CCH)	129.7954	1.191	24	129.7954	1.418	24	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NFeC)(CH3)(CCH)	C(NFeC)(CH3)(CCH)	C(CCN)2(H)	C(NFeC)(CH3)(CCH)	C(NFeC)(CH3)(CCH)	129.9520	1.258	12	129.9520	1.583	12	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NLiC)(CH3)(CCH)	C(NLiC)(CH3)(CCH)	C(CCN)2(H)	C(NLiC)(CH3)(CCH)	C(NLiC)(CH3)(CCH)	128.8895	0.145	2	128.8895	0.021	2	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NMgC)(CH3)(CCH)	C(NMgC)(CH3)(CCH)	C(CCN)2(H)	C(NMgC)(CH3)(CCH)	C(NMgC)(CH3)(CCH)	130.3000	0.394	4	130.3000	0.155	4	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NNiN)(CH3)(CCH)	C(NNiN)(CH3)(CCH)	C(CCN)2(H)	C(NNiN)(CH3)(CCH)	C(NNiN)(CH3)(CCH)	128.5580	0.000	1	128.5580	0.000	1	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NPdC)(CH3)(CCH)	C(NPdC)(CH3)(CCH)	C(CCN)2(H)	C(NPdC)(CH3)(CCH)	C(NPdC)(CH3)(CCH)	122.7567	3.113	3	122.7567	9.691	3	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NPdN)(CH3)(CCH)	C(NPdN)(CH3)(CCH)	C(CCN)2(H)	C(NPdN)(CH3)(CCH)	C(NPdN)(CH3)(CCH)	130.8460	0.000	1	130.8460	0.000	1	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NSnC)(CH3)(CCH)	C(NSnC)(CH3)(CCH)	C(CCN)2(H)	C(NSnC)(CH3)(CCH)	C(NSnC)(CH3)(CCH)	130.7538	0.644	6	130.7538	0.415	6	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NZnC)(CH3)(CCH)	C(NZnC)(CH3)(CCH)	C(CCN)2(H)	C(NZnC)(CH3)(CCH)	C(NZnC)(CH3)(CCH)	130.9672	0.809	6	130.9672	0.655	6	129.0601	3.481	862	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	O-3:C-4:C-3:	C(CCN)(CCO)(H)	C(NC[6a]Li)(CH3)(CCH)	C(OLi2)(CH3)(CCH)	C(CCN)(CCO)(H)	C(NC[6a]Li)(CH3)(CCH)	C(OLi2)(CH3)(CCH)	128.3900	0.437	2	128.3900	0.191	2	128.2464	0.908	13	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	O-3:C-4:C-3:	C(CCN)(CCO)(H)	C(NC[6a]Mg)(CH3)(CCH)	C(OMg2)(CH3)(CCH)	C(CCN)(CCO)(H)	C(NC[6a]Mg)(CH3)(CCH)	C(OMg2)(CH3)(CCH)	127.7105	0.667	2	127.7105	0.445	2	128.2464	0.908	13	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	O-3:C-4:C-3:	C(CCN)(CCO)(H)	C(NFeC)(CH3)(CCH)	C(OFe2)(CH3)(CCH)	C(CCN)(CCO)(H)	C(NFeC)(CH3)(CCH)	C(OFe2)(CH3)(CCH)	128.3880	0.000	1	128.3880	0.000	1	128.2464	0.908	13	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	N-3:C-4:C-3:	O-3:C-4:C-3:	C(CCN)(CCO)(H)	C(NZnC)(CH3)(CCH)	C(OZn2)(CH3)(CCH)	C(CCN)(CCO)(H)	C(NZnC)(CH3)(CCH)	C(OZn2)(CH3)(CCH)	128.3268	1.169	8	128.3268	1.367	8	128.2464	0.908	13	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:H-1:	O-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)(CCO)(H)	C(OCoLi)(CH3)(CCH)	C(NCoC)(CH3)(CCH)	C(CCN)(CCO)(H)	C(OCoLi)(CH3)(CCH)	C(NCoC)(CH3)(CCH)	126.5790	0.000	1	126.5790	0.000	1	126.5790	0.000	1	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:O-1:	C-3:C-4:C-3:	C-3:C-4:C-3:	C(CCC)2(O)	C(CC[5a]H)(CCHH)(CCO)	C(CC[5a]H)(CCHH)(CCO)	C(CCC)2(O)	C(CC[5a]H)(CCHH)(CCO)	C(CC[5a]H)(CCHH)(CCO)	116.9560	0.000	1	116.9560	0.000	1	119.8260	6.501	3	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:O-1:	C-3:C-4:C-3:	C-3:C-4:C-3:	C(CCC)2(O)	C(CC[5a]H)(CH3)(CCO)	C(CC[5a]H)(CH3)(CCO)	C(CCC)2(O)	C(CC[5a]H)(CH3)(CCO)	C(CC[5a]H)(CH3)(CCO)	120.6920	0.000	1	120.6920	0.000	1	119.8260	6.501	3	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:O-1:	C-3:C-4:C-3:	C-3:C-4:C-3:	C(CCC)2(O)	C(CC[6a]H)(CH3)(CCO)	C(CC[6a]H)(CH3)(CCO)	C(CCC)2(O)	C(CC[6a]H)(CH3)(CCO)	C(CC[6a]H)(CH3)(CCO)	121.8300	0.000	1	121.8300	0.000	1	119.8260	6.501	3	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	3:4:3:	C-3:C-3:O-1:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(O)	C(NC[6a]Ru)(CH3)(CCO)	C(NRuH)(CH3)(CCO)	C(CCN)2(O)	C(NC[6a]Ru)(CH3)(CCO)	C(NRuH)(CH3)(CCO)	119.9570	0.409	2	119.9570	0.167	2	119.9570	0.167	2	128.9728	4.142	904	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:1:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-4:C-3:H-1:	C(CCC)(CCH)(H)	C(CC[3]H)(CCHO)(CCH)	C(CC[3]HH)(CCH)(H)	C(CCC)(CCH)(H)	C(CC[3]H)(CCHO)(CCH)	C(CC[3]HH)(CCH)(H)	124.8330	0.000	1	124.8330	0.000	1	126.3958	0.969	6	124.6208	2.342	61	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:1:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-4:C-3:H-1:	C(CCC)(CCH)(H)	C(CC[6]H)(CH3)(CCH)	C(CCHH)(CCH)(H)	C(CCC)(CCH)(H)	C(CC[6]H)(CH3)(CCH)	C(CCHH)(CCH)(H)	126.7133	0.799	4	126.7133	0.638	4	126.3958	0.969	6	124.6208	2.342	61	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:1:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-4:C-3:H-1:	C(CCC)(CCH)(H)	C(CC[6]H)(CH3)(CCH)	C(CHHO)(CCH)(H)	C(CCC)(CCH)(H)	C(CC[6]H)(CH3)(CCH)	C(CHHO)(CCH)(H)	126.6890	0.000	1	126.6890	0.000	1	126.3958	0.969	6	124.6208	2.342	61	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:1:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-4:C-3:O-1:	C(CCC)(CCO)(H)	C(CN[5]O)(CF3)(CCH)	C(CC[5]HH)(CCH)(O)	C(CCC)(CCO)(H)	C(CN[5]O)(CF3)(CCH)	C(CC[5]HH)(CCH)(O)	128.5130	1.523	2	128.5130	2.320	2	128.5130	2.320	2	124.6208	2.342	61	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:1:	C-3:C-3:H-1:	C[6]-3:C-4:C-3:	C-4:C-3:H-1:	C(CC[6]C)(CCH)(H)	C(C[6]C[5,6]C[6])(CH3)(CCH)	C(CN[5]HH)(CCH)(H)	C(CC[6]C)(CCH)(H)	C(C[6]C[5,6]C[6])(CH3)(CCH)	C(CN[5]HH)(CCH)(H)	121.8790	0.000	1	121.8790	0.000	1	121.8790	0.000	1	124.6208	2.342	61	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-4:C-3:O-1:	C(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CBrHH)(CCH)	C(CH3)(CCH)(O)	C(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CBrHH)(CCH)	C(CH3)(CCH)(O)	127.6830	0.000	1	127.6830	0.000	1	127.7260	0.004	2	124.6208	2.342	61	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:1:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-4:C-3:O-1:	C(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CClHH)(CCH)	C(CH3)(CCH)(O)	C(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CClHH)(CCH)	C(CH3)(CCH)(O)	127.7690	0.000	1	127.7690	0.000	1	127.7260	0.004	2	124.6208	2.342	61	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:1:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-1:	C(CCN)(CCO)(H)	C(NC[5]H)(CH3)(CCH)	C(CH3)(CCH)(O)	C(CCN)(CCO)(H)	C(NC[5]H)(CH3)(CCH)	C(CH3)(CCH)(O)	124.1058	1.454	4	124.1058	2.114	4	124.1388	0.897	49	124.6208	2.342	61	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:1:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-1:	C(CCN)(CCO)(H)	C(NC[6a]H)(CCCH)(CCH)	C(CH3)(CCH)(O)	C(CCN)(CCO)(H)	C(NC[6a]H)(CCCH)(CCH)	C(CH3)(CCH)(O)	122.8940	0.331	3	122.8940	0.110	3	124.1388	0.897	49	124.6208	2.342	61	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:1:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-1:	C(CCN)(CCO)(H)	C(NC[6a]H)(CCHH)(CCH)	C(CH3)(CCH)(O)	C(CCN)(CCO)(H)	C(NC[6a]H)(CCHH)(CCH)	C(CH3)(CCH)(O)	123.1194	0.349	8	123.1194	0.122	8	124.1388	0.897	49	124.6208	2.342	61	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:1:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-1:	C(CCN)(CCO)(H)	C(NC[6a]H)(CH3)(CCH)	C(CF3)(CCH)(O)	C(CCN)(CCO)(H)	C(NC[6a]H)(CH3)(CCH)	C(CF3)(CCH)(O)	123.4740	0.000	1	123.4740	0.000	1	124.1388	0.897	49	124.6208	2.342	61	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:1:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-1:	C(CCN)(CCO)(H)	C(NC[6a]H)(CH3)(CCH)	C(CH3)(CCH)(O)	C(CCN)(CCO)(H)	C(NC[6a]H)(CH3)(CCH)	C(CH3)(CCH)(O)	124.4906	0.745	31	124.4906	0.555	31	124.1388	0.897	49	124.6208	2.342	61	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:1:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-1:	C(CCN)(CCO)(H)	C(NN[5]H)(CH3)(CCH)	C(CH3)(CCH)(O)	C(CCN)(CCO)(H)	C(NN[5]H)(CH3)(CCH)	C(CH3)(CCH)(O)	125.0305	0.371	2	125.0305	0.138	2	124.1388	0.897	49	124.6208	2.342	61	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:1:	C-3:C-3:H-1:	N[5]-3:C-4:C-3:	C-4:C-3:O-1:	C(CN[5]C)(CCO)(H)	C(N[5]C[5]2)(CN[5a]HH)(CCH)	C(CF3)(CCH)(O)	C(CN[5]C)(CCO)(H)	C(N[5]C[5]2)(CN[5a]HH)(CCH)	C(CF3)(CCH)(O)	126.3360	0.000	1	126.3360	0.000	1	126.3360	0.000	1	124.6208	2.342	61	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NAlC)(CH3)(CCH)	C(CH3)(CCH)(OAl)	C(CCN)(CCO)(H)	C(NAlC)(CH3)(CCH)	C(CH3)(CCH)(OAl)	124.7870	1.056	3	124.7870	1.115	3	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NC[5]Ni)(CH3)(CCH)	C(CF3)(CCH)(ONi)	C(CCN)(CCO)(H)	C(NC[5]Ni)(CH3)(CCH)	C(CF3)(CCH)(ONi)	124.1105	0.578	2	124.1105	0.334	2	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NC[5]Ni)(CH3)(CCH)	C(CH3)(CCH)(ONi)	C(CCN)(CCO)(H)	C(NC[5]Ni)(CH3)(CCH)	C(CH3)(CCH)(ONi)	125.7065	0.018	2	125.7065	0.000	2	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NC[6]H)(CH3)(CCH)	C(CH3)(CCH)(OZn)	C(CCN)(CCO)(H)	C(NC[6]H)(CH3)(CCH)	C(CH3)(CCH)(OZn)	125.2330	0.399	2	125.2330	0.159	2	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NC[6a]Al)(CH3)(CCH)	C(CH3)(CCH)(OAl)	C(CCN)(CCO)(H)	C(NC[6a]Al)(CH3)(CCH)	C(CH3)(CCH)(OAl)	124.9060	0.342	4	124.9060	0.117	4	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NC[6a]Co)(CF3)(CCH)	C(CF3)(CCH)(OCo)	C(CCN)(CCO)(H)	C(NC[6a]Co)(CF3)(CCH)	C(CF3)(CCH)(OCo)	124.5335	0.074	2	124.5335	0.006	2	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NC[6a]Cr)(CH3)(CCH)	C(CH3)(CCH)(OCr)	C(CCN)(CCO)(H)	C(NC[6a]Cr)(CH3)(CCH)	C(CH3)(CCH)(OCr)	126.4430	0.000	1	126.4430	0.000	1	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NC[6a]Cu)(CH3)(CCH)	C(CH3)(CCH)(OCu)	C(CCN)(CCO)(H)	C(NC[6a]Cu)(CH3)(CCH)	C(CH3)(CCH)(OCu)	126.3972	0.866	17	126.3972	0.750	17	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NC[6a]Fe)(CH3)(CCH)	C(CH3)(CCH)(OFe)	C(CCN)(CCO)(H)	C(NC[6a]Fe)(CH3)(CCH)	C(CH3)(CCH)(OFe)	126.7640	0.000	1	126.7640	0.000	1	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NC[6a]H)(CH3)(CCH)	C(CH3)(CCH)(OC)	C(CCN)(CCO)(H)	C(NC[6a]H)(CH3)(CCH)	C(CH3)(CCH)(OC)	128.0710	0.000	1	128.0710	0.000	1	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NC[6a]H)(CH3)(CCH)	C(CH3)(CCH)(OSn)	C(CCN)(CCO)(H)	C(NC[6a]H)(CH3)(CCH)	C(CH3)(CCH)(OSn)	125.2780	0.000	1	125.2780	0.000	1	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NC[6a]H)(CH3)(CCH)	C(CIrHH)(CCH)(OGe)	C(CCN)(CCO)(H)	C(NC[6a]H)(CH3)(CCH)	C(CIrHH)(CCH)(OGe)	126.2580	0.000	1	126.2580	0.000	1	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NC[6a]Ir)(CF3)(CCH)	C(CF3)(CCH)(OIr)	C(CCN)(CCO)(H)	C(NC[6a]Ir)(CF3)(CCH)	C(CF3)(CCH)(OIr)	124.5130	0.000	1	124.5130	0.000	1	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NC[6a]Ir)(CH3)(CCH)	C(CH3)(CCH)(OIr)	C(CCN)(CCO)(H)	C(NC[6a]Ir)(CH3)(CCH)	C(CH3)(CCH)(OIr)	127.9584	0.867	11	127.9584	0.752	11	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NC[6a]Mg)(CH3)(CCH)	C(CH3)(CCH)(OMg)	C(CCN)(CCO)(H)	C(NC[6a]Mg)(CH3)(CCH)	C(CH3)(CCH)(OMg)	127.1540	0.000	1	127.1540	0.000	1	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NC[6a]Mo)(CH3)(CCH)	C(CF3)(CCH)(OMo)	C(CCN)(CCO)(H)	C(NC[6a]Mo)(CH3)(CCH)	C(CF3)(CCH)(OMo)	123.9095	1.244	6	123.9095	1.549	6	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NC[6a]Mo)(CH3)(CCH)	C(CH3)(CCH)(OMo)	C(CCN)(CCO)(H)	C(NC[6a]Mo)(CH3)(CCH)	C(CH3)(CCH)(OMo)	124.9133	0.937	12	124.9133	0.879	12	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NC[6a]Ni)(CF3)(CCH)	C(CF3)(CCH)(ONi)	C(CCN)(CCO)(H)	C(NC[6a]Ni)(CF3)(CCH)	C(CF3)(CCH)(ONi)	125.0355	0.532	2	125.0355	0.284	2	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NC[6a]Ni)(CH3)(CCH)	C(CF3)(CCH)(ONi)	C(CCN)(CCO)(H)	C(NC[6a]Ni)(CH3)(CCH)	C(CF3)(CCH)(ONi)	124.2700	0.000	1	124.2700	0.000	1	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NC[6a]Pd)(CH3)(CCH)	C(CH3)(CCH)(OPd)	C(CCN)(CCO)(H)	C(NC[6a]Pd)(CH3)(CCH)	C(CH3)(CCH)(OPd)	129.4837	0.642	11	129.4837	0.412	11	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NC[6a]Pt)(CH3)(CCH)	C(CH3)(CCH)(OPt)	C(CCN)(CCO)(H)	C(NC[6a]Pt)(CH3)(CCH)	C(CH3)(CCH)(OPt)	131.4210	0.000	1	131.4210	0.000	1	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NC[6a]Re)(CH3)(CCH)	C(CH3)(CCH)(ORe)	C(CCN)(CCO)(H)	C(NC[6a]Re)(CH3)(CCH)	C(CH3)(CCH)(ORe)	126.2482	1.574	9	126.2482	2.477	9	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NC[6a]Rh)(CH3)(CCH)	C(CH3)(CCH)(ORh)	C(CCN)(CCO)(H)	C(NC[6a]Rh)(CH3)(CCH)	C(CH3)(CCH)(ORh)	127.5720	0.863	2	127.5720	0.744	2	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NC[6a]Ru)(CH3)(CCH)	C(CH3)(CCH)(ORu)	C(CCN)(CCO)(H)	C(NC[6a]Ru)(CH3)(CCH)	C(CH3)(CCH)(ORu)	127.6507	0.490	3	127.6507	0.240	3	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NC[6a]Zn)(CF3)(CCH)	C(CC3)(CCH)(OZn)	C(CCN)(CCO)(H)	C(NC[6a]Zn)(CF3)(CCH)	C(CC3)(CCH)(OZn)	126.4452	0.373	5	126.4452	0.139	5	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NC[6a]Zn)(CF3)(CCH)	C(CF3)(CCH)(OZn)	C(CCN)(CCO)(H)	C(NC[6a]Zn)(CF3)(CCH)	C(CF3)(CCH)(OZn)	124.0055	0.358	4	124.0055	0.128	4	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NC[6a]Zn)(CH3)(CCH)	C(CF3)(CCH)(OZn)	C(CCN)(CCO)(H)	C(NC[6a]Zn)(CH3)(CCH)	C(CF3)(CCH)(OZn)	125.2200	0.000	1	125.2200	0.000	1	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NC[6a]Zn)(CH3)(CCH)	C(CH3)(CCH)(OZn)	C(CCN)(CCO)(H)	C(NC[6a]Zn)(CH3)(CCH)	C(CH3)(CCH)(OZn)	128.3402	1.142	11	128.3402	1.305	11	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NCoC)(CH3)(CCH)	C(CF3)(CCH)(OCo)	C(CCN)(CCO)(H)	C(NCoC)(CH3)(CCH)	C(CF3)(CCH)(OCo)	124.0035	0.610	2	124.0035	0.372	2	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NCoC)(CH3)(CCH)	C(CH3)(CCH)(OCo)	C(CCN)(CCO)(H)	C(NCoC)(CH3)(CCH)	C(CH3)(CCH)(OCo)	125.1491	0.338	8	125.1491	0.114	8	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NCuC)(CH3)(CCH)	C(CH3)(CCH)(OCu)	C(CCN)(CCO)(H)	C(NCuC)(CH3)(CCH)	C(CH3)(CCH)(OCu)	127.0345	1.315	2	127.0345	1.728	2	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NCuN)(CH3)(CCH)	C(CH3)(CCH)(OCu)	C(CCN)(CCO)(H)	C(NCuN)(CH3)(CCH)	C(CH3)(CCH)(OCu)	125.6210	0.298	2	125.6210	0.089	2	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NFeC)(CH3)(CCH)	C(CH3)(CCH)(OFe)	C(CCN)(CCO)(H)	C(NFeC)(CH3)(CCH)	C(CH3)(CCH)(OFe)	126.7708	0.945	13	126.7708	0.893	13	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NMgC)(CH3)(CCH)	C(CH3)(CCH)(OMg)	C(CCN)(CCO)(H)	C(NMgC)(CH3)(CCH)	C(CH3)(CCH)(OMg)	125.9560	0.000	1	125.9560	0.000	1	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NMnC)(CH3)(CCH)	C(CF3)(CCH)(OMn)	C(CCN)(CCO)(H)	C(NMnC)(CH3)(CCH)	C(CF3)(CCH)(OMn)	124.0225	0.216	2	124.0225	0.047	2	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NMnC)(CH3)(CCH)	C(CH3)(CCH)(OMn)	C(CCN)(CCO)(H)	C(NMnC)(CH3)(CCH)	C(CH3)(CCH)(OMn)	125.6762	0.503	6	125.6762	0.253	6	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NNiC)(CH3)(CCH)	C(CH3)(CCH)(ONi)	C(CCN)(CCO)(H)	C(NNiC)(CH3)(CCH)	C(CH3)(CCH)(ONi)	125.6066	1.269	8	125.6066	1.609	8	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NNiN)(CH3)(CCH)	C(CH3)(CCH)(ONi)	C(CCN)(CCO)(H)	C(NNiN)(CH3)(CCH)	C(CH3)(CCH)(ONi)	124.9520	0.000	1	124.9520	0.000	1	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NPdC)(CH3)(CCH)	C(CH3)(CCH)(OPd)	C(CCN)(CCO)(H)	C(NPdC)(CH3)(CCH)	C(CH3)(CCH)(OPd)	127.7490	0.000	1	127.7490	0.000	1	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NReC)(CH3)(CCH)	C(CH3)(CCH)(ORe)	C(CCN)(CCO)(H)	C(NReC)(CH3)(CCH)	C(CH3)(CCH)(ORe)	127.5743	2.134	4	127.5743	4.555	4	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NSnC)(CH3)(CCH)	C(CH3)(CCH)(OSn)	C(CCN)(CCO)(H)	C(NSnC)(CH3)(CCH)	C(CH3)(CCH)(OSn)	127.6955	0.176	2	127.6955	0.031	2	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NSnN)(CH3)(CCH)	C(CH3)(CCH)(OSn)	C(CCN)(CCO)(H)	C(NSnN)(CH3)(CCH)	C(CH3)(CCH)(OSn)	127.9300	0.000	1	127.9300	0.000	1	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(NZnC)(CH3)(CCH)	C(CH3)(CCH)(OZn)	C(CCN)(CCO)(H)	C(NZnC)(CH3)(CCH)	C(CH3)(CCH)(OZn)	128.7651	0.257	11	128.7651	0.066	11	126.5063	3.261	182	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	N-3:C-4:C-3:	C-4:C-3:S-2:	C(CCN)(CCS)(H)	C(NC[6a]Ru)(CH3)(CCH)	C(CH3)(CCH)(SRu)	C(CCN)(CCS)(H)	C(NC[6a]Ru)(CH3)(CCH)	C(CH3)(CCH)(SRu)	131.6310	0.000	1	131.6310	0.000	1	131.6310	0.000	1	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-4:C-3:O-2:	C(CCO)2(H)	C(OBa2)(CH3)(CCH)	C(CH3)(CCH)(OBa)	C(CCO)2(H)	C(OBa2)(CH3)(CCH)	C(CH3)(CCH)(OBa)	127.8620	0.000	1	127.8620	0.000	1	126.9967	0.967	16	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-4:C-3:O-2:	C(CCO)2(H)	C(OBaCo)(CH3)(CCH)	C(CH3)(CCH)(OCo)	C(CCO)2(H)	C(OBaCo)(CH3)(CCH)	C(CH3)(CCH)(OCo)	124.5910	0.000	1	124.5910	0.000	1	126.9967	0.967	16	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-4:C-3:O-2:	C(CCO)2(H)	C(OCdNi)(CH3)(CCH)	C(CH3)(CCH)(ONi)	C(CCO)2(H)	C(OCdNi)(CH3)(CCH)	C(CH3)(CCH)(ONi)	127.2235	0.175	2	127.2235	0.031	2	126.9967	0.967	16	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-4:C-3:O-2:	C(CCO)2(H)	C(OCo2)(CH3)(CCH)	C(CH3)(CCH)(OCo)	C(CCO)2(H)	C(OCo2)(CH3)(CCH)	C(CH3)(CCH)(OCo)	127.2036	0.758	5	127.2036	0.574	5	126.9967	0.967	16	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-4:C-3:O-2:	C(CCO)2(H)	C(OMg2)(CH3)(CCH)	C(CH3)(CCH)(OMg)	C(CCO)2(H)	C(OMg2)(CH3)(CCH)	C(CH3)(CCH)(OMg)	126.3150	0.151	2	126.3150	0.023	2	126.9967	0.967	16	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-4:C-3:O-2:	C(CCO)2(H)	C(ONi2)(CH3)(CCH)	C(CH3)(CCH)(ONi)	C(CCO)2(H)	C(ONi2)(CH3)(CCH)	C(CH3)(CCH)(ONi)	127.4107	0.675	3	127.4107	0.456	3	126.9967	0.967	16	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-4:C-3:O-2:	C(CCO)2(H)	C(ORu2)(CH3)(CCH)	C(CH3)(CCH)(ORu)	C(CCO)2(H)	C(ORu2)(CH3)(CCH)	C(CH3)(CCH)(ORu)	128.2950	0.000	1	128.2950	0.000	1	126.9967	0.967	16	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:2:	C-3:C-3:H-1:	O-3:C-4:C-3:	C-4:C-3:O-2:	C(CCO)2(H)	C(OZn2)(CH3)(CCH)	C(CH3)(CCH)(OZn)	C(CCO)2(H)	C(OZn2)(CH3)(CCH)	C(CH3)(CCH)(OZn)	125.8720	0.000	1	125.8720	0.000	1	126.9967	0.967	16	126.5715	3.202	199	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-4:C-3:C-3:	C(CCC)2(H)	C(CC[6a]H)(CH3)(CCH)	C(CH3)(CCH)2	C(CCC)2(H)	C(CC[6a]H)(CH3)(CCH)	C(CH3)(CCH)2	129.3500	0.000	1	129.3500	0.000	1	129.3010	0.005	2	129.2324	4.844	10	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:3:	C-3:C-3:H-1:	C-3:C-4:C-3:	C-4:C-3:C-3:	C(CCC)2(H)	C(CN[5]C)(CH3)(CCH)	C(CH3)(CCH)2	C(CCC)2(H)	C(CN[5]C)(CH3)(CCH)	C(CH3)(CCH)2	129.2520	0.000	1	129.2520	0.000	1	129.3010	0.005	2	129.2324	4.844	10	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:3:	C-3:C-3:H-1:	C[5]-3:C-4:C-3:	C-4:C-3:C-3:	C(CC[5]C)(CCC)(H)	C(C[5]C[5]2)(CH3)(CCH)	C(CH3)(CCH)2	C(CC[5]C)(CCC)(H)	C(C[5]C[5]2)(CH3)(CCH)	C(CH3)(CCH)2	131.0455	0.039	2	131.0455	0.002	2	129.7523	2.304	4	129.2324	4.844	10	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:3:	C-3:C-3:H-1:	C[5]-3:C-4:C-3:	C-4:C-3:C-3:	C(CC[5]C)(CCC)(H)	C(C[5]N[5,6]C[5])(CH3)(CCH)	C(CH3)(CCH)2	C(CC[5]C)(CCC)(H)	C(C[5]N[5,6]C[5])(CH3)(CCH)	C(CH3)(CCH)2	128.1270	0.000	1	128.1270	0.000	1	129.7523	2.304	4	129.2324	4.844	10	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:3:	C-3:C-3:H-1:	C[5]-3:C-4:C-3:	C-4:C-3:C-3:	C(CC[5]C)(CCC)(H)	C(C[5]N[5,6]P[5])(CH3)(CCH)	C(CH3)(CCH)2	C(CC[5]C)(CCC)(H)	C(C[5]N[5,6]P[5])(CH3)(CCH)	C(CH3)(CCH)2	128.7910	0.000	1	128.7910	0.000	1	129.7523	2.304	4	129.2324	4.844	10	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:3:	C-3:C-3:H-1:	C[5]-3:C-4:C-3:	C[6]-4:C-3:C-3:	C(CC[5]C)(CC[6]C)(H)	C(C[5]C[5,6]N[5])(CH3)(CCH)	C(C[6]C[6]2H)(CCH)2	C(CC[5]C)(CC[6]C)(H)	C(C[5]C[5,6]N[5])(CH3)(CCH)	C(C[6]C[6]2H)(CCH)2	127.0560	0.000	1	127.0560	0.000	1	127.0560	0.000	1	129.2324	4.844	10	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-4:C-3:C-3:	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	C(CHHO)(CCH)(CCO)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CCHH)(CCH)	C(CHHO)(CCH)(CCO)	125.0060	0.000	1	125.0060	0.000	1	129.2190	15.428	3	129.2324	4.844	10	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-4:C-3:C-3:	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(CCH)	C(CH3)(CCH)(CHS)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CC[6a]HH)(CCH)	C(CH3)(CCH)(CHS)	129.8710	0.000	1	129.8710	0.000	1	129.2190	15.428	3	129.2324	4.844	10	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	3:4:3:	4:3:3:	C-3:C-3:H-1:	C[6a]-3:C-4:C-3:	C-4:C-3:C-3:	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]O[6a])(CH3)(CCH)	C(CH3)(CCH)2	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]O[6a])(CH3)(CCH)	C(CH3)(CCH)2	132.7800	0.000	1	132.7800	0.000	1	129.2190	15.428	3	129.2324	4.844	10	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	2:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	N-2:C-3:H-1:	C(CCH)(CHN)(H)	C(CC[5]CH)(CCH)(H)	C(NN[5])(CCH)(H)	C(CCH)(CHN)(H)	C(CC[5]CH)(CCH)(H)	C(NN[5])(CCH)(H)	124.1265	0.890	4	124.1265	0.792	4	123.8697	0.940	6	123.2147	3.786	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	2:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	N-2:C-3:H-1:	C(CCH)(CHN)(H)	C(CC[5]HH)(CCH)(H)	C(NN[5])(CCH)(H)	C(CCH)(CHN)(H)	C(CC[5]HH)(CCH)(H)	C(NN[5])(CCH)(H)	123.3560	1.237	2	123.3560	1.531	2	123.8697	0.940	6	123.2147	3.786	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	2:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	O-2:C-3:O-1:	C(CCH)(COO)(H)	C(CN[5]CH)(CCH)(H)	C(OC[6a])(CCH)(O)	C(CCH)(COO)(H)	C(CN[5]CH)(CCH)(H)	C(OC[6a])(CCH)(O)	119.2850	0.000	1	119.2850	0.000	1	119.2850	0.000	1	123.2147	3.786	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	2:4:3:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	N-2:C-4:C-3:	C(CC[5]O)(CCN)(H)	C(C[5]C[5]2Fe)(CCH)(O)	C(NC[6a])(CH3)(CCH)	C(CC[5]O)(CCN)(H)	C(C[5]C[5]2Fe)(CCH)(O)	C(NC[6a])(CH3)(CCH)	124.2420	0.000	1	124.2420	0.000	1	124.2420	0.000	1	124.2420	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:1:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:H-1:H-1:	C(CCH)(CHH)(H)	C(CLiCH)(CCH)(H)	C(CCH)(H)2	C(CCH)(CHH)(H)	C(CLiCH)(CCH)(H)	C(CCH)(H)2	128.8920	0.000	1	128.8920	0.000	1	128.8920	0.000	1	123.4047	10.544	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:1:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:O-1:O-1:	C(CCH)(COO)(H)	C(CCHH)(CCH)(H)	C(CCH)(O)2	C(CCH)(COO)(H)	C(CCHH)(CCH)(H)	C(CCH)(O)2	120.5720	0.000	1	120.5720	0.000	1	122.8760	10.617	2	123.4047	10.544	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:1:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:O-1:O-1:	C(CCH)(COO)(H)	C(CH3)(CCH)(H)	C(CCH)(O)2	C(CCH)(COO)(H)	C(CH3)(CCH)(H)	C(CCH)(O)2	125.1800	0.000	1	125.1800	0.000	1	122.8760	10.617	2	123.4047	10.544	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:1:1:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:H-1:I-1:	C(CCO)(CHI)(H)	C(CC[5]HH)(CCH)(O)	C(CCH)(H)(I)	C(CCO)(CHI)(H)	C(CC[5]HH)(CCH)(O)	C(CCH)(H)(I)	126.2690	0.000	1	126.2690	0.000	1	126.2690	0.000	1	123.4047	10.544	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:1:1:	C-3:C-3:H-1:	C[5]-4:C-3:Cl-1:	C-3:H-1:O-1:	C(CC[5]Cl)(CHO)(H)	C(C[5]C[5]2Fe)(CCH)(Cl)	C(CCH)(H)(O)	C(CC[5]Cl)(CHO)(H)	C(C[5]C[5]2Fe)(CCH)(Cl)	C(CCH)(H)(O)	126.8030	0.448	2	126.8030	0.201	2	126.8030	0.201	2	123.4047	10.544	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:1:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:H-1:O-1:	C(CC[5]H)(CHO)(H)	C(C[5]C[5]2Fe)(CCH)(H)	C(CCH)(H)(O)	C(CC[5]H)(CHO)(H)	C(C[5]C[5]2Fe)(CCH)(H)	C(CCH)(H)(O)	120.8363	0.603	4	120.8363	0.364	4	120.8363	0.364	4	123.4047	10.544	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:1:1:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	C-3:H-1:H-1:	C(CC[5]O)(CHH)(H)	C(C[5]C[5,6]C[5]H)(CCH)(O)	C(CCH)(H)2	C(CC[5]O)(CHH)(H)	C(C[5]C[5,6]C[5]H)(CCH)(O)	C(CCH)(H)2	125.8660	0.000	1	125.8660	0.000	1	125.8660	0.000	1	123.4047	10.544	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:1:1:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:H-1:O-1:	C(CC[6]H)(CHO)(H)	C(C[6]C[6a]C[6]2)(CCH)(H)	C(CCH)(H)(O)	C(CC[6]H)(CHO)(H)	C(C[6]C[6a]C[6]2)(CCH)(H)	C(CCH)(H)(O)	120.2655	0.701	2	120.2655	0.491	2	120.2655	0.491	2	123.4047	10.544	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:F-1:	C[3]-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[3]H)(COO)(F)	C(C[3]C[3]2H)(CCF)(H)	C(CCF)(OC)(O)	C(CC[3]H)(COO)(F)	C(C[3]C[3]2H)(CCF)(H)	C(CCF)(OC)(O)	129.6670	0.000	1	129.6670	0.000	1	129.6670	0.000	1	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:Cl-1:	C-3:O-2:O-1:	C(CClC)(COO)(H)	C(CCHH)(CCH)(Cl)	C(CCH)(OH)(O)	C(CClC)(COO)(H)	C(CCHH)(CCH)(Cl)	C(CCH)(OH)(O)	121.9420	0.000	1	121.9420	0.000	1	124.3347	4.354	3	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:Cl-1:	C-3:O-2:O-1:	C(CClC)(COO)(H)	C(CC[5]HH)(CCH)(Cl)	C(CCH)(OC)(O)	C(CClC)(COO)(H)	C(CC[5]HH)(CCH)(Cl)	C(CCH)(OC)(O)	125.5310	0.346	2	125.5310	0.120	2	124.3347	4.354	3	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:N-2:H-1:	C(CCH)(CHN)(H)	C(CF3)(CCH)(H)	C(CCH)(NN)(H)	C(CCH)(CHN)(H)	C(CF3)(CCH)(H)	C(CCH)(NN)(H)	124.3650	0.000	1	124.3650	0.000	1	122.9413	3.778	3	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:N-2:H-1:	C(CCH)(CHN)(H)	C(CH3)(CCH)(H)	C(CCH)(NN)(H)	C(CCH)(CHN)(H)	C(CH3)(CCH)(H)	C(CCH)(NN)(H)	122.2295	2.125	2	122.2295	4.515	2	122.9413	3.778	3	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:N-2:O-1:	C(CCH)(CNO)(H)	C(CCHO)(CCH)(H)	C(CCH)(NC)(O)	C(CCH)(CNO)(H)	C(CCHO)(CCH)(H)	C(CCH)(NC)(O)	123.6560	0.000	1	123.6560	0.000	1	123.6560	0.000	1	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CC3)(CCH)(H)	C(CCH)(OC)(O)	C(CCH)(COO)(H)	C(CC3)(CCH)(H)	C(CCH)(OC)(O)	122.5877	1.739	4	122.5877	3.025	4	122.8965	4.555	82	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CCCN)(CCH)(H)	C(CCH)(OC)(O)	C(CCH)(COO)(H)	C(CCCN)(CCH)(H)	C(CCH)(OC)(O)	122.6233	1.198	3	122.6233	1.435	3	122.8965	4.555	82	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CCCO)(CCH)(H)	C(CCH)(OC)(O)	C(CCH)(COO)(H)	C(CCCO)(CCH)(H)	C(CCH)(OC)(O)	124.7690	0.000	1	124.7690	0.000	1	122.8965	4.555	82	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CCHH)(CCH)(H)	C(CCH)(OC)(O)	C(CCH)(COO)(H)	C(CCHH)(CCH)(H)	C(CCH)(OC)(O)	122.9101	2.764	11	122.9101	7.642	11	122.8965	4.555	82	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CCHH)(CCH)(H)	C(CCH)(OH)(O)	C(CCH)(COO)(H)	C(CCHH)(CCH)(H)	C(CCH)(OH)(O)	123.2207	1.703	9	123.2207	2.900	9	122.8965	4.555	82	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CCHN)(CCH)(H)	C(CCH)(OC)(O)	C(CCH)(COO)(H)	C(CCHN)(CCH)(H)	C(CCH)(OC)(O)	122.9433	2.107	8	122.9433	4.438	8	122.8965	4.555	82	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CCHO)(CCH)(H)	C(CCH)(OC)(O)	C(CCH)(COO)(H)	C(CCHO)(CCH)(H)	C(CCH)(OC)(O)	123.9540	1.815	8	123.9540	3.293	8	122.8965	4.555	82	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CC[3]HO)(CCH)(H)	C(CCH)(OC)(O)	C(CCH)(COO)(H)	C(CC[3]HO)(CCH)(H)	C(CCH)(OC)(O)	122.3980	0.000	1	122.3980	0.000	1	122.8965	4.555	82	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CC[5,6,6]HH)(CCH)(H)	C(CCH)(OC)(O)	C(CCH)(COO)(H)	C(CC[5,6,6]HH)(CCH)(H)	C(CCH)(OC)(O)	121.5670	2.678	4	121.5670	7.173	4	122.8965	4.555	82	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CC[5]CH)(CCH)(H)	C(CCH)(OC)(O)	C(CCH)(COO)(H)	C(CC[5]CH)(CCH)(H)	C(CCH)(OC)(O)	122.0384	1.330	7	122.0384	1.770	7	122.8965	4.555	82	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CC[5]HH)(CCH)(H)	C(CCH)(OC)(O)	C(CCH)(COO)(H)	C(CC[5]HH)(CCH)(H)	C(CCH)(OC)(O)	124.5041	3.102	8	124.5041	9.624	8	122.8965	4.555	82	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CC[5a]CH)(CCH)(H)	C(CCH)(OC)(O)	C(CCH)(COO)(H)	C(CC[5a]CH)(CCH)(H)	C(CCH)(OC)(O)	124.9690	0.000	1	124.9690	0.000	1	122.8965	4.555	82	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CC[6,6]HH)(CCH)(H)	C(CCH)(OC)(O)	C(CCH)(COO)(H)	C(CC[6,6]HH)(CCH)(H)	C(CCH)(OC)(O)	121.4285	0.704	4	121.4285	0.496	4	122.8965	4.555	82	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CC[6]CH)(CCH)(H)	C(CCH)(OC)(O)	C(CCH)(COO)(H)	C(CC[6]CH)(CCH)(H)	C(CCH)(OC)(O)	126.4790	0.000	1	126.4790	0.000	1	122.8965	4.555	82	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CC[6]HH)(CCH)(H)	C(CCH)(OC)(O)	C(CCH)(COO)(H)	C(CC[6]HH)(CCH)(H)	C(CCH)(OC)(O)	120.9020	0.000	1	120.9020	0.000	1	122.8965	4.555	82	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CC[6a]CH)(CCH)(H)	C(CCH)(OC)(O)	C(CCH)(COO)(H)	C(CC[6a]CH)(CCH)(H)	C(CCH)(OC)(O)	123.0400	1.607	3	123.0400	2.582	3	122.8965	4.555	82	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CC[6a]HO)(CCH)(H)	C(CCH)(OC)(O)	C(CCH)(COO)(H)	C(CC[6a]HO)(CCH)(H)	C(CCH)(OC)(O)	121.3280	0.000	1	121.3280	0.000	1	122.8965	4.555	82	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CClCH)(CCH)(H)	C(CCH)(OC)(O)	C(CCH)(COO)(H)	C(CClCH)(CCH)(H)	C(CCH)(OC)(O)	122.1780	0.959	2	122.1780	0.919	2	122.8965	4.555	82	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CF3)(CCH)(H)	C(CCH)(OH)(O)	C(CCH)(COO)(H)	C(CF3)(CCH)(H)	C(CCH)(OH)(O)	121.8730	0.686	2	121.8730	0.470	2	122.8965	4.555	82	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(H)	C(CHHO)(CCH)(H)	C(CCH)(OC)(O)	C(CCH)(COO)(H)	C(CHHO)(CCH)(H)	C(CCH)(OC)(O)	120.9213	0.866	3	120.9213	0.750	3	122.8965	4.555	82	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:I-1:	C-3:O-2:O-1:	C(CCI)(COO)(H)	C(CH3)(CCH)(I)	C(CCH)(OH)(O)	C(CCI)(COO)(H)	C(CH3)(CCH)(I)	C(CCH)(OH)(O)	129.2180	0.000	1	129.2180	0.000	1	129.2180	0.000	1	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:O-2:H-1:	C(CCO)(CHO)(H)	C(CCHH)(CCH)(O)	C(CCH)(OC)(H)	C(CCO)(CHO)(H)	C(CCHH)(CCH)(O)	C(CCH)(OC)(H)	124.8770	0.000	1	124.8770	0.000	1	120.7600	31.735	6	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:O-2:H-1:	C(CCO)(CHO)(H)	C(CC[5]HH)(CCH)(O)	C(CCH)(OC)(H)	C(CCO)(CHO)(H)	C(CC[5]HH)(CCH)(O)	C(CCH)(OC)(H)	109.8700	0.000	1	109.8700	0.000	1	120.7600	31.735	6	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:O-2:H-1:	C(CCO)(CHO)(H)	C(CH3)(CCH)(O)	C(CCH)(OC)(H)	C(CCO)(CHO)(H)	C(CH3)(CCH)(O)	C(CCH)(OC)(H)	122.4532	1.972	4	122.4532	3.889	4	120.7600	31.735	6	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C[3]-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[3]H)(COO)(H)	C(C[3]C[3]2H)(CCH)(H)	C(CCH)(OC)(O)	C(CC[3]H)(COO)(H)	C(C[3]C[3]2H)(CCH)(H)	C(CCH)(OC)(O)	122.3363	2.310	3	122.3363	5.334	3	122.1422	3.707	4	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C[3]-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[3]H)(COO)(H)	C(C[3]C[3]N[3]H)(CCH)(H)	C(CCH)(OC)(O)	C(CC[3]H)(COO)(H)	C(C[3]C[3]N[3]H)(CCH)(H)	C(CCH)(OC)(O)	121.5600	0.000	1	121.5600	0.000	1	122.1422	3.707	4	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C[4,5x6]-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[4,5x6]H)(COO)(H)	C(C[4,5x6]C[4,4,3x6]C[4,3x6]C[6x6])(CCH)(H)	C(CCH)(OC)(O)	C(CC[4,5x6]H)(COO)(H)	C(C[4,5x6]C[4,4,3x6]C[4,3x6]C[6x6])(CCH)(H)	C(CCH)(OC)(O)	121.8410	2.513	2	121.8410	6.315	2	121.8410	6.315	2	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C[4]-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[4]H)(COO)(H)	C(C[4]C[4]N[4]H)(CCH)(H)	C(CCH)(OC)(O)	C(CC[4]H)(COO)(H)	C(C[4]C[4]N[4]H)(CCH)(H)	C(CCH)(OC)(O)	120.9220	0.000	1	120.9220	0.000	1	120.9220	0.000	1	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C[5,6]-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[5,6]H)(COO)(H)	C(C[5,6]C[5,6]C[6]N[5])(CCH)(H)	C(CCH)(OC)(O)	C(CC[5,6]H)(COO)(H)	C(C[5,6]C[5,6]C[6]N[5])(CCH)(H)	C(CCH)(OC)(O)	128.0060	0.000	1	128.0060	0.000	1	128.0060	0.000	1	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[5]H)(COO)(H)	C(C[5]C[5,5]C[5]H)(CCH)(H)	C(CCH)(OC)(O)	C(CC[5]H)(COO)(H)	C(C[5]C[5,5]C[5]H)(CCH)(H)	C(CCH)(OC)(O)	121.1373	0.870	3	121.1373	0.756	3	122.1468	1.682	23	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[5]H)(COO)(H)	C(C[5]C[5,6]C[5]H)(CCH)(H)	C(CCH)(OC)(O)	C(CC[5]H)(COO)(H)	C(C[5]C[5,6]C[5]H)(CCH)(H)	C(CCH)(OC)(O)	122.9470	0.000	1	122.9470	0.000	1	122.1468	1.682	23	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[5]H)(COO)(H)	C(C[5]C[5,6a]C[5,6]H)(CCH)(H)	C(CCH)(OC)(O)	C(CC[5]H)(COO)(H)	C(C[5]C[5,6a]C[5,6]H)(CCH)(H)	C(CCH)(OC)(O)	122.0435	1.305	2	122.0435	1.702	2	122.1468	1.682	23	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[5]H)(COO)(H)	C(C[5]C[5]2Fe)(CCH)(H)	C(CCH)(OC)(O)	C(CC[5]H)(COO)(H)	C(C[5]C[5]2Fe)(CCH)(H)	C(CCH)(OC)(O)	122.8530	0.000	1	122.8530	0.000	1	122.1468	1.682	23	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[5]H)(COO)(H)	C(C[5]C[5]2Fe)(CCH)(H)	C(CCH)(OH)(O)	C(CC[5]H)(COO)(H)	C(C[5]C[5]2Fe)(CCH)(H)	C(CCH)(OH)(O)	120.8850	0.000	1	120.8850	0.000	1	122.1468	1.682	23	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[5]H)(COO)(H)	C(C[5]C[5]2H)(CCH)(H)	C(CCH)(OC)(O)	C(CC[5]H)(COO)(H)	C(C[5]C[5]2H)(CCH)(H)	C(CCH)(OC)(O)	122.7972	1.913	4	122.7972	3.660	4	122.1468	1.682	23	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[5]H)(COO)(H)	C(C[5]C[5]N[5]H)(CCH)(H)	C(CCH)(OC)(O)	C(CC[5]H)(COO)(H)	C(C[5]C[5]N[5]H)(CCH)(H)	C(CCH)(OC)(O)	121.6110	1.077	7	121.6110	1.161	7	122.1468	1.682	23	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[5]H)(COO)(H)	C(C[5]C[5]O[5]H)(CCH)(H)	C(CCH)(OC)(O)	C(CC[5]H)(COO)(H)	C(C[5]C[5]O[5]H)(CCH)(H)	C(CCH)(OC)(O)	123.1817	0.827	4	123.1817	0.684	4	122.1468	1.682	23	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[6]H)(COO)(H)	C(C[6]C[5,6]C[6]H)(CCH)(H)	C(CCH)(OC)(O)	C(CC[6]H)(COO)(H)	C(C[6]C[5,6]C[6]H)(CCH)(H)	C(CCH)(OC)(O)	120.2150	0.262	2	120.2150	0.068	2	122.9444	13.598	14	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[6]H)(COO)(H)	C(C[6]C[6,6]C[6]C)(CCH)(H)	C(CCH)(OC)(O)	C(CC[6]H)(COO)(H)	C(C[6]C[6,6]C[6]C)(CCH)(H)	C(CCH)(OC)(O)	125.7802	4.953	4	125.7802	24.534	4	122.9444	13.598	14	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[6]H)(COO)(H)	C(C[6]C[6,6]C[6]C)(CCH)(H)	C(CCH)(OH)(O)	C(CC[6]H)(COO)(H)	C(C[6]C[6,6]C[6]C)(CCH)(H)	C(CCH)(OH)(O)	119.2620	0.000	1	119.2620	0.000	1	122.9444	13.598	14	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[6]H)(COO)(H)	C(C[6]C[6]2C)(CCH)(H)	C(CCH)(OH)(O)	C(CC[6]H)(COO)(H)	C(C[6]C[6]2C)(CCH)(H)	C(CCH)(OH)(O)	121.1250	0.546	2	121.1250	0.298	2	122.9444	13.598	14	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[6]H)(COO)(H)	C(C[6]C[6]2H)(CCH)(H)	C(CCH)(OC)(O)	C(CC[6]H)(COO)(H)	C(C[6]C[6]2H)(CCH)(H)	C(CCH)(OC)(O)	125.3037	1.124	3	125.3037	1.264	3	122.9444	13.598	14	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[6]H)(COO)(H)	C(C[6]C[6]2O)(CCH)(H)	C(CCH)(OH)(O)	C(CC[6]H)(COO)(H)	C(C[6]C[6]2O)(CCH)(H)	C(CCH)(OH)(O)	120.5800	0.000	1	120.5800	0.000	1	122.9444	13.598	14	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[6]H)(COO)(H)	C(C[6]C[6]O[6]H)(CCH)(H)	C(CCH)(OC)(O)	C(CC[6]H)(COO)(H)	C(C[6]C[6]O[6]H)(CCH)(H)	C(CCH)(OC)(O)	119.6680	0.000	1	119.6680	0.000	1	122.9444	13.598	14	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	N-4:C-3:H-1:	C-3:C-2:H-1:	C(CCH)(CHN)(H)	C(NC3)(CCH)(H)	C(CCH)(CH)(H)	C(CCH)(CHN)(H)	C(NC3)(CCH)(H)	C(CCH)(CH)(H)	127.4960	0.000	1	127.4960	0.000	1	127.4960	0.000	1	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	N-4:C-3:H-1:	C-3:O-2:O-1:	C(CHN)(COO)(H)	C(NC3)(CCH)(H)	C(CCH)(OC)(O)	C(CHN)(COO)(H)	C(NC3)(CCH)(H)	C(CCH)(OC)(O)	119.3380	0.000	1	119.3380	0.000	1	119.3380	0.000	1	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	N[5]-4:C-3:H-1:	C-3:O-2:O-1:	C(CN[5]H)(COO)(H)	C(N[5]C[5]2O)(CCH)(H)	C(CCH)(OC)(O)	C(CN[5]H)(COO)(H)	C(N[5]C[5]2O)(CCH)(H)	C(CCH)(OC)(O)	121.8550	0.000	1	121.8550	0.000	1	121.8550	0.000	1	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:H-1:	P[4]-4:C-3:H-1:	C-3:O-2:O-1:	C(CP[4]H)(COO)(H)	C(P[4]N[4]2N)(CCH)(H)	C(CCH)(OC)(O)	C(CP[4]H)(COO)(H)	C(P[4]N[4]2N)(CCH)(H)	C(CCH)(OC)(O)	122.3930	0.000	1	122.3930	0.000	1	122.3930	0.000	1	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:1:	C-3:C-3:I-1:	C-4:C-3:H-1:	C-3:N-2:H-1:	C(CCH)(CHN)(I)	C(CCHH)(CCI)(H)	C(CCI)(NN)(H)	C(CCH)(CHN)(I)	C(CCHH)(CCI)(H)	C(CCI)(NN)(H)	121.5460	0.000	1	121.5460	0.000	1	121.5460	0.000	1	122.7949	6.699	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:2:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:N-2:O-2:	C(CCH)(CNO)(H)	C(CCHO)(CCH)(H)	C(CCH)(NC)(OC)	C(CCH)(CNO)(H)	C(CCHO)(CCH)(H)	C(CCH)(NC)(OC)	130.2410	0.000	1	130.2410	0.000	1	130.2410	0.000	1	124.7237	3.323	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:2:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:O-2:O-2:	C(CCH)(COO)(H)	C(CH3)(CCH)(H)	C(CCH)(OZn)2	C(CCH)(COO)(H)	C(CH3)(CCH)(H)	C(CCH)(OZn)2	123.5620	0.198	2	123.5620	0.039	2	123.5620	0.039	2	124.7237	3.323	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:2:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:S-2:S-2:	C(CCO)(CSS)(H)	C(CCOO)(CCH)(O)	C(CCH)(SC)2	C(CCO)(CSS)(H)	C(CCOO)(CCH)(O)	C(CCH)(SC)2	122.9710	0.000	1	122.9710	0.000	1	122.9710	0.000	1	124.7237	3.323	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:2:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	C-3:S-2:S-2:	C(CC[5]O)(CSS)(H)	C(C[5]C[5,5]C[5]H)(CCH)(O)	C(CCH)(SC)2	C(CC[5]O)(CSS)(H)	C(C[5]C[5,5]C[5]H)(CCH)(O)	C(CCH)(SC)2	124.6642	0.753	5	124.6642	0.566	5	124.5636	0.424	9	124.7237	3.323	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:2:2:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	C-3:S-2:S-2:	C(CC[5]O)(CSS)(H)	C(C[5]C[5]2Fe)(CCH)(O)	C(CCH)(SC)2	C(CC[5]O)(CSS)(H)	C(C[5]C[5]2Fe)(CCH)(O)	C(CCH)(SC)2	124.4377	0.582	4	124.4377	0.338	4	124.5636	0.424	9	124.7237	3.323	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:Br-1:	C-4:C-3:Br-1:	C-3:C-3:Br-1:	C(CBrC)2(Br)	C(CN[5]HH)(CBrC)(Br)	C(CBrC)2(Br)	C(CBrC)2(Br)	C(CN[5]HH)(CBrC)(Br)	C(CBrC)2(Br)	127.4930	0.000	1	127.4930	0.000	1	127.4930	0.000	1	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:Br-1:	C-4:C-3:H-1:	C-3:N-3:O-1:	C(CCH)(CNO)(Br)	C(CCHH)(CBrC)(H)	C(CBrC)(NCS)(O)	C(CCH)(CNO)(Br)	C(CCHH)(CBrC)(H)	C(CBrC)(NCS)(O)	125.0790	0.000	1	125.0790	0.000	1	125.0790	0.000	1	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:Br-1:	C-4:C-3:O-1:	C-3:C-3:H-1:	C(CCH)(CCO)(Br)	C(CC[5]HH)(CBrC)(O)	C(CN[5]O)(CBrC)(H)	C(CCH)(CCO)(Br)	C(CC[5]HH)(CBrC)(O)	C(CN[5]O)(CBrC)(H)	128.5035	0.005	2	128.5035	0.000	2	128.5035	0.000	2	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:Br-1:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(Br)	C(C[5]C[5]2H)(CBrC)(H)	C(CBrC)(CCH)(H)	C(CC[5]H)(CCH)(Br)	C(C[5]C[5]2H)(CBrC)(H)	C(CBrC)(CCH)(H)	127.1280	0.000	1	127.1280	0.000	1	127.1280	0.000	1	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:Cl-1:	C-4:C-3:Cl-1:	C-3:C-3:Cl-1:	C(CClC)2(Cl)	C(CN[5]HH)(CClC)(Cl)	C(CClC)2(Cl)	C(CClC)2(Cl)	C(CN[5]HH)(CClC)(Cl)	C(CClC)2(Cl)	125.8250	0.000	1	125.8250	0.000	1	125.8250	0.000	1	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:Cl-1:	C-4:C-3:H-1:	C-3:N-3:O-1:	C(CCH)(CNO)(Cl)	C(CCHH)(CClC)(H)	C(CClC)(NCS)(O)	C(CCH)(CNO)(Cl)	C(CCHH)(CClC)(H)	C(CClC)(NCS)(O)	125.0600	0.000	1	125.0600	0.000	1	125.0600	0.000	1	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:Cl-1:	C-3:C-3:H-1:	C(CClC)(CCH)(H)	C(CCCH)(CCH)(Cl)	C(CCC)(CCH)(H)	C(CClC)(CCH)(H)	C(CCCH)(CCH)(Cl)	C(CCC)(CCH)(H)	122.9675	0.121	2	122.9675	0.015	2	124.0943	3.817	3	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:Cl-1:	C-3:C-3:H-1:	C(CClC)(CCH)(H)	C(CC[6a]HH)(CCH)(Cl)	C(CClC)(CCH)(H)	C(CClC)(CCH)(H)	C(CC[6a]HH)(CCH)(Cl)	C(CClC)(CCH)(H)	126.3480	0.000	1	126.3480	0.000	1	124.0943	3.817	3	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC3)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CC3)(CCH)(H)	C(CCH)2(H)	131.2985	0.853	2	131.2985	0.728	2	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CCCH)(CCH)(H)	C(CCC)(CCH)(H)	C(CCH)2(H)	C(CCCH)(CCH)(H)	C(CCC)(CCH)(H)	123.9060	2.278	9	123.9060	5.190	9	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CCCH)(CCH)(H)	C(CCH)(CCN)(H)	C(CCH)2(H)	C(CCCH)(CCH)(H)	C(CCH)(CCN)(H)	120.2210	0.000	1	120.2210	0.000	1	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CCCH)(CCH)(H)	C(CCH)(CCS)(H)	C(CCH)2(H)	C(CCCH)(CCH)(H)	C(CCH)(CCS)(H)	128.2280	0.000	1	128.2280	0.000	1	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CCCH)(CCH)(H)	C(CCH)(CHH)(H)	C(CCH)2(H)	C(CCCH)(CCH)(H)	C(CCH)(CHH)(H)	124.6530	0.000	1	124.6530	0.000	1	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CCCH)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CCCH)(CCH)(H)	C(CCH)2(H)	125.4386	0.942	16	125.4386	0.887	16	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CCHH)(CCH)(H)	C(CCC)(CCH)(H)	C(CCH)2(H)	C(CCHH)(CCH)(H)	C(CCC)(CCH)(H)	123.8043	1.793	3	123.8043	3.216	3	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CCHH)(CCH)(H)	C(CCH)(CHH)(H)	C(CCH)2(H)	C(CCHH)(CCH)(H)	C(CCH)(CHH)(H)	124.5130	0.000	1	124.5130	0.000	1	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CCHH)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CCHH)(CCH)(H)	C(CCH)2(H)	126.1925	2.350	13	126.1925	5.521	13	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CCHN)(CCH)(H)	C(CCH)(CCN)(H)	C(CCH)2(H)	C(CCHN)(CCH)(H)	C(CCH)(CCN)(H)	123.0740	0.000	1	123.0740	0.000	1	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CCHO)(CCH)(H)	C(CCC)(CCH)(H)	C(CCH)2(H)	C(CCHO)(CCH)(H)	C(CCC)(CCH)(H)	125.3085	1.962	4	125.3085	3.851	4	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CCHO)(CCH)(H)	C(CCH)(CCO)(H)	C(CCH)2(H)	C(CCHO)(CCH)(H)	C(CCH)(CCO)(H)	131.1880	0.000	1	131.1880	0.000	1	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CCHO)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CCHO)(CCH)(H)	C(CCH)2(H)	125.3227	2.838	3	125.3227	8.055	3	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CCOW)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CCOW)(CCH)(H)	C(CCH)2(H)	129.6182	0.229	4	129.6182	0.052	4	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[4]HH)(CCH)(H)	C(CC[4]H)(CCH)(H)	C(CCH)2(H)	C(CC[4]HH)(CCH)(H)	C(CC[4]H)(CCH)(H)	125.0880	1.205	2	125.0880	1.452	2	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[5]CH)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CC[5]CH)(CCH)(H)	C(CCH)2(H)	128.5270	0.000	1	128.5270	0.000	1	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[5]HH)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CC[5]HH)(CCH)(H)	C(CCH)2(H)	123.9767	1.007	8	123.9767	1.015	8	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[5]HH)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(CCH)2(H)	C(CC[5]HH)(CCH)(H)	C(CC[5]H)(CCH)(H)	127.8610	0.000	1	127.8610	0.000	1	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[5]HH)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(CCH)2(H)	C(CC[5]HH)(CCH)(H)	C(CC[6a]H)(CCH)(H)	125.5300	0.378	2	125.5300	0.143	2	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[5]HO)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CC[5]HO)(CCH)(H)	C(CCH)2(H)	133.1680	0.000	1	133.1680	0.000	1	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[5x3,5x5,20x6]CH)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CC[5x3,5x5,20x6]CH)(CCH)(H)	C(CCH)2(H)	124.6075	0.047	2	124.6075	0.002	2	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6]CH)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CC[6]CH)(CCH)(H)	C(CCH)2(H)	124.8487	0.826	4	124.8487	0.682	4	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6]CH)(CCH)(H)	C(CC[4]C)(CCH)(H)	C(CCH)2(H)	C(CC[6]CH)(CCH)(H)	C(CC[4]C)(CCH)(H)	128.5770	0.000	1	128.5770	0.000	1	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6]CH)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(CCH)2(H)	C(CC[6]CH)(CCH)(H)	C(CC[6]H)(CCH)(H)	126.1280	0.000	1	126.1280	0.000	1	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6]HH)(CCH)(H)	C(CCC)(CCH)(H)	C(CCH)2(H)	C(CC[6]HH)(CCH)(H)	C(CCC)(CCH)(H)	123.0870	0.000	1	123.0870	0.000	1	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6]HH)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(CCH)2(H)	C(CC[6]HH)(CCH)(H)	C(CC[6]H)(CCH)(H)	124.9430	0.000	1	124.9430	0.000	1	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6a]CH)(CCH)(H)	C(CCH)(CHH)(H)	C(CCH)2(H)	C(CC[6a]CH)(CCH)(H)	C(CCH)(CHH)(H)	127.7560	0.000	1	127.7560	0.000	1	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6a]HH)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CC[6a]HH)(CCH)(H)	C(CCH)2(H)	123.6630	0.000	1	123.6630	0.000	1	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CC[6a]MoC)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CC[6a]MoC)(CCH)(H)	C(CCH)2(H)	128.4860	0.000	1	128.4860	0.000	1	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CFHH)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CFHH)(CCH)(H)	C(CCH)2(H)	122.4830	0.000	1	122.4830	0.000	1	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CFeCH)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CFeCH)(CCH)(H)	C(CCH)2(H)	131.2469	0.589	10	131.2469	0.347	10	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CGaCH)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CGaCH)(CCH)(H)	C(CCH)2(H)	128.3610	0.000	1	128.3610	0.000	1	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CH3)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CH3)(CCH)(H)	C(CCH)2(H)	124.8168	3.343	26	124.8168	11.174	26	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CHHN)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CHHN)(CCH)(H)	C(CCH)2(H)	129.0965	0.620	4	129.0965	0.384	4	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CHHO)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CHHO)(CCH)(H)	C(CCH)2(H)	128.8935	6.693	2	128.8935	44.793	2	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CHHP)(CCH)(H)	C(CCH)(CHO)(H)	C(CCH)2(H)	C(CHHP)(CCH)(H)	C(CCH)(CHO)(H)	123.8365	0.784	2	123.8365	0.615	2	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CMoCH)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CMoCH)(CCH)(H)	C(CCH)2(H)	127.4420	0.000	1	127.4420	0.000	1	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CN[5]HH)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(CCH)2(H)	C(CN[5]HH)(CCH)(H)	C(CC[5]H)(CCH)(H)	128.5780	0.000	1	128.5780	0.000	1	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(H)	C(CRuCH)(CCH)(H)	C(CCH)2(H)	C(CCH)2(H)	C(CRuCH)(CCH)(H)	C(CCH)2(H)	132.2687	1.976	6	132.2687	3.906	6	126.3248	10.811	142	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:O-1:	C(CCH)(CCO)(H)	C(CC3)(CCH)(H)	C(CCC)(CCH)(O)	C(CCH)(CCO)(H)	C(CC3)(CCH)(H)	C(CCC)(CCH)(O)	122.2980	2.833	2	122.2980	8.024	2	122.0003	4.278	3	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:O-1:	C(CCH)(CCO)(H)	C(CCHH)(CCH)(H)	C(CClC)(CCH)(O)	C(CCH)(CCO)(H)	C(CCHH)(CCH)(H)	C(CClC)(CCH)(O)	121.4050	0.000	1	121.4050	0.000	1	122.0003	4.278	3	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:N-3:O-1:	C(CCH)(CNO)(H)	C(CCCH)(CCH)(H)	C(CCH)(NCH)(O)	C(CCH)(CNO)(H)	C(CCCH)(CCH)(H)	C(CCH)(NCH)(O)	122.2000	0.000	1	122.2000	0.000	1	122.1597	6.563	19	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:N-3:O-1:	C(CCH)(CNO)(H)	C(CCFH)(CCH)(H)	C(CCH)(NCH)(O)	C(CCH)(CNO)(H)	C(CCFH)(CCH)(H)	C(CCH)(NCH)(O)	121.1130	0.416	2	121.1130	0.173	2	122.1597	6.563	19	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:N-3:O-1:	C(CCH)(CNO)(H)	C(CCHH)(CCH)(H)	C(CCH)(NCC)(O)	C(CCH)(CNO)(H)	C(CCHH)(CCH)(H)	C(CCH)(NCC)(O)	121.3840	0.000	1	121.3840	0.000	1	122.1597	6.563	19	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:N-3:O-1:	C(CCH)(CNO)(H)	C(CCHH)(CCH)(H)	C(CCH)(NCH)(O)	C(CCH)(CNO)(H)	C(CCHH)(CCH)(H)	C(CCH)(NCH)(O)	131.3040	0.000	1	131.3040	0.000	1	122.1597	6.563	19	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:N-3:O-1:	C(CCH)(CNO)(H)	C(CCHN)(CCH)(H)	C(CCH)(NCC)(O)	C(CCH)(CNO)(H)	C(CCHN)(CCH)(H)	C(CCH)(NCC)(O)	121.2230	0.000	1	121.2230	0.000	1	122.1597	6.563	19	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:N-3:O-1:	C(CCH)(CNO)(H)	C(CCHN)(CCH)(H)	C(CCH)(NCH)(O)	C(CCH)(CNO)(H)	C(CCHN)(CCH)(H)	C(CCH)(NCH)(O)	122.0267	0.931	11	122.0267	0.868	11	122.1597	6.563	19	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:N-3:O-1:	C(CCH)(CNO)(H)	C(CCHO)(CCH)(H)	C(CCH)(NCH)(O)	C(CCH)(CNO)(H)	C(CCHO)(CCH)(H)	C(CCH)(NCH)(O)	122.8590	0.000	1	122.8590	0.000	1	122.1597	6.563	19	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:N-3:O-1:	C(CCH)(CNO)(H)	C(CC[5]HO)(CCH)(H)	C(CCH)(NCH)(O)	C(CCH)(CNO)(H)	C(CC[5]HO)(CCH)(H)	C(CCH)(NCH)(O)	117.5440	0.000	1	117.5440	0.000	1	122.1597	6.563	19	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	N-3:C-3:O-1:	C(CCH)(CNO)(H)	C(CN[5]CH)(CCH)(H)	C(NC[6a]H)(CCH)(O)	C(CCH)(CNO)(H)	C(CN[5]CH)(CCH)(H)	C(NC[6a]H)(CCH)(O)	122.0470	0.000	1	122.0470	0.000	1	122.0470	0.000	1	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:C-3:Br-1:	C(CBrC)(CCO)(H)	C(CC[5]HH)(CCH)(O)	C(CN[5]O)(CCH)(Br)	C(CBrC)(CCO)(H)	C(CC[5]HH)(CCH)(O)	C(CN[5]O)(CCH)(Br)	125.6490	0.000	1	125.6490	0.000	1	125.6490	0.000	1	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CCHH)(CCH)(O)	C(CCH)(CCO)(H)	C(CCH)(CCO)(H)	C(CCHH)(CCH)(O)	C(CCH)(CCO)(H)	121.8925	0.162	2	121.8925	0.026	2	123.3375	4.911	13	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CCHH)(CCH)(O)	C(CCH)2(H)	C(CCH)(CCO)(H)	C(CCHH)(CCH)(O)	C(CCH)2(H)	121.7590	0.697	2	121.7590	0.486	2	123.3375	4.911	13	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CCHO)(CCH)(O)	C(CCH)(COO)(H)	C(CCH)(CCO)(H)	C(CCHO)(CCH)(O)	C(CCH)(COO)(H)	120.6990	0.000	1	120.6990	0.000	1	123.3375	4.911	13	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CF3)(CCH)(O)	C(CCH)2(H)	C(CCH)(CCO)(H)	C(CF3)(CCH)(O)	C(CCH)2(H)	121.1120	0.816	2	121.1120	0.666	2	123.3375	4.911	13	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CH3)(CCH)(O)	C(CCH)2(H)	C(CCH)(CCO)(H)	C(CH3)(CCH)(O)	C(CCH)2(H)	125.3175	1.114	2	125.3175	1.240	2	123.3375	4.911	13	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CHHN)(CCH)(O)	C(CCH)2(H)	C(CCH)(CCO)(H)	C(CHHN)(CCH)(O)	C(CCH)2(H)	125.6315	0.730	4	125.6315	0.533	4	123.3375	4.911	13	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:N-3:H-1:	C(CCO)(CHN)(H)	C(CCFF)(CCH)(O)	C(CCH)(NCH)(H)	C(CCO)(CHN)(H)	C(CCFF)(CCH)(O)	C(CCH)(NCH)(H)	121.3460	0.000	1	121.3460	0.000	1	120.5430	1.290	2	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:N-3:H-1:	C(CCO)(CHN)(H)	C(CCHH)(CCH)(O)	C(CCH)(NCC)(H)	C(CCO)(CHN)(H)	C(CCHH)(CCH)(O)	C(CCH)(NCC)(H)	119.7400	0.000	1	119.7400	0.000	1	120.5430	1.290	2	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[3]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[3]H)(CCH)(H)	C(C[3]C[3]P[3]H)(CCH)(H)	C(CCH)2(H)	C(CC[3]H)(CCH)(H)	C(C[3]C[3]P[3]H)(CCH)(H)	C(CCH)2(H)	129.5220	0.076	2	129.5220	0.006	2	129.5220	0.006	2	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[3x6]-4:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[3x6]O)(CC[6a]H)(H)	C(C[3x6]C[6,6]3)(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[3x6]O)(CC[6a]H)(H)	C(C[3x6]C[6,6]3)(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	118.9670	0.000	1	118.9670	0.000	1	118.9670	0.000	1	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[4]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[4]H)(CCH)(H)	C(C[4]C[4]2H)(CCH)(H)	C(CCH)2(H)	C(CC[4]H)(CCH)(H)	C(C[4]C[4]2H)(CCH)(H)	C(CCH)2(H)	127.9417	2.236	10	127.9417	4.998	10	127.9417	4.998	10	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5,5,6]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[5,5,6]H)(CCH)(H)	C(C[5,5,6]C[5,6]2O[5,5])(CCH)(H)	C(CCH)(CHH)(H)	C(CC[5,5,6]H)(CCH)(H)	C(C[5,5,6]C[5,6]2O[5,5])(CCH)(H)	C(CCH)(CHH)(H)	124.4450	0.000	1	124.4450	0.000	1	124.4450	0.000	1	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5,6]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[5,6]H)(CCH)(H)	C(C[5,6]C[5,5,6]C[5,6,6]H)(CCH)(H)	C(CC[6,6]H)(CCH)(H)	C(CC[5,6]H)(CCH)(H)	C(C[5,6]C[5,5,6]C[5,6,6]H)(CCH)(H)	C(CC[6,6]H)(CCH)(H)	129.3255	0.359	2	129.3255	0.129	2	130.0137	1.485	3	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5,6]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[5,6]H)(CCH)(H)	C(C[5,6]C[5,5,6]C[5,6]C)(CCH)(H)	C(CC[5]C)(CCH)(H)	C(CC[5,6]H)(CCH)(H)	C(C[5,6]C[5,5,6]C[5,6]C)(CCH)(H)	C(CC[5]C)(CCH)(H)	131.3900	0.000	1	131.3900	0.000	1	130.0137	1.485	3	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5,6]-4:C-3:O-1:	C-3:C-3:H-1:	C(CC[5,6]O)(CCH)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCH)(O)	C(CCH)(CCO)(H)	C(CC[5,6]O)(CCH)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCH)(O)	C(CCH)(CCO)(H)	120.0290	0.000	1	120.0290	0.000	1	120.0290	0.000	1	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5,6]-4:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[5,6]O)(CC[6a]H)(H)	C(C[5,6]C[5,5,6]2H)(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[5,6]O)(CC[6a]H)(H)	C(C[5,6]C[5,5,6]2H)(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	122.2850	0.000	1	122.2850	0.000	1	122.2850	0.000	1	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:C-3:Br-1:	C(CC[5]H)(CBrC)(H)	C(C[5]C[6a]C[5]2)(CCH)(H)	C(CCH)2(Br)	C(CC[5]H)(CBrC)(H)	C(C[5]C[6a]C[5]2)(CCH)(H)	C(CCH)2(Br)	126.4760	0.000	1	126.4760	0.000	1	126.4760	0.000	1	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:C-3:Cl-1:	C(CC[5]H)(CClC)(H)	C(C[5]C[5]2C)(CCH)(H)	C(CCH)2(Cl)	C(CC[5]H)(CClC)(H)	C(C[5]C[5]2C)(CCH)(H)	C(CCH)2(Cl)	124.4850	0.000	1	124.4850	0.000	1	124.8875	0.324	2	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:C-3:Cl-1:	C(CC[5]H)(CClC)(H)	C(C[5]C[5]2H)(CCH)(H)	C(CCH)2(Cl)	C(CC[5]H)(CClC)(H)	C(C[5]C[5]2H)(CCH)(H)	C(CCH)2(Cl)	125.2900	0.000	1	125.2900	0.000	1	124.8875	0.324	2	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6]C[5]H)(CCH)(H)	C(CCH)(CHH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6]C[5]H)(CCH)(H)	C(CCH)(CHH)(H)	125.5460	0.112	2	125.5460	0.012	2	126.3327	7.554	48	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6]C[5]H)(CCH)(H)	C(CCH)2(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6]C[5]H)(CCH)(H)	C(CCH)2(H)	125.9100	0.000	1	125.9100	0.000	1	126.3327	7.554	48	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6a]C[5]N)(CCH)(H)	C(CCH)2(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6a]C[5]N)(CCH)(H)	C(CCH)2(H)	124.7230	0.000	1	124.7230	0.000	1	126.3327	7.554	48	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6a]C[6a]N[5])(CCH)(H)	C(CCH)2(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5,6a]C[6a]N[5])(CCH)(H)	C(CCH)2(H)	131.2870	0.000	1	131.2870	0.000	1	126.3327	7.554	48	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2C)(CCH)(H)	C(CCH)2(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2C)(CCH)(H)	C(CCH)2(H)	131.5620	0.000	1	131.5620	0.000	1	126.3327	7.554	48	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2C)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2C)(CCH)(H)	C(CC[5]H)(CCH)(H)	130.0350	0.000	1	130.0350	0.000	1	126.3327	7.554	48	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2Fe)(CCH)(H)	C(CCH)(CHH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2Fe)(CCH)(H)	C(CCH)(CHH)(H)	124.9480	0.000	1	124.9480	0.000	1	126.3327	7.554	48	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2Fe)(CCH)(H)	C(CCH)2(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2Fe)(CCH)(H)	C(CCH)2(H)	121.7955	2.128	4	121.7955	4.527	4	126.3327	7.554	48	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2H)(CCH)(H)	C(CCH)2(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2H)(CCH)(H)	C(CCH)2(H)	126.2381	1.298	21	126.2381	1.684	21	126.3327	7.554	48	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2H)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2H)(CCH)(H)	C(CC[5]H)(CCH)(H)	129.2740	0.762	4	129.2740	0.581	4	126.3327	7.554	48	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2H)(CCH)(H)	C(CC[6a]C)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2H)(CCH)(H)	C(CC[6a]C)(CCH)(H)	127.5410	0.000	1	127.5410	0.000	1	126.3327	7.554	48	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2Ru)(CCH)(H)	C(CCH)2(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2Ru)(CCH)(H)	C(CCH)2(H)	123.2820	2.396	2	123.2820	5.739	2	126.3327	7.554	48	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2Si)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]2Si)(CCH)(H)	C(CC[5]H)(CCH)(H)	130.0920	0.000	1	130.0920	0.000	1	126.3327	7.554	48	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]O[5]C)(CCH)(H)	C(CCH)2(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]O[5]C)(CCH)(H)	C(CCH)2(H)	123.3875	1.766	2	123.3875	3.118	2	126.3327	7.554	48	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]O[5]H)(CCH)(H)	C(CCH)2(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]O[5]H)(CCH)(H)	C(CCH)2(H)	122.7450	0.000	1	122.7450	0.000	1	126.3327	7.554	48	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[5]P[5]H)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[5]P[5]H)(CCH)(H)	C(CC[5]H)(CCH)(H)	130.9690	0.676	2	130.9690	0.457	2	126.3327	7.554	48	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]C[6a]C[5]2)(CCH)(H)	C(CCH)2(H)	C(CC[5]H)(CCH)(H)	C(C[5]C[6a]C[5]2)(CCH)(H)	C(CCH)2(H)	127.1410	0.000	1	127.1410	0.000	1	126.3327	7.554	48	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(H)	C(C[5]N[5]O[5]H)(CCH)(H)	C(CCH)2(H)	C(CC[5]H)(CCH)(H)	C(C[5]N[5]O[5]H)(CCH)(H)	C(CCH)2(H)	126.3400	0.000	1	126.3400	0.000	1	126.3327	7.554	48	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:N-3:O-1:	C(CC[5]H)(CNO)(H)	C(C[5]C[5]2Fe)(CCH)(H)	C(CCH)(NCC)(O)	C(CC[5]H)(CNO)(H)	C(C[5]C[5]2Fe)(CCH)(H)	C(CCH)(NCC)(O)	119.4610	0.000	1	119.4610	0.000	1	119.4610	0.000	1	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C[5]-3:C-3:H-1:	C(CC[5]H)2(H)	C(C[5]C[5]2O)(CCH)(H)	C(C[5]C[5]2)(CCH)(H)	C(CC[5]H)2(H)	C(C[5]C[5]2O)(CCH)(H)	C(C[5]C[5]2)(CCH)(H)	131.4480	0.000	1	131.4480	0.000	1	131.4480	0.000	1	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:O-1:	C(CC[6a]O)(CC[5]H)(H)	C(C[5]C[5]2Fe)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]O)(CC[5]H)(H)	C(C[5]C[5]2Fe)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	121.5057	0.763	6	121.5057	0.582	6	121.5057	0.582	6	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	C-3:C-3:H-1:	C(CC[5]O)(CCH)(H)	C(C[5]C[5,6a]C[5]N)(CCH)(O)	C(CCC)(CCH)(H)	C(CC[5]O)(CCH)(H)	C(C[5]C[5,6a]C[5]N)(CCH)(O)	C(CCC)(CCH)(H)	119.3630	0.000	1	119.3630	0.000	1	123.5950	35.428	3	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	C-3:C-3:H-1:	C(CC[5]O)(CCH)(H)	C(C[5]C[5]2C)(CCH)(O)	C(CBrC)(CCH)(H)	C(CC[5]O)(CCH)(H)	C(C[5]C[5]2C)(CCH)(O)	C(CBrC)(CCH)(H)	130.4010	0.000	1	130.4010	0.000	1	123.5950	35.428	3	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	C-3:C-3:H-1:	C(CC[5]O)(CCH)(H)	C(C[5]C[5]2Fe)(CCH)(O)	C(CCH)2(H)	C(CC[5]O)(CCH)(H)	C(C[5]C[5]2Fe)(CCH)(O)	C(CCH)2(H)	121.0210	0.000	1	121.0210	0.000	1	123.5950	35.428	3	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	C[5a]-3:C-3:H-1:	C(CC[5a]H)(CC[5]O)(H)	C(C[5]C[5,5]C[5]H)(CCH)(O)	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CC[5a]H)(CC[5]O)(H)	C(C[5]C[5,5]C[5]H)(CCH)(O)	C(C[5a]C[5a]S[5a])(CCH)(H)	125.9190	0.000	1	125.9190	0.000	1	125.9190	0.000	1	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CC[5]O)(H)	C(C[5]C[5,5]C[5]H)(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[5]O)(H)	C(C[5]C[5,5]C[5]H)(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	123.6767	2.224	3	123.6767	4.947	3	122.4270	2.750	8	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CC[5]O)(H)	C(C[5]C[5]2Fe)(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[6a]H)(CC[5]O)(H)	C(C[5]C[5]2Fe)(CCH)(O)	C(C[6a]C[6a]2)(CCH)(H)	121.6772	0.682	5	121.6772	0.466	5	122.4270	2.750	8	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[6,6]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[6,6]H)(CCH)(H)	C(C[6,6]C[5,6,6]2H)(CCH)(H)	C(CC[5,6]H)(CCH)(H)	C(CC[6,6]H)(CCH)(H)	C(C[6,6]C[5,6,6]2H)(CCH)(H)	C(CC[5,6]H)(CCH)(H)	129.5865	0.433	2	129.5865	0.188	2	129.3628	1.947	4	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[6,6]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[6,6]H)(CCH)(H)	C(C[6,6]C[5,6,6]C[6]O[6])(CCH)(H)	C(CCH)(CHO)(H)	C(CC[6,6]H)(CCH)(H)	C(C[6,6]C[5,6,6]C[6]O[6])(CCH)(H)	C(CCH)(CHO)(H)	127.4880	0.000	1	127.4880	0.000	1	129.3628	1.947	4	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[6,6]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[6,6]H)(CCH)(H)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(CC[6,6]H)(CCH)(H)	C(C[6,6]C[6,6]C[6]2)(CCH)(H)	C(CC[6]H)(CCH)(H)	130.7900	0.000	1	130.7900	0.000	1	129.3628	1.947	4	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[6,6]-4:C-3:H-1:	C[6a]-3:C-3:O-1:	C(CC[6,6]H)(CC[6a]O)(H)	C(C[6,6]C[3x6]2H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6,6]H)(CC[6a]O)(H)	C(C[6,6]C[3x6]2H)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	124.6800	0.000	1	124.6800	0.000	1	124.6800	0.000	1	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCH)(H)	C(C[6]C[5,6]C[6]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[5,6]C[6]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	130.3020	0.000	1	130.3020	0.000	1	127.4139	8.172	31	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCH)(H)	C(C[6]C[6,6]C[6]H)(CCH)(H)	C(CCH)2(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6,6]C[6]H)(CCH)(H)	C(CCH)2(H)	125.2343	0.920	3	125.2343	0.847	3	127.4139	8.172	31	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCH)(H)	C(C[6]C[6,6a]N[6]C)(CCH)(H)	C(CCH)2(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6,6a]N[6]C)(CCH)(H)	C(CCH)2(H)	123.5310	0.000	1	123.5310	0.000	1	127.4139	8.172	31	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2C)(CCH)(H)	C(CC[5]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2C)(CCH)(H)	C(CC[5]H)(CCH)(H)	125.9060	0.000	1	125.9060	0.000	1	127.4139	8.172	31	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2Cl)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2Cl)(CCH)(H)	C(CC[6]H)(CCH)(H)	130.7150	0.000	1	130.7150	0.000	1	127.4139	8.172	31	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2H)(CCH)(H)	C(CB[5]C)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2H)(CCH)(H)	C(CB[5]C)(CCH)(H)	121.9170	0.000	1	121.9170	0.000	1	127.4139	8.172	31	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2H)(CCH)(H)	C(CCH)2(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2H)(CCH)(H)	C(CCH)2(H)	125.3975	1.462	6	125.3975	2.138	6	127.4139	8.172	31	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2H)(CCH)(H)	C(CC[6,6]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2H)(CCH)(H)	C(CC[6,6]H)(CCH)(H)	126.9610	0.000	1	126.9610	0.000	1	127.4139	8.172	31	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2H)(CCH)(H)	C(CC[6]C)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2H)(CCH)(H)	C(CC[6]C)(CCH)(H)	130.2127	0.470	3	130.2127	0.220	3	127.4139	8.172	31	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2H)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2H)(CCH)(H)	C(CC[6]H)(CCH)(H)	129.8799	0.266	7	129.8799	0.071	7	127.4139	8.172	31	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2H)(CCH)(H)	C(CC[6a]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]2H)(CCH)(H)	C(CC[6a]H)(CCH)(H)	123.0390	0.000	1	123.0390	0.000	1	127.4139	8.172	31	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCH)(H)	C(C[6]C[6]N[6]H)(CCH)(H)	C(CCH)2(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]N[6]H)(CCH)(H)	C(CCH)2(H)	124.1150	0.000	1	124.1150	0.000	1	127.4139	8.172	31	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCH)(H)	C(C[6]C[6]O[6]C)(CCH)(H)	C(CCC)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6]O[6]C)(CCH)(H)	C(CCC)(CCH)(H)	124.9290	0.000	1	124.9290	0.000	1	127.4139	8.172	31	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCH)(H)	C(C[6]C[6a]C[6]2)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(CC[6]H)(CCH)(H)	C(C[6]C[6a]C[6]2)(CCH)(H)	C(CC[6]H)(CCH)(H)	129.3680	0.000	1	129.3680	0.000	1	127.4139	8.172	31	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCH)(H)	C(C[6]N[6]2C)(CCH)(H)	C(CCH)2(H)	C(CC[6]H)(CCH)(H)	C(C[6]N[6]2C)(CCH)(H)	C(CCH)2(H)	130.5810	0.330	2	130.5810	0.109	2	127.4139	8.172	31	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:N-3:O-1:	C(CC[6]H)(CNO)(H)	C(C[6]C[6,6]C[6]H)(CCH)(H)	C(CCH)(NCH)(O)	C(CC[6]H)(CNO)(H)	C(C[6]C[6,6]C[6]H)(CCH)(H)	C(CCH)(NCH)(O)	120.7870	0.000	1	120.7870	0.000	1	121.1230	0.226	2	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:N-3:O-1:	C(CC[6]H)(CNO)(H)	C(C[6]C[6]O[6]C)(CCH)(H)	C(CCH)(NCH)(O)	C(CC[6]H)(CNO)(H)	C(C[6]C[6]O[6]C)(CCH)(H)	C(CCH)(NCH)(O)	121.4590	0.000	1	121.4590	0.000	1	121.1230	0.226	2	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C[6a]-3:C-3:O-1:	C(CC[6a]O)(CC[6]H)(H)	C(C[6]C[6,6a]C[6]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]O)(CC[6]H)(H)	C(C[6]C[6,6a]C[6]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	125.2465	0.060	2	125.2465	0.004	2	125.2465	0.004	2	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	P-4:C-3:F-1:	C-3:C-3:H-1:	C(CCH)(CFP)(H)	C(PC[6a]2C)(CCH)(F)	C(CCH)(CFP)(H)	C(CCH)(CFP)(H)	C(PC[6a]2C)(CCH)(F)	C(CCH)(CFP)(H)	122.6420	0.000	1	122.6420	0.000	1	122.6420	0.000	1	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	S-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)(CHS)(H)	C(SCOO)(CCH)(H)	C(CCH)(CHH)(H)	C(CCH)(CHS)(H)	C(SCOO)(CCH)(H)	C(CCH)(CHH)(H)	123.6390	0.000	1	123.6390	0.000	1	122.3900	1.860	3	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	S-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)(CHS)(H)	C(SC[6a]OO)(CCH)(H)	C(CCH)2(H)	C(CCH)(CHS)(H)	C(SC[6a]OO)(CCH)(H)	C(CCH)2(H)	121.7655	1.175	2	121.7655	1.379	2	122.3900	1.860	3	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:H-1:	Si-4:C-3:H-1:	C-3:N-3:S-1:	C(CSiH)(CNS)(H)	C(SiC3)(CCH)(H)	C(CCH)(NCC)(S)	C(CSiH)(CNS)(H)	C(SiC3)(CCH)(H)	C(CCH)(NCC)(S)	124.5380	0.000	1	124.5380	0.000	1	124.5380	0.000	1	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:I-1:	C-4:C-3:H-1:	C-3:N-3:O-1:	C(CCH)(CNO)(I)	C(CCHH)(CCI)(H)	C(CCI)(NCS)(O)	C(CCH)(CNO)(I)	C(CCHH)(CCI)(H)	C(CCI)(NCS)(O)	121.5550	0.000	1	121.5550	0.000	1	121.5550	0.000	1	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:1:	C-3:C-3:I-1:	C-4:C-3:I-1:	C-3:C-3:I-1:	C(CCI)2(I)	C(CN[5]HH)(CCI)(I)	C(CCI)2(I)	C(CCI)2(I)	C(CN[5]HH)(CCI)(I)	C(CCI)2(I)	126.7608	0.904	8	126.7608	0.817	8	126.7608	0.817	8	125.7385	11.258	335	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:2:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:C-2:	C(CCC)(CCH)(H)	C(CC[6a]HH)(CCH)(H)	C(CCC)(CCH)(CC)	C(CCC)(CCH)(H)	C(CC[6a]HH)(CCH)(H)	C(CCC)(CCH)(CC)	125.1480	0.000	1	125.1480	0.000	1	125.1480	0.000	1	123.7448	14.421	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:2:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:O-2:	C(CCH)(CCO)(H)	C(CH3)(CCH)(H)	C(CCH)2(OC)	C(CCH)(CCO)(H)	C(CH3)(CCH)(H)	C(CCH)2(OC)	127.4440	0.000	1	127.4440	0.000	1	127.4440	0.000	1	123.7448	14.421	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:2:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:C-3:O-2:	C(CCO)2(H)	C(CF3)(CCH)(O)	C(CCH)2(OH)	C(CCO)2(H)	C(CF3)(CCH)(O)	C(CCH)2(OH)	121.4910	0.000	1	121.4910	0.000	1	121.1515	0.231	2	123.7448	14.421	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:2:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:C-3:O-2:	C(CCO)2(H)	C(CH3)(CCH)(O)	C(CCH)2(OH)	C(CCO)2(H)	C(CH3)(CCH)(O)	C(CCH)2(OH)	120.8120	0.000	1	120.8120	0.000	1	121.1515	0.231	2	123.7448	14.421	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:2:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:C-3:O-2:	C(CC[5]H)(CCO)(H)	C(C[5]C[5,6a]C[5]2)(CCH)(H)	C(CCH)2(OC)	C(CC[5]H)(CCO)(H)	C(C[5]C[5,6a]C[5]2)(CCH)(H)	C(CCH)2(OC)	126.0860	0.000	1	126.0860	0.000	1	126.0860	0.000	1	123.7448	14.421	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:2:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-3:N-3:N-2:	C(CC[5]H)(CNN)(H)	C(C[5]C[5]O[5]H)(CCH)(H)	C(CCH)(NCC)(NS)	C(CC[5]H)(CNN)(H)	C(C[5]C[5]O[5]H)(CCH)(H)	C(CCH)(NCC)(NS)	125.4020	0.000	1	125.4020	0.000	1	125.4020	0.000	1	123.7448	14.421	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:2:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	C[6a]-3:C-3:O-2:	C(CC[6a]O)(CC[5]O)(H)	C(C[5]C[5]O[5]H)(CCH)(O)	C(C[6a]C[6a]2)(CCH)(OH)	C(CC[6a]O)(CC[5]O)(H)	C(C[5]C[5]O[5]H)(CCH)(O)	C(C[6a]C[6a]2)(CCH)(OH)	120.3690	0.793	2	120.3690	0.629	2	120.3690	0.629	2	123.7448	14.421	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:2:	C-3:C-3:H-1:	C[6,6]-4:C-3:H-1:	C-3:C-3:N-2:	C(CC[6,6]H)(CCN)(H)	C(C[6,6]C[6,6]O[6]2)(CCH)(H)	C(CCH)2(NO)	C(CC[6,6]H)(CCN)(H)	C(C[6,6]C[6,6]O[6]2)(CCH)(H)	C(CCH)2(NO)	128.2350	2.274	2	128.2350	5.171	2	128.2350	5.171	2	123.7448	14.421	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:2:	C-3:C-3:H-1:	N-4:C-3:H-1:	N-3:C-3:O-2:	C(CHN)(CNO)(H)	C(NZnCC)(CCH)(H)	C(NZnH)(CCH)(OC)	C(CHN)(CNO)(H)	C(NZnCC)(CCH)(H)	C(NZnH)(CCH)(OC)	117.6020	0.000	1	117.6020	0.000	1	117.6020	0.000	1	123.7448	14.421	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-3:C-3:C-3:	C(CCC)(CCH)(H)	C(CHHO)(CCH)(H)	C(CCC)(CCH)2	C(CCC)(CCH)(H)	C(CHHO)(CCH)(H)	C(CCC)(CCH)2	126.2045	0.882	2	126.2045	0.778	2	126.2045	0.778	2	128.0152	9.491	18	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-3:C-3:N-3:	C(CCN)(CCO)(H)	C(CH3)(CCH)(O)	C(CCH)2(NCC)	C(CCN)(CCO)(H)	C(CH3)(CCH)(O)	C(CCH)2(NCC)	125.2630	0.000	1	125.2630	0.000	1	125.2630	0.000	1	128.0152	9.491	18	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:3:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	N-3:C-3:C-3:	C(CC[5]O)(CCN)(H)	C(C[5]C[5]2Fe)(CCH)(O)	C(NC[6a]H)(CCH)(COO)	C(CC[5]O)(CCN)(H)	C(C[5]C[5]2Fe)(CCH)(O)	C(NC[6a]H)(CCH)(COO)	121.6320	0.000	1	121.6320	0.000	1	121.6320	0.000	1	128.0152	9.491	18	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:3:	C-3:C-3:H-1:	S-4:C-3:H-1:	C-3:C-3:C-3:	C(CCC)(CHS)(H)	C(SC[6a]OO)(CCH)(H)	C(CCC)(CCH)(COO)	C(CCC)(CHS)(H)	C(SC[6a]OO)(CCH)(H)	C(CCC)(CCH)(COO)	125.0170	0.000	1	125.0170	0.000	1	125.0170	0.000	1	128.0152	9.491	18	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:3:	C-3:C-3:H-1:	Si-4:C-3:H-1:	C-3:C-3:C-3:	C(CSiH)(CCC)(H)	C(SiC3)(CCH)(H)	C(CCC)(CCH)2	C(CSiH)(CCC)(H)	C(SiC3)(CCH)(H)	C(CCC)(CCH)2	129.2747	2.650	12	129.2747	7.023	12	129.2747	7.023	12	128.0152	9.491	18	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:3:3:	C-3:C-3:H-1:	Si-4:C-3:H-1:	C-3:C-3:N-3:	C(CSiH)(CCN)(H)	C(SiSi2N)(CCH)(H)	C(CCH)2(NCC)	C(CSiH)(CCN)(H)	C(SiSi2N)(CCH)(H)	C(CCH)2(NCC)	128.6560	0.000	1	128.6560	0.000	1	128.6560	0.000	1	128.0152	9.491	18	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:4:3:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	N-3:C-4:C-3:	C(CC[5]O)(CCN)(H)	C(C[5]C[5]2Fe)(CCH)(O)	C(NC[6a]H)(CH3)(CCH)	C(CC[5]O)(CCN)(H)	C(C[5]C[5]2Fe)(CCH)(O)	C(NC[6a]H)(CH3)(CCH)	124.4683	0.577	6	124.4683	0.333	6	124.4683	0.333	6	125.1329	1.760	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	3:4:3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-3:C-4:C-3:	C(CC[6]H)(CCC)(H)	C(C[6]C[6]2H)(CCH)(H)	C(CC[6a]H)(CH3)(CCH)	C(CC[6]H)(CCC)(H)	C(C[6]C[6]2H)(CCH)(H)	C(CC[6a]H)(CH3)(CCH)	127.1265	0.240	2	127.1265	0.057	2	127.1265	0.057	2	125.1329	1.760	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:Br-1:	C[6]-4:C-3:H-1:	C[6]-4:C-3:O-1:	C(CC[6]H)(CC[6]O)(Br)	C(C[6]C[6]2H)(CBrC)(H)	C(C[6]C[6]2H)(CBrC)(O)	C(CC[6]H)(CC[6]O)(Br)	C(C[6]C[6]2H)(CBrC)(H)	C(C[6]C[6]2H)(CBrC)(O)	126.9970	0.936	2	126.9970	0.876	2	126.9970	0.876	2	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:F-1:	C-4:C-3:O-1:	C-4:C-3:O-1:	C(CCO)2(F)	C(CF3)(CCF)(O)	C(CF3)(CCF)(O)	C(CCO)2(F)	C(CF3)(CCF)(O)	C(CF3)(CCF)(O)	124.6820	0.000	1	124.6820	0.000	1	124.6820	0.000	1	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCH)2(H)	C(CCCH)(CCH)(H)	C(CCCH)(CCH)(H)	C(CCH)2(H)	C(CCCH)(CCH)(H)	C(CCCH)(CCH)(H)	126.5020	0.450	2	126.5020	0.202	2	125.7053	2.005	3	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-4:C-3:H-1:	C(CCH)2(H)	C(CCHH)(CCH)(H)	C(CH3)(CCH)(H)	C(CCH)2(H)	C(CCHH)(CCH)(H)	C(CH3)(CCH)(H)	124.1120	0.000	1	124.1120	0.000	1	125.7053	2.005	3	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-4:C-3:O-1:	C(CCH)(CCO)(H)	C(CC3)(CCH)(H)	C(CC3)(CCH)(O)	C(CCH)(CCO)(H)	C(CC3)(CCH)(H)	C(CC3)(CCH)(O)	120.4380	0.000	1	120.4380	0.000	1	124.0172	13.041	10	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-4:C-3:O-1:	C(CCH)(CCO)(H)	C(CCHH)(CCH)(H)	C(CCHH)(CCH)(O)	C(CCH)(CCO)(H)	C(CCHH)(CCH)(H)	C(CCHH)(CCH)(O)	125.8007	1.156	4	125.8007	1.337	4	124.0172	13.041	10	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-4:C-3:O-1:	C(CCH)(CCO)(H)	C(CCHO)(CCH)(H)	C(CHHO)(CCH)(O)	C(CCH)(CCO)(H)	C(CCHO)(CCH)(H)	C(CHHO)(CCH)(O)	129.6890	0.000	1	129.6890	0.000	1	124.0172	13.041	10	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-4:C-3:O-1:	C(CCH)(CCO)(H)	C(CC[5]CC)(CCH)(H)	C(CCCH)(CCH)(O)	C(CCH)(CCO)(H)	C(CC[5]CC)(CCH)(H)	C(CCCH)(CCH)(O)	117.5780	0.000	1	117.5780	0.000	1	124.0172	13.041	10	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-4:C-3:O-1:	C(CCH)(CCO)(H)	C(CC[5]HH)(CCH)(H)	C(CH3)(CCH)(O)	C(CCH)(CCO)(H)	C(CC[5]HH)(CCH)(H)	C(CH3)(CCH)(O)	124.0070	0.000	1	124.0070	0.000	1	124.0172	13.041	10	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-4:C-3:O-1:	C(CCH)(CCO)(H)	C(CC[6a]CH)(CCH)(H)	C(CCCH)(CCH)(O)	C(CCH)(CCO)(H)	C(CC[6a]CH)(CCH)(H)	C(CCCH)(CCH)(O)	124.9020	0.000	1	124.9020	0.000	1	124.0172	13.041	10	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-4:C-3:O-1:	C(CCH)(CCO)(H)	C(CH3)(CCH)(H)	C(CH3)(CCH)(O)	C(CCH)(CCO)(H)	C(CH3)(CCH)(H)	C(CH3)(CCH)(O)	120.3550	0.000	1	120.3550	0.000	1	124.0172	13.041	10	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	C-4:C-3:H-1:	N-4:C-3:H-1:	C(CCH)(CHN)(H)	C(CH3)(CCH)(H)	C(NC3)(CCH)(H)	C(CCH)(CHN)(H)	C(CH3)(CCH)(H)	C(NC3)(CCH)(H)	111.6980	0.000	1	111.6980	0.000	1	111.6980	0.000	1	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-4:C-3:H-1:	C(CCH)(CCO)(H)	C(CCCH)(CCH)(O)	C(CC3)(CCH)(H)	C(CCH)(CCO)(H)	C(CCCH)(CCH)(O)	C(CC3)(CCH)(H)	121.0945	0.403	4	121.0945	0.162	4	121.0945	0.162	4	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-4:C-3:O-1:	C(CCO)2(H)	C(CC[6a]HH)(CCH)(O)	C(CC[6a]HH)(CCH)(O)	C(CCO)2(H)	C(CC[6a]HH)(CCH)(O)	C(CC[6a]HH)(CCH)(O)	121.5400	0.000	1	121.5400	0.000	1	126.1048	11.169	11	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-4:C-3:O-1:	C(CCO)2(H)	C(CF3)(CCH)(O)	C(CF3)(CCH)(O)	C(CCO)2(H)	C(CF3)(CCH)(O)	C(CF3)(CCH)(O)	122.1987	0.131	3	122.1987	0.017	3	126.1048	11.169	11	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-4:C-3:O-1:	C(CCO)2(H)	C(CH3)(CCH)(O)	C(CH3)(CCH)(O)	C(CCO)2(H)	C(CH3)(CCH)(O)	C(CH3)(CCH)(O)	128.4310	1.093	7	128.4310	1.195	7	126.1048	11.169	11	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	C[3]-4:C-3:H-1:	C-4:C-3:O-1:	C(CC[3]H)(CCO)(H)	C(C[3]C[3]O[3]H)(CCH)(H)	C(CC[6a]HH)(CCH)(O)	C(CC[3]H)(CCO)(H)	C(C[3]C[3]O[3]H)(CCH)(H)	C(CC[6a]HH)(CCH)(O)	120.9550	0.000	1	120.9550	0.000	1	120.9550	0.000	1	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	C[3]-4:C-3:H-1:	C[5]-4:C-3:O-1:	C(CC[3]H)(CC[5]O)(H)	C(C[3]C[3,5]2H)(CCH)(H)	C(C[5]C[5]2H)(CCH)(O)	C(CC[3]H)(CC[5]O)(H)	C(C[3]C[3,5]2H)(CCH)(H)	C(C[5]C[5]2H)(CCH)(O)	125.8750	0.000	1	125.8750	0.000	1	125.8750	0.000	1	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	C[4]-4:C-3:H-1:	C-4:C-3:O-1:	C(CC[4]H)(CCO)(H)	C(C[4]C[4]2H)(CCH)(H)	C(CH3)(CCH)(O)	C(CC[4]H)(CCO)(H)	C(C[4]C[4]2H)(CCH)(H)	C(CH3)(CCH)(O)	125.7380	0.000	1	125.7380	0.000	1	125.7380	0.000	1	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	C[5,6]-4:C-3:H-1:	C-4:C-3:O-1:	C(CC[5,6]H)(CCO)(H)	C(C[5,6]C[5,6]C[6]O[5])(CCH)(H)	C(CH3)(CCH)(O)	C(CC[5,6]H)(CCO)(H)	C(C[5,6]C[5,6]C[6]O[5])(CCH)(H)	C(CH3)(CCH)(O)	119.5190	0.000	1	119.5190	0.000	1	119.5190	0.000	1	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	C[5,6]-4:C-3:O-1:	C-4:C-3:H-1:	C(CC[5,6]O)(CCH)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCH)(O)	C(CCHH)(CCH)(H)	C(CC[5,6]O)(CCH)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCH)(O)	C(CCHH)(CCH)(H)	121.7540	0.686	2	121.7540	0.470	2	122.0575	0.297	4	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	C[5,6]-4:C-3:O-1:	C-4:C-3:H-1:	C(CC[5,6]O)(CCH)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCH)(O)	C(CCHO)(CCH)(H)	C(CC[5,6]O)(CCH)(H)	C(C[5,6]C[5,6]C[5]C[6])(CCH)(O)	C(CCHO)(CCH)(H)	122.3610	0.229	2	122.3610	0.052	2	122.0575	0.297	4	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-4:C-3:O-1:	C(CC[5]H)(CCO)(H)	C(C[5]C[5,6a]C[5]H)(CCH)(H)	C(CH3)(CCH)(O)	C(CC[5]H)(CCO)(H)	C(C[5]C[5,6a]C[5]H)(CCH)(H)	C(CH3)(CCH)(O)	125.4340	0.000	1	125.4340	0.000	1	124.5030	5.181	3	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-4:C-3:O-1:	C(CC[5]H)(CCO)(H)	C(C[5]C[5]2H)(CCH)(H)	C(CCCH)(CCH)(O)	C(CC[5]H)(CCO)(H)	C(C[5]C[5]2H)(CCH)(H)	C(CCCH)(CCH)(O)	126.1660	0.000	1	126.1660	0.000	1	124.5030	5.181	3	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-4:C-3:O-1:	C(CC[5]H)(CCO)(H)	C(C[5]C[5]O[5]C)(CCH)(H)	C(CCHH)(CCH)(O)	C(CC[5]H)(CCO)(H)	C(C[5]C[5]O[5]C)(CCH)(H)	C(CCHH)(CCH)(O)	121.9090	0.000	1	121.9090	0.000	1	124.5030	5.181	3	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C[5]-4:C-3:H-1:	C(CC[5]H)2(H)	C(C[5]C[5]2Fe)(CCH)(H)	C(C[5]C[5]2Fe)(CCH)(H)	C(CC[5]H)2(H)	C(C[5]C[5]2Fe)(CCH)(H)	C(C[5]C[5]2Fe)(CCH)(H)	119.8720	2.611	2	119.8720	6.815	2	119.8720	6.815	2	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C[6]-4:C-3:O-1:	C(CC[5]H)(CC[6]O)(H)	C(C[5]C[5,6]C[5]C)(CCH)(H)	C(C[6]C[6]2H)(CCH)(O)	C(CC[5]H)(CC[6]O)(H)	C(C[5]C[5,6]C[5]C)(CCH)(H)	C(C[6]C[6]2H)(CCH)(O)	133.5000	0.000	1	133.5000	0.000	1	133.5000	0.000	1	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	C-4:C-3:H-1:	C(CC[5]O)(CCH)(H)	C(C[5]C[5]2Fe)(CCH)(O)	C(CC[5]HO)(CCH)(H)	C(CC[5]O)(CCH)(H)	C(C[5]C[5]2Fe)(CCH)(O)	C(CC[5]HO)(CCH)(H)	124.5230	0.000	1	124.5230	0.000	1	124.5230	0.000	1	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	C[6]-4:C-3:H-1:	C(CC[5]O)(CC[6]H)(H)	C(C[5]C[5,6]O[5]H)(CCH)(O)	C(C[6]C[5,6]C[6]C)(CCH)(H)	C(CC[5]O)(CC[6]H)(H)	C(C[5]C[5,6]O[5]H)(CCH)(O)	C(C[6]C[5,6]C[6]C)(CCH)(H)	130.2527	0.505	4	130.2527	0.255	4	130.2527	0.255	4	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	C[6,6]-4:C-3:H-1:	C-4:C-3:O-1:	C(CC[6,6]H)(CCO)(H)	C(C[6,6]C[5,3x6]C[6,6]H)(CCH)(H)	C(CCCH)(CCH)(O)	C(CC[6,6]H)(CCO)(H)	C(C[6,6]C[5,3x6]C[6,6]H)(CCH)(H)	C(CCCH)(CCH)(O)	122.7060	0.396	2	122.7060	0.157	2	122.7060	0.157	2	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	C[6]-4:C-3:Cl-1:	C-4:C-3:O-1:	C(CC[6]Cl)(CCO)(H)	C(C[6]C[6]2H)(CCH)(Cl)	C(CC[6a]2H)(CCH)(O)	C(CC[6]Cl)(CCO)(H)	C(C[6]C[6]2H)(CCH)(Cl)	C(CC[6a]2H)(CCH)(O)	129.0230	0.000	1	129.0230	0.000	1	129.0230	0.000	1	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-4:C-3:O-1:	C(CC[6]H)(CCO)(H)	C(C[6]C[5,6,6]C[6]H)(CCH)(H)	C(CH3)(CCH)(O)	C(CC[6]H)(CCO)(H)	C(C[6]C[5,6,6]C[6]H)(CCH)(H)	C(CH3)(CCH)(O)	124.8220	0.000	1	124.8220	0.000	1	124.9068	12.082	5	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-4:C-3:O-1:	C(CC[6]H)(CCO)(H)	C(C[6]C[6]2C)(CCH)(H)	C(CCHH)(CCH)(O)	C(CC[6]H)(CCO)(H)	C(C[6]C[6]2C)(CCH)(H)	C(CCHH)(CCH)(O)	120.8560	0.000	1	120.8560	0.000	1	124.9068	12.082	5	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-4:C-3:O-1:	C(CC[6]H)(CCO)(H)	C(C[6]C[6]2O)(CCH)(H)	C(CH3)(CCH)(O)	C(CC[6]H)(CCO)(H)	C(C[6]C[6]2O)(CCH)(H)	C(CH3)(CCH)(O)	124.1965	0.177	2	124.1965	0.032	2	124.9068	12.082	5	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-4:C-3:O-1:	C(CC[6]H)(CCO)(H)	C(C[6]C[6]O[6]H)(CCH)(H)	C(CHHO)(CCH)(O)	C(CC[6]H)(CCO)(H)	C(C[6]C[6]O[6]H)(CCH)(H)	C(CHHO)(CCH)(O)	130.4630	0.000	1	130.4630	0.000	1	124.9068	12.082	5	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C[6]-4:C-3:O-1:	C(CC[6]H)(CC[6]O)(H)	C(C[6]C[6,6a]C[6]H)(CCH)(H)	C(C[6]C[6,6a]C[6]O)(CCH)(O)	C(CC[6]H)(CC[6]O)(H)	C(C[6]C[6,6a]C[6]H)(CCH)(H)	C(C[6]C[6,6a]C[6]O)(CCH)(O)	126.7130	0.000	1	126.7130	0.000	1	126.7130	0.000	1	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	P-4:C-3:H-1:	Si-4:C-3:H-1:	C(CSiH)(CHP)(H)	C(PC[6a]3)(CCH)(H)	C(SiSiNO)(CCH)(H)	C(CSiH)(CHP)(H)	C(PC[6a]3)(CCH)(H)	C(SiSiNO)(CCH)(H)	126.3080	0.000	1	126.3080	0.000	1	126.3080	0.000	1	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:1:	C-3:C-3:H-1:	Si-4:C-3:H-1:	Si-4:C-3:H-1:	C(CSiH)2(H)	C(SiC3)(CCH)(H)	C(SiC3)(CCH)(H)	C(CSiH)2(H)	C(SiC3)(CCH)(H)	C(SiC3)(CCH)(H)	129.3145	1.022	2	129.3145	1.044	2	129.3145	1.044	2	124.8003	15.452	63	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-4:C-3:O-2:	C(CCO)2(H)	C(CCHO)(CCH)(O)	C(CH3)(CCH)(OC)	C(CCO)2(H)	C(CCHO)(CCH)(O)	C(CH3)(CCH)(OC)	133.4550	0.000	1	133.4550	0.000	1	133.4550	0.000	1	127.5780	69.078	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:2:	C-3:C-3:H-1:	C[6]-4:C-3:O-1:	C-4:C-3:O-2:	C(CC[6]O)(CCO)(H)	C(C[6]C[6]2H)(CCH)(O)	C(CH3)(CCH)(OH)	C(CC[6]O)(CCO)(H)	C(C[6]C[6]2H)(CCH)(O)	C(CH3)(CCH)(OH)	121.7010	0.000	1	121.7010	0.000	1	121.7010	0.000	1	127.5780	69.078	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:3:	C-3:C-3:H-1:	B-4:C-3:H-1:	C-4:C-3:C-3:	C(CBH)(CCC)(H)	C(BC[6a]2C[6])(CCH)(H)	C(CH3)(CCH)(CHH)	C(CBH)(CCC)(H)	C(BC[6a]2C[6])(CCH)(H)	C(CH3)(CCH)(CHH)	126.4240	0.000	1	126.4240	0.000	1	126.4240	0.000	1	126.3421	2.969	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-4:C-3:C-3:	C(CCC)(CCH)(H)	C(CCCH)(CCH)(H)	C(CHHN)(CCH)2	C(CCC)(CCH)(H)	C(CCCH)(CCH)(H)	C(CHHN)(CCH)2	125.0155	0.131	2	125.0155	0.017	2	127.3355	1.786	12	126.3421	2.969	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-4:C-3:C-3:	C(CCC)(CCH)(H)	C(CCHO)(CCH)(H)	C(CH3)(CCH)2	C(CCC)(CCH)(H)	C(CCHO)(CCH)(H)	C(CH3)(CCH)2	128.0286	0.763	8	128.0286	0.583	8	127.3355	1.786	12	126.3421	2.969	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-4:C-3:C-3:	C(CCC)(CCH)(H)	C(CC[5a]HH)(CCH)(H)	C(CCHH)(CCH)2	C(CCC)(CCH)(H)	C(CC[5a]HH)(CCH)(H)	C(CCHH)(CCH)2	127.3990	0.000	1	127.3990	0.000	1	127.3355	1.786	12	126.3421	2.969	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C-4:C-3:C-3:	C(CCC)(CCH)(H)	C(CHHO)(CCH)(H)	C(CH3)(CCH)2	C(CCC)(CCH)(H)	C(CHHO)(CCH)(H)	C(CH3)(CCH)2	126.3670	0.000	1	126.3670	0.000	1	127.3355	1.786	12	126.3421	2.969	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:3:	C-3:C-3:H-1:	C[5]-4:C-3:H-1:	C-4:C-3:C-3:	C(CC[5]H)(CCC)(H)	C(C[5]C[5,6a]N[5,6]C[3])(CCH)(H)	C(CH3)(CCH)(CHH)	C(CC[5]H)(CCC)(H)	C(C[5]C[5,6a]N[5,6]C[3])(CCH)(H)	C(CH3)(CCH)(CHH)	125.7290	0.000	1	125.7290	0.000	1	125.7290	0.000	1	126.3421	2.969	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:3:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	C-4:C-3:N-3:	C(CC[5]O)(CCN)(H)	C(C[5]C[5]2Fe)(CCH)(O)	C(CH3)(CCH)(NCH)	C(CC[5]O)(CCN)(H)	C(C[5]C[5]2Fe)(CCH)(O)	C(CH3)(CCH)(NCH)	123.6280	0.336	3	123.6280	0.113	3	123.6280	0.113	3	126.3421	2.969	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-4:C-3:C-3:	C(CC[6]H)(CCC)(H)	C(C[6]C[6,6a]C[6]O)(CCH)(H)	C(CH3)(CCH)2	C(CC[6]H)(CCC)(H)	C(C[6]C[6,6a]C[6]O)(CCH)(H)	C(CH3)(CCH)2	125.4300	0.000	1	125.4300	0.000	1	126.1455	1.024	2	126.3421	2.969	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:3:	C-3:C-3:H-1:	C[6]-4:C-3:H-1:	C-4:C-3:C-3:	C(CC[6]H)(CCC)(H)	C(C[6]C[6]2C)(CCH)(H)	C(CH3)(CCH)2	C(CC[6]H)(CCC)(H)	C(C[6]C[6]2C)(CCH)(H)	C(CH3)(CCH)2	126.8610	0.000	1	126.8610	0.000	1	126.1455	1.024	2	126.3421	2.969	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:3:3:	C-3:C-3:H-1:	P-4:C-3:H-1:	C-4:C-3:C-3:	C(CCC)(CHP)(H)	C(PC[6a]2Cu)(CCH)(H)	C(CH3)(CCH)(CHH)	C(CCC)(CHP)(H)	C(PC[6a]2Cu)(CCH)(H)	C(CH3)(CCH)(CHH)	124.9150	0.109	2	124.9150	0.012	2	124.9150	0.012	2	126.3421	2.969	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:4:3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-4:C-4:C-3:	C(CCC)(CCO)(H)	C(CCHH)(CCH)(O)	C(CH3)2(CCH)	C(CCC)(CCO)(H)	C(CCHH)(CCH)(O)	C(CH3)2(CCH)	127.7070	0.000	1	127.7070	0.000	1	127.6600	1.324	5	127.4138	1.422	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:4:3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-4:C-4:C-3:	C(CCC)(CCO)(H)	C(CC[4]HH)(CCH)(O)	C(CH3)2(CCH)	C(CCC)(CCO)(H)	C(CC[4]HH)(CCH)(O)	C(CH3)2(CCH)	127.8970	0.000	1	127.8970	0.000	1	127.6600	1.324	5	127.4138	1.422	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:4:3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-4:C-4:C-3:	C(CCC)(CCO)(H)	C(CC[5]HH)(CCH)(O)	C(CCHH)(CH3)(CCH)	C(CCC)(CCO)(H)	C(CC[5]HH)(CCH)(O)	C(CCHH)(CH3)(CCH)	126.6340	0.071	2	126.6340	0.005	2	127.6600	1.324	5	127.4138	1.422	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:4:3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C-4:C-4:C-3:	C(CCC)(CCO)(H)	C(CC[6]HH)(CCH)(O)	C(CCHH)(CH3)(CCH)	C(CCC)(CCO)(H)	C(CC[6]HH)(CCH)(O)	C(CCHH)(CH3)(CCH)	129.4280	0.000	1	129.4280	0.000	1	127.6600	1.324	5	127.4138	1.422	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:1:	4:4:3:	C-3:C-3:H-1:	C[5]-4:C-3:O-1:	C-4:C-4:C-3:	C(CC[5]O)(CCC)(H)	C(C[5]C[5,5]C[5]H)(CCH)(O)	C(CCHH)(CH3)(CCH)	C(CC[5]O)(CCC)(H)	C(C[5]C[5,5]C[5]H)(CCH)(O)	C(CCHH)(CH3)(CCH)	126.1830	0.000	1	126.1830	0.000	1	126.1830	0.000	1	127.4138	1.422	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	3:1:1:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:F-1:O-1:	C(CCO)(CFO)(H)	C(CH3)(CCH)(OH)	C(CCH)(F)(O)	C(CCO)(CFO)(H)	C(CH3)(CCH)(OH)	C(CCH)(F)(O)	120.7610	0.000	1	120.7610	0.000	1	120.7610	0.000	1	123.5713	6.325	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	3:1:1:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:H-1:H-1:	C(CCO)(CHH)(H)	C(CCHH)(CCH)(OIr)	C(CCH)(H)2	C(CCO)(CHH)(H)	C(CCHH)(CCH)(OIr)	C(CCH)(H)2	125.6100	0.000	1	125.6100	0.000	1	124.9765	0.803	2	123.5713	6.325	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	3:1:1:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:H-1:H-1:	C(CCO)(CHH)(H)	C(CH3)(CCH)(OIr)	C(CCH)(H)2	C(CCO)(CHH)(H)	C(CH3)(CCH)(OIr)	C(CCH)(H)2	124.3430	0.000	1	124.3430	0.000	1	124.9765	0.803	2	123.5713	6.325	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:O-2:C-1:	C(CCO)2(H)	C(CH3)(CCH)(ORu)	C(CCH)(ORu)(C)	C(CCO)2(H)	C(CH3)(CCH)(ORu)	C(CCH)(ORu)(C)	127.9720	0.000	1	127.9720	0.000	1	127.9720	0.000	1	126.5900	4.346	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:O-2:O-1:	C(CCO)(COO)(H)	C(CCHH)(CCH)(OC)	C(CCH)(OH)(O)	C(CCO)(COO)(H)	C(CCHH)(CCH)(OC)	C(CCH)(OH)(O)	124.1920	0.000	1	124.1920	0.000	1	125.8990	5.828	2	126.5900	4.346	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:O-2:O-1:	C(CCO)(COO)(H)	C(CReCC)(CCH)(OC)	C(CCH)(OC)(O)	C(CCO)(COO)(H)	C(CReCC)(CCH)(OC)	C(CCH)(OC)(O)	127.6060	0.000	1	127.6060	0.000	1	125.8990	5.828	2	126.5900	4.346	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	3:2:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:O-2:C-2:	C(CCO)2(H)	C(CCCH)(CCH)(OIr)	C(CCH)(OIr)(CC)	C(CCO)2(H)	C(CCCH)(CCH)(OIr)	C(CCH)(OIr)(CC)	127.7950	0.000	1	127.7950	0.000	1	127.7950	0.000	1	123.5539	2.798	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	3:2:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:O-2:O-2:	C(CCO)(COO)(H)	C(CH3)(CCH)(OAl)	C(CCH)(OAl)(OC)	C(CCO)(COO)(H)	C(CH3)(CCH)(OAl)	C(CCH)(OAl)(OC)	122.5470	0.821	6	122.5470	0.675	6	123.1684	1.116	11	123.5539	2.798	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	3:2:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:O-2:O-2:	C(CCO)(COO)(H)	C(CH3)(CCH)(OCu)	C(CCH)(OCu)(OC)	C(CCO)(COO)(H)	C(CH3)(CCH)(OCu)	C(CCH)(OCu)(OC)	123.7900	0.000	1	123.7900	0.000	1	123.1684	1.116	11	123.5539	2.798	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	3:2:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:O-2:O-2:	C(CCO)(COO)(H)	C(CH3)(CCH)(OFe)	C(CCH)(OFe)(OC)	C(CCO)(COO)(H)	C(CH3)(CCH)(OFe)	C(CCH)(OFe)(OC)	123.5057	0.419	3	123.5057	0.175	3	123.1684	1.116	11	123.5539	2.798	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	3:2:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:O-2:O-2:	C(CCO)(COO)(H)	C(CH3)(CCH)(ONi)	C(CCH)(ONi)(OC)	C(CCO)(COO)(H)	C(CH3)(CCH)(ONi)	C(CCH)(ONi)(OC)	125.2630	0.000	1	125.2630	0.000	1	123.1684	1.116	11	123.5539	2.798	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	3:3:1:	C-3:C-3:Cl-1:	Si-4:C-3:C-2:	C-3:C-3:H-1:	C(CSiC)(CCH)(Cl)	C(SiC[6a]2C)(CClC)(CC)	C(CBr2)(CClC)(H)	C(CSiC)(CCH)(Cl)	C(SiC[6a]2C)(CClC)(CC)	C(CBr2)(CClC)(H)	125.2250	0.000	1	125.2250	0.000	1	125.2250	0.000	1	128.5701	16.142	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:C-2:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CH3)(CCH)(CC)	C(CCH)2(H)	C(CCC)(CCH)(H)	C(CH3)(CCH)(CC)	C(CCH)2(H)	127.7650	0.120	2	127.7650	0.014	2	127.7650	0.014	2	128.5701	16.142	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:N-2:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(CCHH)(CCH)(NN)	C(CCH)2(H)	C(CCH)(CCN)(H)	C(CCHH)(CCH)(NN)	C(CCH)2(H)	129.7820	0.000	1	129.7820	0.000	1	129.7820	0.000	1	128.5701	16.142	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CCFF)(CCH)(OH)	C(CCH)(CCN)(H)	C(CCH)(CCO)(H)	C(CCFF)(CCH)(OH)	C(CCH)(CCN)(H)	124.2850	0.000	1	124.2850	0.000	1	126.6682	3.744	6	128.5701	16.142	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CCHH)(CCH)(OC)	C(CCC)(CCH)(H)	C(CCH)(CCO)(H)	C(CCHH)(CCH)(OC)	C(CCC)(CCH)(H)	130.1220	0.000	1	130.1220	0.000	1	126.6682	3.744	6	128.5701	16.142	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CC[6a]HH)(CCH)(OC)	C(CCH)2(H)	C(CCH)(CCO)(H)	C(CC[6a]HH)(CCH)(OC)	C(CCH)2(H)	126.4390	0.000	1	126.4390	0.000	1	126.6682	3.744	6	128.5701	16.142	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CC[6a]HN)(CCH)(OC)	C(CCH)(CHH)(H)	C(CCH)(CCO)(H)	C(CC[6a]HN)(CCH)(OC)	C(CCH)(CHH)(H)	126.0175	0.006	2	126.0175	0.000	2	126.6682	3.744	6	128.5701	16.142	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(H)	C(CH3)(CCH)(OAl)	C(CAlH)(CCH)(H)	C(CCH)(CCO)(H)	C(CH3)(CCH)(OAl)	C(CAlH)(CCH)(H)	127.1280	0.000	1	127.1280	0.000	1	126.6682	3.744	6	128.5701	16.142	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:N-3:O-1:	C(CCO)(CNO)(H)	C(CH3)(CCH)(OC)	C(CCH)(NCH)(O)	C(CCO)(CNO)(H)	C(CH3)(CCH)(OC)	C(CCH)(NCH)(O)	126.0360	0.000	1	126.0360	0.000	1	133.1870	25.117	4	128.5701	16.142	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:N-3:O-1:	C(CCO)(CNO)(H)	C(CHHN)(CCH)(OC)	C(CCH)(NCC)(O)	C(CCO)(CNO)(H)	C(CHHN)(CCH)(OC)	C(CCH)(NCC)(O)	136.6315	0.644	2	136.6315	0.415	2	133.1870	25.117	4	128.5701	16.142	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:N-3:O-1:	C(CCO)(CNO)(H)	C(CHHO)(CCH)(OC)	C(CCH)(NCC)(O)	C(CCO)(CNO)(H)	C(CHHO)(CCH)(OC)	C(CCH)(NCC)(O)	133.4490	0.000	1	133.4490	0.000	1	133.1870	25.117	4	128.5701	16.142	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:O-2:	C-3:C-3:H-1:	C(CC[5]O)(CCH)(H)	C(C[5]C[5]2H)(CCH)(OC)	C(CC[5]O)(CCH)(H)	C(CC[5]O)(CCH)(H)	C(C[5]C[5]2H)(CCH)(OC)	C(CC[5]O)(CCH)(H)	125.2570	0.000	1	125.2570	0.000	1	125.2570	0.000	1	128.5701	16.142	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	3:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-3:C-3:O-2:	C(CCO)2(H)	C(CC3)(CCH)(OFe)	C(CCC)(CCH)(OFe)	C(CCO)2(H)	C(CC3)(CCH)(OFe)	C(CCC)(CCH)(OFe)	126.9870	0.000	1	126.9870	0.000	1	126.9870	0.000	1	126.2283	0.440	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	3:3:2:	C-3:C-3:H-1:	C[5]-4:C-3:O-2:	C[6a]-3:C-3:O-2:	C(CC[6a]O)(CC[5]O)(H)	C(C[5]C[5]2Fe)(CCH)(OCu)	C(C[6a]C[6a]2)(CCH)(OCu)	C(CC[6a]O)(CC[5]O)(H)	C(C[5]C[5]2Fe)(CCH)(OCu)	C(C[6a]C[6a]2)(CCH)(OCu)	125.8490	0.130	2	125.8490	0.017	2	125.8490	0.017	2	126.2283	0.440	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	3:3:3:	C-3:C-3:H-1:	C-4:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]2)(CCC)(H)	C(CC[6a]2O)(CCH)(CC)	C(C[6a]C[6a]2)2(CCH)	C(CC[6a]2)(CCC)(H)	C(CC[6a]2O)(CCH)(CC)	C(C[6a]C[6a]2)2(CCH)	130.1420	0.000	1	130.1420	0.000	1	130.1420	0.000	1	127.6253	4.796	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	3:3:3:	C-3:C-3:H-1:	C-4:C-3:O-2:	O-3:C-3:C-3:	C(CCO)2(H)	C(CH3)(CCH)(OCu)	C(OCu2)(CCH)2	C(CCO)2(H)	C(CH3)(CCH)(OCu)	C(OCu2)(CCH)2	126.3670	0.301	2	126.3670	0.091	2	126.3670	0.091	2	127.6253	4.796	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	3:4:3:	C-3:C-3:H-1:	C[5]-4:C-3:O-2:	N-3:C-4:C-3:	C(CC[5]O)(CCN)(H)	C(C[5]C[5]2Fe)(CCH)(OCu)	C(NC[6a]Cu)(CH3)(CCH)	C(CC[5]O)(CCN)(H)	C(C[5]C[5]2Fe)(CCH)(OCu)	C(NC[6a]Cu)(CH3)(CCH)	128.2458	0.670	4	128.2458	0.449	4	126.1001	2.836	12	126.1001	2.836	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	3:4:3:	C-3:C-3:H-1:	C[5]-4:C-3:O-2:	N-3:C-4:C-3:	C(CC[5]O)(CCN)(H)	C(C[5]C[5]2Fe)(CCH)(ONi)	C(NC[6a]Ni)(CH3)(CCH)	C(CC[5]O)(CCN)(H)	C(C[5]C[5]2Fe)(CCH)(ONi)	C(NC[6a]Ni)(CH3)(CCH)	125.3484	0.432	5	125.3484	0.187	5	126.1001	2.836	12	126.1001	2.836	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	3:4:3:	C-3:C-3:H-1:	C[5]-4:C-3:O-2:	N-3:C-4:C-3:	C(CC[5]O)(CCN)(H)	C(C[5]C[5]2Fe)(CCH)(ONi)	C(NNiC)(CH3)(CCH)	C(CC[5]O)(CCN)(H)	C(C[5]C[5]2Fe)(CCH)(ONi)	C(NNiC)(CH3)(CCH)	124.4920	0.225	3	124.4920	0.051	3	126.1001	2.836	12	126.1001	2.836	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:1:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-1:	C(CCO)2(H)	C(CF3)(CCH)(OPd)	C(CF3)(CCH)(O)	C(CCO)2(H)	C(CF3)(CCH)(OPd)	C(CF3)(CCH)(O)	124.8930	0.000	1	124.8930	0.000	1	124.6833	19.306	8	124.8580	16.450	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:1:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-1:	C(CCO)2(H)	C(CH3)(CCH)(OC)	C(CHHO)(CCH)(O)	C(CCO)2(H)	C(CH3)(CCH)(OC)	C(CHHO)(CCH)(O)	134.2920	0.000	1	134.2920	0.000	1	124.6833	19.306	8	124.8580	16.450	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:1:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-1:	C(CCO)2(H)	C(CH3)(CCH)(OH)	C(CH3)(CCH)(O)	C(CCO)2(H)	C(CH3)(CCH)(OH)	C(CH3)(CCH)(O)	123.0468	2.311	6	123.0468	5.340	6	124.6833	19.306	8	124.8580	16.450	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:O-2:	C[5]-4:C-3:O-1:	C(CC[5]O)2(H)	C(C[5]C[5,5]C[5]H)(CCH)(OH)	C(C[5]C[5,5]C[5]H)(CCH)(O)	C(CC[5]O)2(H)	C(C[5]C[5,5]C[5]H)(CCH)(OH)	C(C[5]C[5,5]C[5]H)(CCH)(O)	120.2410	0.000	1	120.2410	0.000	1	120.2410	0.000	1	124.8580	16.450	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:1:	C-3:C-3:H-1:	P-4:C-3:C-2:	C-4:C-3:H-1:	C(CCH)(CCP)(H)	C(PC[6a]3)(CCH)(COs)	C(CH3)(CCH)(H)	C(CCH)(CCP)(H)	C(PC[6a]3)(CCH)(COs)	C(CH3)(CCH)(H)	127.7375	2.757	2	127.7375	7.601	2	127.7375	7.601	2	124.8580	16.450	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:1:	C-3:C-3:I-1:	C-4:C-3:N-2:	C-4:C-3:H-1:	C(CCH)(CCN)(I)	C(CCHH)(CCI)(NN)	C(CCHH)(CCI)(H)	C(CCH)(CCN)(I)	C(CCHH)(CCI)(NN)	C(CCHH)(CCI)(H)	125.1140	0.000	1	125.1140	0.000	1	125.1140	0.000	1	124.8580	16.450	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:N-2:	C(CCN)(CCO)(H)	C(CH3)(CCH)(OGa)	C(CH3)(CCH)(NC)	C(CCN)(CCO)(H)	C(CH3)(CCH)(OGa)	C(CH3)(CCH)(NC)	124.9570	0.000	1	124.9570	0.000	1	124.9570	0.000	1	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CC3)(CCH)(OAg)	C(CC3)(CCH)(OAg)	C(CCO)2(H)	C(CC3)(CCH)(OAg)	C(CC3)(CCH)(OAg)	126.8705	0.216	2	126.8705	0.047	2	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CC3)(CCH)(OCo)	C(CC3)(CCH)(OCo)	C(CCO)2(H)	C(CC3)(CCH)(OCo)	C(CC3)(CCH)(OCo)	127.3710	0.000	1	127.3710	0.000	1	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CC3)(CCH)(OCo)	C(CF3)(CCH)(OCo)	C(CCO)2(H)	C(CC3)(CCH)(OCo)	C(CF3)(CCH)(OCo)	124.2650	0.000	1	124.2650	0.000	1	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CC3)(CCH)(OCr)	C(CC3)(CCH)(OCr)	C(CCO)2(H)	C(CC3)(CCH)(OCr)	C(CC3)(CCH)(OCr)	123.7393	0.354	3	123.7393	0.126	3	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CC3)(CCH)(OCu)	C(CC3)(CCH)(OCu)	C(CCO)2(H)	C(CC3)(CCH)(OCu)	C(CC3)(CCH)(OCu)	124.8070	1.208	2	124.8070	1.459	2	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CC3)(CCH)(OFe)	C(CC3)(CCH)(OFe)	C(CCO)2(H)	C(CC3)(CCH)(OFe)	C(CC3)(CCH)(OFe)	125.3584	0.662	5	125.3584	0.438	5	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CC3)(CCH)(OFe)	C(CF3)(CCH)(OFe)	C(CCO)2(H)	C(CC3)(CCH)(OFe)	C(CF3)(CCH)(OFe)	122.2025	0.460	2	122.2025	0.212	2	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CC3)(CCH)(OIr)	C(CC3)(CCH)(OIr)	C(CCO)2(H)	C(CC3)(CCH)(OIr)	C(CC3)(CCH)(OIr)	130.0645	3.986	2	130.0645	15.888	2	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CC3)(CCH)(OMg)	C(CC3)(CCH)(OMg)	C(CCO)2(H)	C(CC3)(CCH)(OMg)	C(CC3)(CCH)(OMg)	125.2800	0.000	1	125.2800	0.000	1	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CC3)(CCH)(OMn)	C(CC3)(CCH)(OMn)	C(CCO)2(H)	C(CC3)(CCH)(OMn)	C(CC3)(CCH)(OMn)	124.7210	0.000	1	124.7210	0.000	1	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CC3)(CCH)(ONi)	C(CC3)(CCH)(ONi)	C(CCO)2(H)	C(CC3)(CCH)(ONi)	C(CC3)(CCH)(ONi)	125.9097	0.511	6	125.9097	0.261	6	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CC3)(CCH)(OPd)	C(CC3)(CCH)(OPd)	C(CCO)2(H)	C(CC3)(CCH)(OPd)	C(CC3)(CCH)(OPd)	127.7125	0.015	2	127.7125	0.000	2	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CC3)(CCH)(OPt)	C(CC3)(CCH)(OPt)	C(CCO)2(H)	C(CC3)(CCH)(OPt)	C(CC3)(CCH)(OPt)	127.4374	1.406	23	127.4374	1.976	23	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CC3)(CCH)(OSr)	C(CC3)(CCH)(OSr)	C(CCO)2(H)	C(CC3)(CCH)(OSr)	C(CC3)(CCH)(OSr)	125.0990	0.000	1	125.0990	0.000	1	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CC3)(CCH)(OZn)	C(CC3)(CCH)(OZn)	C(CCO)2(H)	C(CC3)(CCH)(OZn)	C(CC3)(CCH)(OZn)	127.1760	0.923	2	127.1760	0.853	2	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CCCH)(CCH)(OFe)	C(CCCH)(CCH)(OFe)	C(CCO)2(H)	C(CCCH)(CCH)(OFe)	C(CCCH)(CCH)(OFe)	124.0073	0.244	3	124.0073	0.060	3	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CC[5]HH)(CCH)(OIr)	C(CH3)(CCH)(OIr)	C(CCO)2(H)	C(CC[5]HH)(CCH)(OIr)	C(CH3)(CCH)(OIr)	127.5040	0.000	1	127.5040	0.000	1	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CF3)(CCH)(OAg)	C(CF3)(CCH)(OAg)	C(CCO)2(H)	C(CF3)(CCH)(OAg)	C(CF3)(CCH)(OAg)	124.0620	0.000	1	124.0620	0.000	1	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CF3)(CCH)(OBa)	C(CF3)(CCH)(OBa)	C(CCO)2(H)	C(CF3)(CCH)(OBa)	C(CF3)(CCH)(OBa)	122.7825	0.243	2	122.7825	0.059	2	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CF3)(CCH)(OCo)	C(CF3)(CCH)(OCo)	C(CCO)2(H)	C(CF3)(CCH)(OCo)	C(CF3)(CCH)(OCo)	121.9972	0.791	30	121.9972	0.626	30	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CF3)(CCH)(OCo)	C(CH3)(CCH)(OCo)	C(CCO)2(H)	C(CF3)(CCH)(OCo)	C(CH3)(CCH)(OCo)	123.0615	0.165	2	123.0615	0.027	2	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CF3)(CCH)(OCr)	C(CF3)(CCH)(OCr)	C(CCO)2(H)	C(CF3)(CCH)(OCr)	C(CF3)(CCH)(OCr)	120.5017	0.259	3	120.5017	0.067	3	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CF3)(CCH)(OCu)	C(CF3)(CCH)(OCu)	C(CCO)2(H)	C(CF3)(CCH)(OCu)	C(CF3)(CCH)(OCu)	121.1646	1.200	14	121.1646	1.440	14	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CF3)(CCH)(OCu)	C(CH3)(CCH)(OCu)	C(CCO)2(H)	C(CF3)(CCH)(OCu)	C(CH3)(CCH)(OCu)	122.8740	0.000	1	122.8740	0.000	1	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CF3)(CCH)(OEu)	C(CF3)(CCH)(OEu)	C(CCO)2(H)	C(CF3)(CCH)(OEu)	C(CF3)(CCH)(OEu)	122.6143	1.390	3	122.6143	1.933	3	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CF3)(CCH)(OFe)	C(CF3)(CCH)(OFe)	C(CCO)2(H)	C(CF3)(CCH)(OFe)	C(CF3)(CCH)(OFe)	121.7013	1.270	19	121.7013	1.612	19	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CF3)(CCH)(OMn)	C(CF3)(CCH)(OMn)	C(CCO)2(H)	C(CF3)(CCH)(OMn)	C(CF3)(CCH)(OMn)	121.8766	0.793	36	121.8766	0.629	36	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CF3)(CCH)(OMo)	C(CF3)(CCH)(OMo)	C(CCO)2(H)	C(CF3)(CCH)(OMo)	C(CF3)(CCH)(OMo)	123.0463	0.177	3	123.0463	0.031	3	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CF3)(CCH)(ONi)	C(CF3)(CCH)(ONi)	C(CCO)2(H)	C(CF3)(CCH)(ONi)	C(CF3)(CCH)(ONi)	122.0563	0.646	23	122.0563	0.417	23	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CF3)(CCH)(OPd)	C(CF3)(CCH)(OPd)	C(CCO)2(H)	C(CF3)(CCH)(OPd)	C(CF3)(CCH)(OPd)	122.9357	1.149	23	122.9357	1.320	23	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CF3)(CCH)(OPd)	C(CH3)(CCH)(OPd)	C(CCO)2(H)	C(CF3)(CCH)(OPd)	C(CH3)(CCH)(OPd)	124.8920	0.000	1	124.8920	0.000	1	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CF3)(CCH)(ORe)	C(CH3)(CCH)(ORe)	C(CCO)2(H)	C(CF3)(CCH)(ORe)	C(CH3)(CCH)(ORe)	124.5260	0.000	1	124.5260	0.000	1	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CF3)(CCH)(OSm)	C(CF3)(CCH)(OSm)	C(CCO)2(H)	C(CF3)(CCH)(OSm)	C(CF3)(CCH)(OSm)	121.3800	1.253	3	121.3800	1.569	3	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CF3)(CCH)(OZn)	C(CF3)(CCH)(OZn)	C(CCO)2(H)	C(CF3)(CCH)(OZn)	C(CF3)(CCH)(OZn)	122.1237	0.862	17	122.1237	0.743	17	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CH3)(CCH)(OAl)	C(CH3)(CCH)(OAl)	C(CCO)2(H)	C(CH3)(CCH)(OAl)	C(CH3)(CCH)(OAl)	123.1131	0.330	33	123.1131	0.109	33	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CH3)(CCH)(OBa)	C(CH3)(CCH)(OBa)	C(CCO)2(H)	C(CH3)(CCH)(OBa)	C(CH3)(CCH)(OBa)	127.4530	1.427	2	127.4530	2.036	2	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CH3)(CCH)(OCo)	C(CH3)(CCH)(OCo)	C(CCO)2(H)	C(CH3)(CCH)(OCo)	C(CH3)(CCH)(OCo)	125.3607	0.995	48	125.3607	0.990	48	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CH3)(CCH)(OCr)	C(CH3)(CCH)(OCr)	C(CCO)2(H)	C(CH3)(CCH)(OCr)	C(CH3)(CCH)(OCr)	125.0085	0.535	40	125.0085	0.286	40	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CH3)(CCH)(OCu)	C(CH3)(CCH)(OCu)	C(CCO)2(H)	C(CH3)(CCH)(OCu)	C(CH3)(CCH)(OCu)	124.6184	0.701	65	124.6184	0.492	65	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CH3)(CCH)(OFe)	C(CH3)(CCH)(OFe)	C(CCO)2(H)	C(CH3)(CCH)(OFe)	C(CH3)(CCH)(OFe)	124.5618	0.601	19	124.5618	0.362	19	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CH3)(CCH)(OIr)	C(CH3)(CCH)(OIr)	C(CCO)2(H)	C(CH3)(CCH)(OIr)	C(CH3)(CCH)(OIr)	128.0016	1.028	116	128.0016	1.057	116	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CH3)(CCH)(OMg)	C(CH3)(CCH)(OMg)	C(CCO)2(H)	C(CH3)(CCH)(OMg)	C(CH3)(CCH)(OMg)	124.9153	0.286	4	124.9153	0.082	4	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CH3)(CCH)(OMn)	C(CH3)(CCH)(OMn)	C(CCO)2(H)	C(CH3)(CCH)(OMn)	C(CH3)(CCH)(OMn)	124.9311	0.817	22	124.9311	0.668	22	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CH3)(CCH)(OMo)	C(CH3)(CCH)(OMo)	C(CCO)2(H)	C(CH3)(CCH)(OMo)	C(CH3)(CCH)(OMo)	123.3995	1.073	6	123.3995	1.151	6	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CH3)(CCH)(ONi)	C(CH3)(CCH)(ONi)	C(CCO)2(H)	C(CH3)(CCH)(ONi)	C(CH3)(CCH)(ONi)	125.1123	1.587	56	125.1123	2.518	56	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CH3)(CCH)(OOs)	C(CH3)(CCH)(OOs)	C(CCO)2(H)	C(CH3)(CCH)(OOs)	C(CH3)(CCH)(OOs)	126.3104	0.479	5	126.3104	0.229	5	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CH3)(CCH)(OPd)	C(CH3)(CCH)(OPd)	C(CCO)2(H)	C(CH3)(CCH)(OPd)	C(CH3)(CCH)(OPd)	127.0170	0.819	43	127.0170	0.671	43	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CH3)(CCH)(OPt)	C(CH3)(CCH)(OPt)	C(CCO)2(H)	C(CH3)(CCH)(OPt)	C(CH3)(CCH)(OPt)	127.1679	1.074	91	127.1679	1.153	91	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CH3)(CCH)(ORe)	C(CH3)(CCH)(ORe)	C(CCO)2(H)	C(CH3)(CCH)(ORe)	C(CH3)(CCH)(ORe)	127.0897	1.354	4	127.0897	1.832	4	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CH3)(CCH)(ORh)	C(CH3)(CCH)(ORh)	C(CCO)2(H)	C(CH3)(CCH)(ORh)	C(CH3)(CCH)(ORh)	126.2162	0.694	28	126.2162	0.482	28	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CH3)(CCH)(ORu)	C(CH3)(CCH)(ORu)	C(CCO)2(H)	C(CH3)(CCH)(ORu)	C(CH3)(CCH)(ORu)	127.2927	0.902	97	127.2927	0.814	97	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CH3)(CCH)(OSn)	C(CH3)(CCH)(OSn)	C(CCO)2(H)	C(CH3)(CCH)(OSn)	C(CH3)(CCH)(OSn)	128.3930	0.000	1	128.3930	0.000	1	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CH3)(CCH)(OTi)	C(CH3)(CCH)(OTi)	C(CCO)2(H)	C(CH3)(CCH)(OTi)	C(CH3)(CCH)(OTi)	123.1625	0.934	2	123.1625	0.873	2	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CH3)(CCH)(OV)	C(CH3)(CCH)(OV)	C(CCO)2(H)	C(CH3)(CCH)(OV)	C(CH3)(CCH)(OV)	122.6920	0.000	1	122.6920	0.000	1	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CH3)(CCH)(OW)	C(CH3)(CCH)(OW)	C(CCO)2(H)	C(CH3)(CCH)(OW)	C(CH3)(CCH)(OW)	124.5520	2.134	2	124.5520	4.554	2	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(H)	C(CH3)(CCH)(OZn)	C(CH3)(CCH)(OZn)	C(CCO)2(H)	C(CH3)(CCH)(OZn)	C(CH3)(CCH)(OZn)	125.7054	0.969	24	125.7054	0.938	24	125.4058	5.277	949	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-3:S-2:	C(CCO)(CCS)(H)	C(CH3)(CCH)(OIr)	C(CH3)(CCH)(SIr)	C(CCO)(CCS)(H)	C(CH3)(CCH)(OIr)	C(CH3)(CCH)(SIr)	130.1050	0.000	1	130.1050	0.000	1	130.1050	0.000	1	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:S-2:	C-4:C-3:S-2:	C(CCS)2(H)	C(CH3)(CCH)(SNi)	C(CH3)(CCH)(SNi)	C(CCS)2(H)	C(CH3)(CCH)(SNi)	C(CH3)(CCH)(SNi)	129.7703	0.225	3	129.7703	0.051	3	129.7703	0.051	3	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C[5]-4:C-3:O-2:	C-4:C-3:O-2:	C(CC[5]O)(CCO)(H)	C(C[5]C[5]2Fe)(CCH)(OAl)	C(CF3)(CCH)(OAl)	C(CC[5]O)(CCO)(H)	C(C[5]C[5]2Fe)(CCH)(OAl)	C(CF3)(CCH)(OAl)	121.9250	0.279	3	121.9250	0.078	3	123.3343	2.202	7	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C[5]-4:C-3:O-2:	C-4:C-3:O-2:	C(CC[5]O)(CCO)(H)	C(C[5]C[5]2Fe)(CCH)(OCo)	C(CF3)(CCH)(OCo)	C(CC[5]O)(CCO)(H)	C(C[5]C[5]2Fe)(CCH)(OCo)	C(CF3)(CCH)(OCo)	123.9995	0.788	2	123.9995	0.622	2	123.3343	2.202	7	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C[5]-4:C-3:O-2:	C-4:C-3:O-2:	C(CC[5]O)(CCO)(H)	C(C[5]C[5]2Fe)(CCH)(OCu)	C(CF3)(CCH)(OCu)	C(CC[5]O)(CCO)(H)	C(C[5]C[5]2Fe)(CCH)(OCu)	C(CF3)(CCH)(OCu)	125.6170	0.000	1	125.6170	0.000	1	123.3343	2.202	7	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:H-1:	C[5]-4:C-3:O-2:	C-4:C-3:O-2:	C(CC[5]O)(CCO)(H)	C(C[5]C[5]2Fe)(CCH)(OCu)	C(CH3)(CCH)(OCu)	C(CC[5]O)(CCO)(H)	C(C[5]C[5]2Fe)(CCH)(OCu)	C(CH3)(CCH)(OCu)	123.9490	0.000	1	123.9490	0.000	1	123.3343	2.202	7	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:3:2:	C-3:C-3:I-1:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(I)	C(CH3)(CCI)(ORu)	C(CH3)(CCI)(ORu)	C(CCO)2(I)	C(CH3)(CCI)(ORu)	C(CH3)(CCI)(ORu)	126.6240	0.513	6	126.6240	0.263	6	126.6240	0.263	6	125.4163	5.316	967	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:2:	4:4:3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C-4:C-4:C-3:	C(CCC)(CCO)(H)	C(CH3)(CCH)(OC)	C(CH3)2(CCH)	C(CCC)(CCO)(H)	C(CH3)(CCH)(OC)	C(CH3)2(CCH)	127.1150	0.000	1	127.1150	0.000	1	127.1150	0.000	1	127.1150	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:1:1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:H-1:H-1:	C(CCC)(CHH)(H)	C(CCCH)(CCH)(CHH)	C(CCH)(H)2	C(CCC)(CHH)(H)	C(CCCH)(CCH)(CHH)	C(CCH)(H)2	126.6350	0.000	1	126.6350	0.000	1	127.0695	1.501	10	127.1998	16.160	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:1:1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:H-1:H-1:	C(CCC)(CHH)(H)	C(CCHH)(CCH)(CHH)	C(CCH)(H)2	C(CCC)(CHH)(H)	C(CCHH)(CCH)(CHH)	C(CCH)(H)2	127.0313	0.624	3	127.0313	0.390	3	127.0695	1.501	10	127.1998	16.160	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:1:1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:H-1:H-1:	C(CCC)(CHH)(H)	C(CCHH)(CCH)2	C(CCH)(H)2	C(CCC)(CHH)(H)	C(CCHH)(CCH)2	C(CCH)(H)2	128.3465	0.305	2	128.3465	0.093	2	127.0695	1.501	10	127.1998	16.160	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:1:1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:H-1:H-1:	C(CCC)(CHH)(H)	C(CCHO)(CCH)(CHH)	C(CCH)(H)2	C(CCC)(CHH)(H)	C(CCHO)(CCH)(CHH)	C(CCH)(H)2	127.3180	0.000	1	127.3180	0.000	1	127.0695	1.501	10	127.1998	16.160	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:1:1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:H-1:H-1:	C(CCC)(CHH)(H)	C(CH3)(CCH)(CHS)	C(CCH)(H)2	C(CCC)(CHH)(H)	C(CH3)(CCH)(CHS)	C(CCH)(H)2	124.3100	0.000	1	124.3100	0.000	1	127.0695	1.501	10	127.1998	16.160	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:1:1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:H-1:H-1:	C(CCC)(CHH)(H)	C(CH3)(CCH)2	C(CCH)(H)2	C(CCC)(CHH)(H)	C(CH3)(CCH)2	C(CCH)(H)2	127.3225	1.175	2	127.3225	1.379	2	127.0695	1.501	10	127.1998	16.160	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:1:1:	C-3:C-3:H-1:	C[5]-4:C-3:C-3:	C-3:H-1:H-1:	C(CC[5]C)(CHH)(H)	C(C[5]C[5]2C)(CCC)(CCH)	C(CCH)(H)2	C(CC[5]C)(CHH)(H)	C(C[5]C[5]2C)(CCC)(CCH)	C(CCH)(H)2	139.6490	0.000	1	139.6490	0.000	1	139.6490	0.000	1	127.1998	16.160	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:1:1:	C-3:C-3:H-1:	C[5]-4:C[6a]-3:C-3:	C-3:H-1:O-1:	C(CC[6a]C[5])(CHO)(H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCH)	C(CCH)(H)(O)	C(CC[6a]C[5])(CHO)(H)	C(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCH)	C(CCH)(H)(O)	123.4843	0.054	3	123.4843	0.003	3	123.4843	0.003	3	127.1998	16.160	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:2:1:	C-3:C-3:Cl-1:	S-4:C-3:C-3:	C-3:O-2:O-1:	C(CCS)(COO)(Cl)	C(SC[6a]OO)(CClC)(COO)	C(CClC)(OC)(O)	C(CCS)(COO)(Cl)	C(SC[6a]OO)(CClC)(COO)	C(CClC)(OC)(O)	121.0840	0.000	1	121.0840	0.000	1	121.0840	0.000	1	124.7102	5.970	42	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:2:1:	C-3:C-3:H-1:	B-4:C-3:C-3:	C-3:O-2:O-1:	C(CBC)(COO)(H)	C(BC[5]HH)(CCH)(COO)	C(CCH)(OC)(O)	C(CBC)(COO)(H)	C(BC[5]HH)(CCH)(COO)	C(CCH)(OC)(O)	121.6440	0.000	1	121.6440	0.000	1	121.6440	0.000	1	124.7102	5.970	42	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:O-2:O-1:	C(CCC)(COO)(H)	C(CC3)(CCH)(COO)	C(CCH)(OC)(O)	C(CCC)(COO)(H)	C(CC3)(CCH)(COO)	C(CCH)(OC)(O)	126.0610	0.000	1	126.0610	0.000	1	125.2113	4.933	17	124.7102	5.970	42	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:O-2:O-1:	C(CCC)(COO)(H)	C(CCCN)(CCH)(COO)	C(CCH)(OC)(O)	C(CCC)(COO)(H)	C(CCCN)(CCH)(COO)	C(CCH)(OC)(O)	123.5740	0.000	1	123.5740	0.000	1	125.2113	4.933	17	124.7102	5.970	42	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:O-2:O-1:	C(CCC)(COO)(H)	C(CCHH)(CCC)(CCH)	C(CCH)(OC)(O)	C(CCC)(COO)(H)	C(CCHH)(CCC)(CCH)	C(CCH)(OC)(O)	124.2980	0.000	1	124.2980	0.000	1	125.2113	4.933	17	124.7102	5.970	42	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:O-2:O-1:	C(CCC)(COO)(H)	C(CCHH)(CCH)(COO)	C(CCH)(OC)(O)	C(CCC)(COO)(H)	C(CCHH)(CCH)(COO)	C(CCH)(OC)(O)	124.4920	0.000	1	124.4920	0.000	1	125.2113	4.933	17	124.7102	5.970	42	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:O-2:O-1:	C(CCC)(COO)(H)	C(CCHH)(CCH)(COO)	C(CCH)(OH)(O)	C(CCC)(COO)(H)	C(CCHH)(CCH)(COO)	C(CCH)(OH)(O)	123.8877	5.186	3	123.8877	26.894	3	125.2113	4.933	17	124.7102	5.970	42	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:O-2:O-1:	C(CCC)(COO)(H)	C(CH3)(CCH)(COO)	C(CCH)(OH)(O)	C(CCC)(COO)(H)	C(CH3)(CCH)(COO)	C(CCH)(OH)(O)	125.8808	1.170	9	125.8808	1.370	9	125.2113	4.933	17	124.7102	5.970	42	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:O-2:O-1:	C(CCC)(COO)(H)	C(CH3)(CCH)(COO)	C(CCH)(OZn)(O)	C(CCC)(COO)(H)	C(CH3)(CCH)(COO)	C(CCH)(OZn)(O)	125.5770	0.000	1	125.5770	0.000	1	125.2113	4.933	17	124.7102	5.970	42	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-3:O-2:O-1:	C(CCN)(COO)(H)	C(CCCH)(CCH)(NCH)	C(CCH)(OC)(O)	C(CCN)(COO)(H)	C(CCCH)(CCH)(NCH)	C(CCH)(OC)(O)	125.9120	0.000	1	125.9120	0.000	1	125.0043	4.047	13	124.7102	5.970	42	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-3:O-2:O-1:	C(CCN)(COO)(H)	C(CCHH)(CCH)(NCH)	C(CCH)(OC)(O)	C(CCN)(COO)(H)	C(CCHH)(CCH)(NCH)	C(CCH)(OC)(O)	124.0500	0.000	1	124.0500	0.000	1	125.0043	4.047	13	124.7102	5.970	42	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-3:O-2:O-1:	C(CCN)(COO)(H)	C(CC[6a]CH)(CCH)(NOO)	C(CCH)(OC)(O)	C(CCN)(COO)(H)	C(CC[6a]CH)(CCH)(NOO)	C(CCH)(OC)(O)	127.9330	0.000	1	127.9330	0.000	1	125.0043	4.047	13	124.7102	5.970	42	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-3:O-2:O-1:	C(CCN)(COO)(H)	C(CF3)(CCH)(NCS)	C(CCH)(OC)(O)	C(CCN)(COO)(H)	C(CF3)(CCH)(NCS)	C(CCH)(OC)(O)	128.0310	1.636	2	128.0310	2.677	2	125.0043	4.047	13	124.7102	5.970	42	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-3:O-2:O-1:	C(CCN)(COO)(H)	C(CH3)(CCH)(NCH)	C(CCH)(OC)(O)	C(CCN)(COO)(H)	C(CH3)(CCH)(NCH)	C(CCH)(OC)(O)	124.1514	0.750	7	124.1514	0.562	7	125.0043	4.047	13	124.7102	5.970	42	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:2:1:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-3:O-2:O-1:	C(CCN)(COO)(H)	C(CH3)(CCH)(NHH)	C(CCH)(OC)(O)	C(CCN)(COO)(H)	C(CH3)(CCH)(NHH)	C(CCH)(OC)(O)	122.0390	0.000	1	122.0390	0.000	1	125.0043	4.047	13	124.7102	5.970	42	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:2:1:	C-3:C-3:H-1:	C[3]-4:C-3:C-3:	C-3:O-2:O-1:	C(CC[3]C)(COO)(H)	C(C[3]C[3]2H)(CCH)(COO)	C(CCH)(OC)(O)	C(CC[3]C)(COO)(H)	C(C[3]C[3]2H)(CCH)(COO)	C(CCH)(OC)(O)	126.3810	0.000	1	126.3810	0.000	1	126.3810	0.000	1	124.7102	5.970	42	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:2:1:	C-3:C-3:H-1:	C[5]-4:C-3:N-3:	C-3:O-2:O-1:	C(CC[5]N)(COO)(H)	C(C[5]C[5]N[5]H)(CCH)(NHH)	C(CCH)(OC)(O)	C(CC[5]N)(COO)(H)	C(C[5]C[5]N[5]H)(CCH)(NHH)	C(CCH)(OC)(O)	122.0570	0.000	1	122.0570	0.000	1	122.0570	0.000	1	124.7102	5.970	42	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:2:1:	C-3:C-3:H-1:	C[6]-4:C-3:C-3:	C-3:O-2:O-1:	C(CC[6]C)(COO)(H)	C(C[6]C[6,6a]C[6]H)(CCH)(COO)	C(CCH)(OC)(O)	C(CC[6]C)(COO)(H)	C(C[6]C[6,6a]C[6]H)(CCH)(COO)	C(CCH)(OC)(O)	128.7040	0.611	2	128.7040	0.373	2	127.0863	8.037	3	124.7102	5.970	42	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:2:1:	C-3:C-3:H-1:	C[6]-4:C-3:C-3:	C-3:O-2:O-1:	C(CC[6]C)(COO)(H)	C(C[6]C[6]2H)(CCH)(COO)	C(CCH)(OC)(O)	C(CC[6]C)(COO)(H)	C(C[6]C[6]2H)(CCH)(COO)	C(CCH)(OC)(O)	123.8510	0.000	1	123.8510	0.000	1	127.0863	8.037	3	124.7102	5.970	42	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:2:1:	C-3:C-3:H-1:	N[5]-4:C-3:C-3:	C-3:O-2:O-1:	C(CN[5]C)(COO)(H)	C(N[5]C[5]2O)(CCH)(COO)	C(CCH)(OC)(O)	C(CN[5]C)(COO)(H)	C(N[5]C[5]2O)(CCH)(COO)	C(CCH)(OC)(O)	122.6710	0.600	2	122.6710	0.360	2	122.6710	0.360	2	124.7102	5.970	42	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:2:1:	C-3:C-3:H-1:	P-4:C-3:C-3:	C-3:O-2:O-1:	C(CCP)(COO)(H)	C(PC[6a]2Mo)(CCH)(COO)	C(CCH)(OC)(O)	C(CCP)(COO)(H)	C(PC[6a]2Mo)(CCH)(COO)	C(CCH)(OC)(O)	123.9980	0.000	1	123.9980	0.000	1	123.9980	0.000	1	124.7102	5.970	42	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:2:1:	C-3:C-3:O-1:	N-4:C-3:C-3:	C-3:O-2:O-1:	C(CCN)(COO)(O)	C(NReHH)(CCO)(COO)	C(CCO)(OC)(O)	C(CCN)(COO)(O)	C(NReHH)(CCO)(COO)	C(CCO)(OC)(O)	123.7320	0.000	1	123.7320	0.000	1	123.7320	0.000	1	124.7102	5.970	42	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:2:1:	C-3:C-3:O-1:	P[5]-4:C-3:C-3:	C-3:O-2:O-1:	C(CP[5]C)(COO)(O)	C(P[5]C[6a]C[5]2)(CCO)(COO)	C(CCO)(OC)(O)	C(CP[5]C)(COO)(O)	C(P[5]C[6a]C[5]2)(CCO)(COO)	C(CCO)(OC)(O)	118.6820	0.000	1	118.6820	0.000	1	118.6820	0.000	1	124.7102	5.970	42	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:2:2:	C-3:C-3:H-1:	C-4:C[6a]-3:C-3:	C-3:O-2:O-2:	C(CC[6a]C)(COO)(H)	C(CB[4x3,4,5x5,21x6]CoH)(C[6a]C[6a]2)(CCH)	C(CCH)(OCo)(OC)	C(CC[6a]C)(COO)(H)	C(CB[4x3,4,5x5,21x6]CoH)(C[6a]C[6a]2)(CCH)	C(CCH)(OCo)(OC)	121.9140	0.000	1	121.9140	0.000	1	121.9140	0.000	1	123.6685	2.104	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:2:2:	C-3:C-3:H-1:	C-4:O-3:C-3:	C-3:O-2:O-2:	C(CCO)(COO)(H)	C(CCHH)(OZn2)(CCH)	C(CCH)(OZn)(OC)	C(CCO)(COO)(H)	C(CCHH)(OZn2)(CCH)	C(CCH)(OZn)(OC)	123.6470	0.034	2	123.6470	0.001	2	123.6470	0.001	2	123.6685	2.104	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:2:2:	C-3:C-3:H-1:	C[5]-4:C-3:C-3:	C-3:C-2:C-2:	C(CC[5]C)(CCC)(H)	C(C[5]C[5]2Fe)(CCC)(CCH)	C(CCH)(CN)2	C(CC[5]C)(CCC)(H)	C(C[5]C[5]2Fe)(CCC)(CCH)	C(CCH)(CN)2	125.4660	0.000	1	125.4660	0.000	1	125.4660	0.000	1	123.6685	2.104	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:Br-1:	C-4:C-3:C-3:	C-3:C-3:O-1:	C(CCC)(CCO)(Br)	C(CCCH)(CBrC)(CCH)	C(CBrC)(CCO)(O)	C(CCC)(CCO)(Br)	C(CCCH)(CBrC)(CCH)	C(CBrC)(CCO)(O)	131.3100	0.000	1	131.3100	0.000	1	131.3100	0.000	1	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CCCH)(CBrC)(CCH)	C(CBrC)(CCH)(H)	C(CCC)(CCH)(H)	C(CCCH)(CBrC)(CCH)	C(CBrC)(CCH)(H)	131.2750	0.000	1	131.2750	0.000	1	127.7093	3.392	56	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CCCH)(CCH)2	C(CCH)2(H)	C(CCC)(CCH)(H)	C(CCCH)(CCH)2	C(CCH)2(H)	128.9137	0.577	3	128.9137	0.332	3	127.7093	3.392	56	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CCHH)(CCH)2	C(CCH)2(H)	C(CCC)(CCH)(H)	C(CCHH)(CCH)2	C(CCH)2(H)	123.9398	1.722	4	123.9398	2.964	4	127.7093	3.392	56	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CCHO)(CCH)(CHN)	C(CCH)2(H)	C(CCC)(CCH)(H)	C(CCHO)(CCH)(CHN)	C(CCH)2(H)	127.9060	0.000	1	127.9060	0.000	1	127.7093	3.392	56	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CC[6a]HN)(CCH)(CCO)	C(CCH)(CHH)(H)	C(CCC)(CCH)(H)	C(CC[6a]HN)(CCH)(CCO)	C(CCH)(CHH)(H)	129.4000	0.000	1	129.4000	0.000	1	127.7093	3.392	56	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CC[6a]HN)(CC[6a]O)(CCH)	C(CCH)(CHH)(H)	C(CCC)(CCH)(H)	C(CC[6a]HN)(CC[6a]O)(CCH)	C(CCH)(CHH)(H)	127.1770	0.000	1	127.1770	0.000	1	127.7093	3.392	56	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CH3)(CCH)(CHO)	C(CCH)2(H)	C(CCC)(CCH)(H)	C(CH3)(CCH)(CHO)	C(CCH)2(H)	125.7700	0.000	1	125.7700	0.000	1	127.7093	3.392	56	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CH3)(CCH)(CNO)	C(CCH)2(H)	C(CCC)(CCH)(H)	C(CH3)(CCH)(CNO)	C(CCH)2(H)	127.6581	1.986	14	127.6581	3.944	14	127.7093	3.392	56	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CH3)(CCH)(COO)	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	C(CH3)(CCH)(COO)	C(CCC)(CCH)(H)	127.2653	1.123	3	127.2653	1.260	3	127.7093	3.392	56	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CH3)(CCH)2	C(CCH)2(H)	C(CCC)(CCH)(H)	C(CH3)(CCH)2	C(CCH)2(H)	127.6811	1.032	16	127.6811	1.065	16	127.7093	3.392	56	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CHHO)(CCC)(CCH)	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	C(CHHO)(CCC)(CCH)	C(CCC)(CCH)(H)	128.6862	0.717	6	128.6862	0.514	6	127.7093	3.392	56	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CHHP)(CIrC)(CCH)	C(CCH)2(H)	C(CCC)(CCH)(H)	C(CHHP)(CIrC)(CCH)	C(CCH)2(H)	126.7370	0.000	1	126.7370	0.000	1	127.7093	3.392	56	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CN[5a]HH)(CCC)(CCH)	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	C(CN[5a]HH)(CCC)(CCH)	C(CCC)(CCH)(H)	127.9150	0.252	2	127.9150	0.063	2	127.7093	3.392	56	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CSiHH)(CCH)2	C(CCH)2(H)	C(CCC)(CCH)(H)	C(CSiHH)(CCH)2	C(CCH)2(H)	130.5500	0.472	2	130.5500	0.223	2	127.7093	3.392	56	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(CCHH)(CCH)(NOO)	C(CCH)(CHN)(H)	C(CCH)(CCN)(H)	C(CCHH)(CCH)(NOO)	C(CCH)(CHN)(H)	122.7890	0.000	1	122.7890	0.000	1	123.6257	0.692	3	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(CH3)(CCH)(NOO)	C(CCH)(CCN)(H)	C(CCH)(CCN)(H)	C(CH3)(CCH)(NOO)	C(CCH)(CCN)(H)	123.6350	0.000	1	123.6350	0.000	1	123.6257	0.692	3	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(CH3)(CCH)(NOO)	C(CCH)(CHN)(H)	C(CCH)(CCN)(H)	C(CH3)(CCH)(NOO)	C(CCH)(CHN)(H)	124.4530	0.000	1	124.4530	0.000	1	123.6257	0.692	3	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-3:C-3:O-1:	C(CCN)(CCO)(H)	C(CCHH)(CCH)(NCH)	C(CCH)(CCO)(O)	C(CCN)(CCO)(H)	C(CCHH)(CCH)(NCH)	C(CCH)(CCO)(O)	131.7030	0.000	1	131.7030	0.000	1	125.8185	15.594	4	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-3:C-3:O-1:	C(CCN)(CCO)(H)	C(CH3)(CCH)(NCH)	C(CCH)2(O)	C(CCN)(CCO)(H)	C(CH3)(CCH)(NCH)	C(CCH)2(O)	123.8570	0.553	3	123.8570	0.306	3	125.8185	15.594	4	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	C-4:C[6a]-3:C-3:	C[6]-3:C-3:H-1:	C(CC[6a]C)(CC[6]H)(H)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCH)	C(C[6]C[5a,6]C[6])(CCH)(H)	C(CC[6a]C)(CC[6]H)(H)	C(CC[5a]C[6a]H)(C[6a]C[6a]2)(CCH)	C(C[6]C[5a,6]C[6])(CCH)(H)	133.3090	0.000	1	133.3090	0.000	1	133.3090	0.000	1	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	C-4:N-3:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]O)(CCN)(H)	C(CC[6a]HH)(NC[6a]H)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]O)(CCN)(H)	C(CC[6a]HH)(NC[6a]H)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	123.7170	0.648	2	123.7170	0.420	2	123.7170	0.420	2	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	C[3x6]-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[3x6]C)(CC[6a]H)(H)	C(C[3x6]C[6,6]3)(CCH)(CHH)	C(C[6a]C[6a]2)(CCH)(H)	C(CC[3x6]C)(CC[6a]H)(H)	C(C[3x6]C[6,6]3)(CCH)(CHH)	C(C[6a]C[6a]2)(CCH)(H)	125.1580	0.027	2	125.1580	0.001	2	125.1580	0.001	2	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:C-3:	C-3:C-3:H-1:	C(CC[5]C)(CCH)(H)	C(C[5]C[5]2Co)(CCH)2	C(CCH)2(H)	C(CC[5]C)(CCH)(H)	C(C[5]C[5]2Co)(CCH)2	C(CCH)2(H)	130.3770	0.561	2	130.3770	0.315	2	131.0814	0.671	14	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:C-3:	C-3:C-3:H-1:	C(CC[5]C)(CCH)(H)	C(C[5]C[5]2Fe)(CCH)2	C(CCH)(CCN)(H)	C(CC[5]C)(CCH)(H)	C(C[5]C[5]2Fe)(CCH)2	C(CCH)(CCN)(H)	131.2470	0.990	4	131.2470	0.981	4	131.0814	0.671	14	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:C-3:	C-3:C-3:H-1:	C(CC[5]C)(CCH)(H)	C(C[5]C[5]2Fe)(CCH)2	C(CCH)(CCO)(H)	C(CC[5]C)(CCH)(H)	C(C[5]C[5]2Fe)(CCH)2	C(CCH)(CCO)(H)	131.1747	0.783	8	131.1747	0.613	8	131.0814	0.671	14	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-3:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]O)(CC[5]C)(H)	C(C[5]C[5]S[5]C)(CCH)(COO)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]O)(CC[5]C)(H)	C(C[5]C[5]S[5]C)(CCH)(COO)	C(C[6a]C[6a]2)(CCH)(O)	130.6090	0.000	1	130.6090	0.000	1	130.6090	0.000	1	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	C[6]-4:C-3:C-3:	C-3:C-3:Br-1:	C(CC[6]C)(CBrC)(H)	C(C[6]C[6,6a]2C)(CCH)2	C(CCH)(CCO)(Br)	C(CC[6]C)(CBrC)(H)	C(C[6]C[6,6a]2C)(CCH)2	C(CCH)(CCO)(Br)	131.3570	0.000	1	131.3570	0.000	1	131.3570	0.000	1	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	C[6]-4:C-3:C-3:	C-3:C-3:H-1:	C(CC[6]C)(CCH)(H)	C(C[6]C[6,6a]2C)(CCH)(CCO)	C(CCH)2(H)	C(CC[6]C)(CCH)(H)	C(C[6]C[6,6a]2C)(CCH)(CCO)	C(CCH)2(H)	131.0230	0.130	4	131.0230	0.017	4	130.5651	1.689	7	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	C[6]-4:C-3:C-3:	C-3:C-3:H-1:	C(CC[6]C)(CCH)(H)	C(C[6]C[6,6a]2C)(CCH)2	C(CCH)2(H)	C(CC[6]C)(CCH)(H)	C(C[6]C[6,6a]2C)(CCH)2	C(CCH)2(H)	127.6380	0.000	1	127.6380	0.000	1	130.5651	1.689	7	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	C[6]-4:C-3:C-3:	C-3:C-3:H-1:	C(CC[6]C)(CCH)(H)	C(C[6]C[6]2H)(CC[6a]O)(CCH)	C(CC[6]H)(CCH)(H)	C(CC[6]C)(CCH)(H)	C(C[6]C[6]2H)(CC[6a]O)(CCH)	C(CC[6]H)(CCH)(H)	131.1130	0.273	2	131.1130	0.074	2	130.5651	1.689	7	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	C[6]-4:N-3:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]O)(CC[6]N)(H)	C(C[6]C[6]2H)(NC[6]H)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]O)(CC[6]N)(H)	C(C[6]C[6]2H)(NC[6]H)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	124.3075	0.293	2	124.3075	0.086	2	124.3075	0.086	2	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	N-4:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(H)	C(NCuCC)(CCH)(CCO)	C(CC[5]C)(CCH)(H)	C(CCH)(CCN)(H)	C(NCuCC)(CCH)(CCO)	C(CC[5]C)(CCH)(H)	131.6650	0.000	1	131.6650	0.000	1	131.6650	0.000	1	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	P-4:C-3:C-3:	C-3:C-3:Cl-1:	C(CClC)(CCP)(H)	C(PC[6a]3)(COsH)(CCH)	C(COsH)(CCH)(Cl)	C(CClC)(CCP)(H)	C(PC[6a]3)(COsH)(CCH)	C(COsH)(CCH)(Cl)	124.7100	0.000	1	124.7100	0.000	1	124.7100	0.000	1	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	P-4:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCP)(H)	C(PC[6a]3)(COsH)(CCH)	C(COsH)(CCH)(H)	C(CCH)(CCP)(H)	C(PC[6a]3)(COsH)(CCH)	C(COsH)(CCH)(H)	123.4825	0.107	2	123.4825	0.011	2	123.4825	0.011	2	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	S-4:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCS)(H)	C(SC[6a]OO)(CCH)(COO)	C(CCH)(CHN)(H)	C(CCH)(CCS)(H)	C(SC[6a]OO)(CCH)(COO)	C(CCH)(CHN)(H)	131.4000	0.000	1	131.4000	0.000	1	130.0555	3.615	2	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:H-1:	S-4:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCS)(H)	C(SC[6a]OO)(CCH)(COO)	C(CC[6a]H)(CCH)(H)	C(CCH)(CCS)(H)	C(SC[6a]OO)(CCH)(COO)	C(CC[6a]H)(CCH)(H)	128.7110	0.000	1	128.7110	0.000	1	130.0555	3.615	2	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:O-1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(O)	C(CC[5a]CH)(CCO)(CSS)	C(CC[5a]H)(CCO)(H)	C(CCC)(CCH)(O)	C(CC[5a]CH)(CCO)(CSS)	C(CC[5a]H)(CCO)(H)	116.7700	0.000	1	116.7700	0.000	1	116.3297	1.370	3	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:O-1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(O)	C(CH3)(CCH)(CCO)	C(CCH)(CCO)(H)	C(CCC)(CCH)(O)	C(CH3)(CCH)(CCO)	C(CCH)(CCO)(H)	116.1095	1.565	2	116.1095	2.449	2	116.3297	1.370	3	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:O-1:	C[6]-4:C-3:C-3:	C-3:C-3:Br-1:	C(CC[6]C)(CBrC)(O)	C(C[6]C[6,6a]2C)(CCH)(CCO)	C(CCH)(CCO)(Br)	C(CC[6]C)(CBrC)(O)	C(C[6]C[6,6a]2C)(CCH)(CCO)	C(CCH)(CCO)(Br)	121.7883	0.275	3	121.7883	0.076	3	121.7883	0.076	3	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:1:	C-3:C-3:O-1:	C[6]-4:C-3:C-3:	C-3:C-3:H-1:	C(CC[6]C)(CCH)(O)	C(C[6]C[6,6a]2C)(CCH)(CCO)	C(CCH)(CCO)(H)	C(CC[6]C)(CCH)(O)	C(C[6]C[6,6a]2C)(CCH)(CCO)	C(CCH)(CCO)(H)	123.0250	0.000	1	123.0250	0.000	1	123.0250	0.000	1	127.5584	11.885	107	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:2:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:C-3:O-2:	C(CCC)(CCO)(H)	C(CH3)(CCC)(CCH)	C(CCH)(CCO)(OH)	C(CCC)(CCO)(H)	C(CH3)(CCC)(CCH)	C(CCH)(CCO)(OH)	131.5350	0.000	1	131.5350	0.000	1	131.5350	0.000	1	131.5350	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:3:	C-3:C-3:Br-1:	C-4:C-3:N-3:	C-3:N-3:N-3:	C(CCN)(CNN)(Br)	C(CCCO)(CBrC)(NCC)	C(CBrC)(NCC)2	C(CCN)(CNN)(Br)	C(CCCO)(CBrC)(NCC)	C(CBrC)(NCC)2	129.3440	0.000	1	129.3440	0.000	1	129.3440	0.000	1	128.4436	1.389	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-3:C-3:C-3:	C(CCC)2(H)	C(CN[5a]CH)(CCH)(CCO)	C(CC[5a]H)(CCH)(CCO)	C(CCC)2(H)	C(CN[5a]CH)(CCH)(CCO)	C(CC[5a]H)(CCH)(CCO)	128.9620	0.395	2	128.9620	0.156	2	128.9620	0.156	2	128.4436	1.389	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	3:3:3:	C-3:C-3:H-1:	C[3x6]-4:N-3:C-3:	C[6a]-3:N-3:C-3:	C(CC[3x6]N)(CC[6a]N)(H)	C(C[3x6]C[6,6]3)(NAlSi)(CCH)	C(C[6a]C[6a]2)(NAlSi)(CCH)	C(CC[3x6]N)(CC[6a]N)(H)	C(C[3x6]C[6,6]3)(NAlSi)(CCH)	C(C[6a]C[6a]2)(NAlSi)(CCH)	127.4750	1.475	2	127.4750	2.176	2	127.4750	2.176	2	128.4436	1.389	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	4:3:1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C(CCC)(CCH)(H)	C(CC3)(CCH)(CHN)	C(CCCH)(CCH)(H)	C(CCC)(CCH)(H)	C(CC3)(CCH)(CHN)	C(CCCH)(CCH)(H)	129.6125	1.918	2	129.6125	3.680	2	128.1737	8.051	3	126.0403	13.373	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	4:3:1:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C(CCC)(CCH)(H)	C(CF3)(CCH)(CCO)	C(CCCH)(CCH)(H)	C(CCC)(CCH)(H)	C(CF3)(CCH)(CCO)	C(CCCH)(CCH)(H)	125.2960	0.000	1	125.2960	0.000	1	128.1737	8.051	3	126.0403	13.373	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	4:3:1:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-4:C-3:O-1:	C(CCN)(CCO)(H)	C(CCHH)(CCH)(NCH)	C(CCl3)(CCH)(O)	C(CCN)(CCO)(H)	C(CCHH)(CCH)(NCH)	C(CCl3)(CCH)(O)	122.0740	0.000	1	122.0740	0.000	1	124.4011	1.970	7	126.0403	13.373	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	4:3:1:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-4:C-3:O-1:	C(CCN)(CCO)(H)	C(CC[6a]HH)(CCH)(NHH)	C(CCHN)(CCH)(O)	C(CCN)(CCO)(H)	C(CC[6a]HH)(CCH)(NHH)	C(CCHN)(CCH)(O)	124.8630	0.000	1	124.8630	0.000	1	124.4011	1.970	7	126.0403	13.373	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	4:3:1:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-4:C-3:O-1:	C(CCN)(CCO)(H)	C(CH3)(CCH)(NCH)	C(CH3)(CCH)(O)	C(CCN)(CCO)(H)	C(CH3)(CCH)(NCH)	C(CH3)(CCH)(O)	124.1260	0.525	2	124.1260	0.275	2	124.4011	1.970	7	126.0403	13.373	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	4:3:1:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-4:C-3:O-1:	C(CCN)(CCO)(H)	C(CH3)(CCH)(NHN)	C(CH3)(CCH)(O)	C(CCN)(CCO)(H)	C(CH3)(CCH)(NHN)	C(CH3)(CCH)(O)	124.4315	0.465	2	124.4315	0.216	2	124.4011	1.970	7	126.0403	13.373	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	4:3:1:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-4:C-3:O-1:	C(CCN)(CCO)(H)	C(CN[5a]HH)(CCH)(NCC)	C(CF3)(CCH)(O)	C(CCN)(CCO)(H)	C(CN[5a]HH)(CCH)(NCC)	C(CF3)(CCH)(O)	126.7560	0.000	1	126.7560	0.000	1	124.4011	1.970	7	126.0403	13.373	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	4:3:1:	C-3:C-3:H-1:	C-4:N-3:C-3:	C-4:C-3:O-1:	C(CCN)(CCO)(H)	C(CC[6a]HH)(NC[6a]H)(CCH)	C(CCHH)(CCH)(O)	C(CCN)(CCO)(H)	C(CC[6a]HH)(NC[6a]H)(CCH)	C(CCHH)(CCH)(O)	124.2470	0.000	1	124.2470	0.000	1	124.2470	0.000	1	126.0403	13.373	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	4:3:1:	C-3:C-3:H-1:	P-4:C-3:C-3:	C-4:C-3:H-1:	C(CCH)(CCP)(H)	C(PC[6a]3)(COsH)(CCH)	C(CH3)(CCH)(H)	C(CCH)(CCP)(H)	C(PC[6a]3)(COsH)(CCH)	C(CH3)(CCH)(H)	129.3370	0.000	1	129.3370	0.000	1	129.3370	0.000	1	126.0403	13.373	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	4:3:1:	C-3:C-3:H-1:	S-4:C-3:C-3:	C-4:C-3:H-1:	C(CCH)(CCS)(H)	C(SC[6a]OO)(CCH)(CCO)	C(CC[6a]CH)(CCH)(H)	C(CCH)(CCS)(H)	C(SC[6a]OO)(CCH)(CCO)	C(CC[6a]CH)(CCH)(H)	131.4790	0.460	2	131.4790	0.211	2	131.4790	0.211	2	126.0403	13.373	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	4:3:1:	C-3:C-3:O-1:	P-4:C-3:C-3:	C-4:C-3:O-1:	C(CCO)(CCP)(O)	C(PC[6a]3)(CC[6a]O)(CCO)	C(CH3)(CCO)(O)	C(CCO)(CCP)(O)	C(PC[6a]3)(CC[6a]O)(CCO)	C(CH3)(CCO)(O)	118.7340	0.000	1	118.7340	0.000	1	118.7340	0.000	1	126.0403	13.373	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-4:C-3:N-2:	C(CCN)2(H)	C(CH3)(CCH)(NCH)	C(CH3)(CCH)(NC)	C(CCN)2(H)	C(CH3)(CCH)(NCH)	C(CH3)(CCH)(NC)	127.6010	0.000	1	127.6010	0.000	1	127.6010	0.000	1	125.1953	3.631	10	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(CH3)(CCH)(NCH)	C(CH3)(CCH)(OSi)	C(CCN)(CCO)(H)	C(CH3)(CCH)(NCH)	C(CH3)(CCH)(OSi)	127.0720	0.000	1	127.0720	0.000	1	125.5874	5.166	5	125.1953	3.631	10	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(CH3)(CCH)(NCH)	C(CH3)(CCH)(OSn)	C(CCN)(CCO)(H)	C(CH3)(CCH)(NCH)	C(CH3)(CCH)(OSn)	126.2255	1.064	2	126.2255	1.133	2	125.5874	5.166	5	125.1953	3.631	10	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	4:3:2:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(CH3)(CCH)(NCH)	C(CH3)(CCH)(OZn)	C(CCN)(CCO)(H)	C(CH3)(CCH)(NCH)	C(CH3)(CCH)(OZn)	124.2070	3.564	2	124.2070	12.701	2	125.5874	5.166	5	125.1953	3.631	10	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	4:3:2:	C-3:C-3:H-1:	C-4:N-3:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(CC[6a]HH)(NCoC)(CCH)	C(CC[6a]HH)(CCH)(OCo)	C(CCN)(CCO)(H)	C(CC[6a]HH)(NCoC)(CCH)	C(CC[6a]HH)(CCH)(OCo)	124.5115	0.110	2	124.5115	0.012	2	124.1037	0.230	4	125.1953	3.631	10	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	4:3:2:	C-3:C-3:H-1:	C-4:N-3:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(H)	C(CC[6a]HH)(NNiC)(CCH)	C(CC[6a]HH)(CCH)(ONi)	C(CCN)(CCO)(H)	C(CC[6a]HH)(NNiC)(CCH)	C(CC[6a]HH)(CCH)(ONi)	123.6960	0.113	2	123.6960	0.013	2	124.1037	0.230	4	125.1953	3.631	10	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	4:3:3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-4:C-3:C-3:	C(CCC)2(H)	C(CC3)(CCH)(CCN)	C(CC3)(CCH)(CCO)	C(CCC)2(H)	C(CC3)(CCH)(CCN)	C(CC3)(CCH)(CCO)	129.3650	0.000	1	129.3650	0.000	1	130.8604	4.041	9	130.6164	6.119	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	4:3:3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-4:C-3:C-3:	C(CCC)2(H)	C(CC3)(CCH)(CHH)	C(CC3)(CCH)(CHH)	C(CCC)2(H)	C(CC3)(CCH)(CHH)	C(CC3)(CCH)(CHH)	131.2120	0.000	1	131.2120	0.000	1	130.8604	4.041	9	130.6164	6.119	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	4:3:3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-4:C-3:C-3:	C(CCC)2(H)	C(CC3)(CCH)(COO)	C(CC3)(CCH)2	C(CCC)2(H)	C(CC3)(CCH)(COO)	C(CC3)(CCH)2	126.4650	0.000	1	126.4650	0.000	1	130.8604	4.041	9	130.6164	6.119	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	4:3:3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-4:C-3:C-3:	C(CCC)2(H)	C(CH3)(CCH)(CCO)	C(CH3)(CCH)2	C(CCC)2(H)	C(CH3)(CCH)(CCO)	C(CH3)(CCH)2	132.0695	0.896	2	132.0695	0.803	2	130.8604	4.041	9	130.6164	6.119	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	4:3:3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-4:C-3:C-3:	C(CCC)2(H)	C(CH3)(CCH)(COO)	C(CH3)(CCH)2	C(CCC)2(H)	C(CH3)(CCH)(COO)	C(CH3)(CCH)2	132.0800	0.000	1	132.0800	0.000	1	130.8604	4.041	9	130.6164	6.119	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	4:3:3:	C-3:C-3:H-1:	C-4:C-3:C-3:	C-4:C-3:C-3:	C(CCC)2(H)	C(CH3)(CCH)2	C(CH3)(CCH)2	C(CCC)2(H)	C(CH3)(CCH)2	C(CH3)(CCH)2	131.4943	1.454	3	131.4943	2.113	3	130.8604	4.041	9	130.6164	6.119	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	4:3:3:	C-3:C-3:H-1:	C-4:C-3:N-3:	C-4:C-3:N-3:	C(CCN)2(H)	C(CH3)(CCH)(NCH)	C(CH3)(CCH)(NCH)	C(CCN)2(H)	C(CH3)(CCH)(NCH)	C(CH3)(CCH)(NCH)	131.8497	0.786	3	131.8497	0.618	3	131.8497	0.618	3	130.6164	6.119	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	4:3:3:	C-3:C-3:H-1:	P-4:C-3:C-3:	P-4:C-3:C-3:	C(CCP)2(H)	C(PC[6a]3)(CCH)(CHO)	C(PC[6a]3)(CCH)(CHO)	C(CCP)2(H)	C(PC[6a]3)(CCH)(CHO)	C(PC[6a]3)(CCH)(CHO)	124.7200	0.000	1	124.7200	0.000	1	124.7200	0.000	1	130.6164	6.119	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:3:3:	4:4:3:	C-3:C-3:H-1:	C[5]-4:C-3:N-3:	C[5]-4:C-4:C-3:	C(CC[5]C)(CC[5]N)(H)	C(C[5]C[5]2Fe)(CCH)(NCC)	C(C[5]C[5]2Fe)(CH3)(CCH)	C(CC[5]C)(CC[5]N)(H)	C(C[5]C[5]2Fe)(CCH)(NCC)	C(C[5]C[5]2Fe)(CH3)(CCH)	126.3260	0.000	1	126.3260	0.000	1	126.3260	0.000	1	126.3260	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	2:3:1:	C-3:C-3:H-1:	C-4:C-4:C-3:	O-2:C-3:O-1:	C(CCC)(COO)(H)	C(CCHH)(CH3)(CCH)	C(OC[6])(CCH)(O)	C(CCC)(COO)(H)	C(CCHH)(CH3)(CCH)	C(OC[6])(CCH)(O)	126.4470	0.000	1	126.4470	0.000	1	126.4470	0.000	1	126.4470	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	3:1:1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:O-1:O-1:	C(CCC)(COO)(H)	C(CCHH)(CH3)(CCH)	C(CCH)(O)2	C(CCC)(COO)(H)	C(CCHH)(CH3)(CCH)	C(CCH)(O)2	126.6760	0.000	1	126.6760	0.000	1	126.6760	0.000	1	126.6760	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	3:2:1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:O-2:O-1:	C(CCC)(COO)(H)	C(CCCO)(CH3)(CCH)	C(CCH)(OC)(O)	C(CCC)(COO)(H)	C(CCCO)(CH3)(CCH)	C(CCH)(OC)(O)	126.0830	0.000	1	126.0830	0.000	1	127.1178	2.429	29	127.0269	2.427	31	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	3:2:1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:O-2:O-1:	C(CCC)(COO)(H)	C(CCHH)(CH3)(CCH)	C(CCH)(OC)(O)	C(CCC)(COO)(H)	C(CCHH)(CH3)(CCH)	C(CCH)(OC)(O)	129.6350	0.000	1	129.6350	0.000	1	127.1178	2.429	29	127.0269	2.427	31	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	3:2:1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:O-2:O-1:	C(CCC)(COO)(H)	C(CCHH)(CH3)(CCH)	C(CCH)(OH)(O)	C(CCC)(COO)(H)	C(CCHH)(CH3)(CCH)	C(CCH)(OH)(O)	127.0499	1.585	25	127.0499	2.511	25	127.1178	2.429	29	127.0269	2.427	31	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	3:2:1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:O-2:O-1:	C(CCC)(COO)(H)	C(CC[5]HH)(CH3)(CCH)	C(CCH)(OC)(O)	C(CCC)(COO)(H)	C(CC[5]HH)(CH3)(CCH)	C(CCH)(OC)(O)	127.2250	0.448	2	127.2250	0.201	2	127.1178	2.429	29	127.0269	2.427	31	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	3:2:1:	C-3:C-3:H-1:	C[6]-4:C-4:C-3:	C-3:O-2:O-1:	C(CC[6]C)(COO)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(CCH)	C(CCH)(OC)(O)	C(CC[6]C)(COO)(H)	C(C[6]C[5,6]C[6]H)(CCHH)(CCH)	C(CCH)(OC)(O)	126.4440	0.000	1	126.4440	0.000	1	125.7085	1.082	2	127.0269	2.427	31	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	3:2:1:	C-3:C-3:H-1:	C[6]-4:C-4:C-3:	C-3:O-2:O-1:	C(CC[6]C)(COO)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(CCH)	C(CCH)(OC)(O)	C(CC[6]C)(COO)(H)	C(C[6]C[6,6]C[6]H)(CCHH)(CCH)	C(CCH)(OC)(O)	124.9730	0.000	1	124.9730	0.000	1	125.7085	1.082	2	127.0269	2.427	31	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	3:2:2:	C-3:C-3:H-1:	O-4:C-4:C-3:	C-3:O-2:O-2:	C(CCO)(COO)(H)	C(OCo2Li)(CH3)(CCH)	C(CCH)(OLi)(OC)	C(CCO)(COO)(H)	C(OCo2Li)(CH3)(CCH)	C(CCH)(OLi)(OC)	126.4700	0.000	1	126.4700	0.000	1	126.5235	0.163	4	126.5235	0.163	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	3:2:2:	C-3:C-3:H-1:	O-4:C-4:C-3:	C-3:O-2:O-2:	C(CCO)(COO)(H)	C(OFe2Li)(CH3)(CCH)	C(CCH)(OLi)(OC)	C(CCO)(COO)(H)	C(OFe2Li)(CH3)(CCH)	C(CCH)(OLi)(OC)	126.0420	0.000	1	126.0420	0.000	1	126.5235	0.163	4	126.5235	0.163	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	3:2:2:	C-3:C-3:H-1:	O-4:C-4:C-3:	C-3:O-2:O-2:	C(CCO)(COO)(H)	C(OLiMg2)(CH3)(CCH)	C(CCH)(OLi)(OC)	C(CCO)(COO)(H)	C(OLiMg2)(CH3)(CCH)	C(CCH)(OLi)(OC)	127.0280	0.000	1	127.0280	0.000	1	126.5235	0.163	4	126.5235	0.163	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	3:2:2:	C-3:C-3:H-1:	O-4:C-4:C-3:	C-3:O-2:O-2:	C(CCO)(COO)(H)	C(OLiNi2)(CH3)(CCH)	C(CCH)(OLi)(OC)	C(CCO)(COO)(H)	C(OLiNi2)(CH3)(CCH)	C(CCH)(OLi)(OC)	126.5540	0.000	1	126.5540	0.000	1	126.5235	0.163	4	126.5235	0.163	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	3:3:1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CCCH)(CCHH)(CCH)	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	C(CCCH)(CCHH)(CCH)	C(CCC)(CCH)(H)	126.8430	0.000	1	126.8430	0.000	1	125.4869	3.319	10	126.1192	4.960	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	3:3:1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CCCH)(CH3)(CCH)	C(CN[5]O)(CCH)(H)	C(CCC)(CCH)(H)	C(CCCH)(CH3)(CCH)	C(CN[5]O)(CCH)(H)	122.5235	0.098	2	122.5235	0.010	2	125.4869	3.319	10	126.1192	4.960	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	3:3:1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CCCO)(CCHH)(CCH)	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	C(CCCO)(CCHH)(CCH)	C(CCC)(CCH)(H)	126.0180	1.539	2	126.0180	2.367	2	125.4869	3.319	10	126.1192	4.960	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	3:3:1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CCHH)(CH3)(CCH)	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	C(CCHH)(CH3)(CCH)	C(CCC)(CCH)(H)	126.2675	0.378	2	126.2675	0.143	2	125.4869	3.319	10	126.1192	4.960	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	3:3:1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CCHO)(CH3)(CCH)	C(CCH)2(H)	C(CCC)(CCH)(H)	C(CCHO)(CH3)(CCH)	C(CCH)2(H)	127.0680	0.000	1	127.0680	0.000	1	125.4869	3.319	10	126.1192	4.960	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	3:3:1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CCHO)(CH3)(CCH)	C(CC[6]H)(CCH)(H)	C(CCC)(CCH)(H)	C(CCHO)(CH3)(CCH)	C(CC[6]H)(CCH)(H)	124.3290	0.000	1	124.3290	0.000	1	125.4869	3.319	10	126.1192	4.960	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	3:3:1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(H)	C(CC[5]HH)(CH3)(CCH)	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	C(CC[5]HH)(CH3)(CCH)	C(CCC)(CCH)(H)	127.0110	0.000	1	127.0110	0.000	1	125.4869	3.319	10	126.1192	4.960	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-4:C-3:	C-3:C-3:H-1:	C(CC[5]C)(CCH)(H)	C(C[5]C[5,6a]C[5]O)(CH3)(CCH)	C(CC[6a]H)(CCH)(H)	C(CC[5]C)(CCH)(H)	C(C[5]C[5,6a]C[5]O)(CH3)(CCH)	C(CC[6a]H)(CCH)(H)	126.6420	0.000	1	126.6420	0.000	1	127.6185	1.907	2	126.1192	4.960	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-4:C-3:	C-3:C-3:H-1:	C(CC[5]C)(CCH)(H)	C(C[5]C[5,6a]O[5]O)(CC[6a]CH)(CCH)	C(CC[6a]H)(CCH)(H)	C(CC[5]C)(CCH)(H)	C(C[5]C[5,6a]O[5]O)(CC[6a]CH)(CCH)	C(CC[6a]H)(CCH)(H)	128.5950	0.000	1	128.5950	0.000	1	127.6185	1.907	2	126.1192	4.960	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	3:3:1:	C-3:C-3:H-1:	C[5]-4:C-4:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]O)(CC[5]C)(H)	C(C[5]C[5]2W)(CCHH)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	C(CC[6a]O)(CC[5]C)(H)	C(C[5]C[5]2W)(CCHH)(CCH)	C(C[6a]C[6a]2)(CCH)(O)	124.4310	0.000	1	124.4310	0.000	1	124.4310	0.000	1	126.1192	4.960	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	3:3:1:	C-3:C-3:H-1:	C[6]-4:C-4:C-3:	C-3:C-3:H-1:	C(CC[6]C)(CCH)(H)	C(C[6]C[6]2H)(CC[6a]HO)(CCH)	C(CC[6]H)(CCH)(H)	C(CC[6]C)(CCH)(H)	C(C[6]C[6]2H)(CC[6a]HO)(CCH)	C(CC[6]H)(CCH)(H)	131.2480	0.000	1	131.2480	0.000	1	131.2480	0.000	1	126.1192	4.960	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	3:3:1:	C-3:C-3:H-1:	S-4:C-4:C-3:	C-3:C-3:H-1:	C(CCH)(CCS)(H)	C(SC[6a]OO)(CCCH)(CCH)	C(CCH)2(H)	C(CCH)(CCS)(H)	C(SC[6a]OO)(CCCH)(CCH)	C(CCH)2(H)	126.0030	0.000	1	126.0030	0.000	1	126.0030	0.000	1	126.1192	4.960	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	3:3:2:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:C-3:O-2:	C(CCC)(CCO)(H)	C(CCHH)(CH3)(CCH)	C(CCH)(CCS)(OH)	C(CCC)(CCO)(H)	C(CCHH)(CH3)(CCH)	C(CCH)(CCS)(OH)	125.1440	0.000	1	125.1440	0.000	1	125.1440	0.000	1	124.4679	5.524	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	3:3:2:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:N-3:N-2:	C(CCC)(CNN)(H)	C(CCHH)(CH3)(CCH)	C(CCH)(NCS)(NC)	C(CCC)(CNN)(H)	C(CCHH)(CH3)(CCH)	C(CCH)(NCS)(NC)	122.3715	2.068	2	122.3715	4.278	2	122.3617	2.139	3	124.4679	5.524	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	3:3:2:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:N-3:N-2:	C(CCC)(CNN)(H)	C(CC[6a]CH)(CH3)(CCH)	C(CCH)(NCS)(NC)	C(CCC)(CNN)(H)	C(CC[6a]CH)(CH3)(CCH)	C(CCH)(NCS)(NC)	122.3420	0.000	1	122.3420	0.000	1	122.3617	2.139	3	124.4679	5.524	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	3:3:2:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-3:N-3:O-2:	C(CCC)(CNO)(H)	C(CCHH)(CH3)(CCH)	C(CCH)(NCO)(OFe)	C(CCC)(CNO)(H)	C(CCHH)(CH3)(CCH)	C(CCH)(NCO)(OFe)	126.3487	1.498	3	126.3487	2.245	3	126.3487	2.245	3	124.4679	5.524	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	3:4:3:	C-3:C-3:H-1:	N-4:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(H)	C(NC[6a]Li2)(CH3)(CCH)	C(NC[6a]Li)(CH3)(CCH)	C(CCN)2(H)	C(NC[6a]Li2)(CH3)(CCH)	C(NC[6a]Li)(CH3)(CCH)	130.3725	0.129	2	130.3725	0.017	2	130.3725	0.017	2	130.3725	0.017	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	4:3:1:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-4:C-3:O-1:	C(CCC)(CCO)(H)	C(CC[5]HH)(CH3)(CCH)	C(CH3)(CCH)(O)	C(CCC)(CCO)(H)	C(CC[5]HH)(CH3)(CCH)	C(CH3)(CCH)(O)	127.1870	0.000	1	127.1870	0.000	1	127.1870	0.000	1	127.5645	2.251	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	4:3:1:	C-3:C-3:H-1:	C[5,6]-4:C-4:C-3:	C[6]-4:C-3:O-1:	C(CC[5,6]C)(CC[6]O)(H)	C(C[5,6]C[5,6]C[5]C[6])(CH3)(CCH)	C(C[6]C[6]2O)(CCH)(O)	C(CC[5,6]C)(CC[6]O)(H)	C(C[5,6]C[5,6]C[5]C[6])(CH3)(CCH)	C(C[6]C[6]2O)(CCH)(O)	125.8375	0.646	2	125.8375	0.417	2	127.7296	3.105	5	127.5645	2.251	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	4:3:1:	C-3:C-3:H-1:	C[5,6]-4:C-4:C-3:	C[6]-4:C-3:O-1:	C(CC[5,6]C)(CC[6]O)(H)	C(C[5,6]C[5,6]C[6,6]C[5])(CH3)(CCH)	C(C[6]C[6]2C)(CCH)(O)	C(CC[5,6]C)(CC[6]O)(H)	C(C[5,6]C[5,6]C[6,6]C[5])(CH3)(CCH)	C(C[6]C[6]2C)(CCH)(O)	128.9910	0.185	3	128.9910	0.034	3	127.7296	3.105	5	127.5645	2.251	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	4:3:1:	C-3:C-3:H-1:	C[6]-4:C-4:C-3:	C-4:C-3:O-1:	C(CC[6]C)(CCO)(H)	C(C[6]C[5,6]C[6]H)(CH3)(CCH)	C(CC[5]HH)(CCH)(O)	C(CC[6]C)(CCO)(H)	C(C[6]C[5,6]C[6]H)(CH3)(CCH)	C(CC[5]HH)(CCH)(O)	128.5570	0.000	1	128.5570	0.000	1	127.3405	2.960	2	127.5645	2.251	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	4:3:1:	C-3:C-3:H-1:	C[6]-4:C-4:C-3:	C-4:C-3:O-1:	C(CC[6]C)(CCO)(H)	C(C[6]C[6]2H)(CH3)(CCH)	C(CCHH)(CCH)(O)	C(CC[6]C)(CCO)(H)	C(C[6]C[6]2H)(CH3)(CCH)	C(CCHH)(CCH)(O)	126.1240	0.000	1	126.1240	0.000	1	127.3405	2.960	2	127.5645	2.251	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	4:3:3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-4:C-3:C-3:	C(CCC)2(H)	C(CCHH)(CC3)(CCH)	C(CC3)(CCH)(CHH)	C(CCC)2(H)	C(CCHH)(CC3)(CCH)	C(CC3)(CCH)(CHH)	130.3280	0.000	1	130.3280	0.000	1	128.6810	5.425	2	128.6420	1.924	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	4:3:3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-4:C-3:C-3:	C(CCC)2(H)	C(CC[6a]CH)(CH3)(CCH)	C(CH3)(CCH)2	C(CCC)2(H)	C(CC[6a]CH)(CH3)(CCH)	C(CH3)(CCH)2	127.0340	0.000	1	127.0340	0.000	1	128.6810	5.425	2	128.6420	1.924	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	4:3:3:	C-3:C-3:H-1:	C[5]-4:C-4:C-3:	C-4:C-3:C-3:	C(CC[5]C)(CCC)(H)	C(C[5]C[5]2C)(CH3)(CCH)	C(CH3)(CCH)2	C(CC[5]C)(CCC)(H)	C(C[5]C[5]2C)(CH3)(CCH)	C(CH3)(CCH)2	128.1900	0.000	1	128.1900	0.000	1	128.1900	0.000	1	128.6420	1.924	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	4:3:3:	C-3:C-3:H-1:	P[5]-4:C-4:C-3:	C-4:C-3:C-3:	C(CP[5]C)(CCC)(H)	C(P[5]C[5]2Au)(CH3)(CCH)	C(CH3)(CCH)2	C(CP[5]C)(CCC)(H)	C(P[5]C[5]2Au)(CH3)(CCH)	C(CH3)(CCH)2	129.0160	0.000	1	129.0160	0.000	1	129.0160	0.000	1	128.6420	1.924	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	4:4:3:	4:4:3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C-4:C-4:C-3:	C(CCC)2(H)	C(CMnHH)(CC3)(CCH)	C(CMnHH)(CC3)(CCH)	C(CCC)2(H)	C(CMnHH)(CC3)(CCH)	C(CMnHH)(CC3)(CCH)	127.2850	0.000	1	127.2850	0.000	1	127.2850	0.000	1	127.2850	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	6:3:1:	3:2:1:	C-3:C-3:H-1:	B[5x3,5x5,20x6]-6:C-3:H-1:	C-3:O-2:O-1:	C(CB[5x3,5x5,20x6]H)(COO)(H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(H)	C(CCH)(OC)(O)	C(CB[5x3,5x5,20x6]H)(COO)(H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(H)	C(CCH)(OC)(O)	126.4300	1.429	6	126.4300	2.043	6	126.1889	2.109	7	126.1889	2.109	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	6:3:1:	3:2:1:	C-3:C-3:H-1:	B[5x3,5x5,20x6]-6:C-3:H-1:	C-3:O-2:O-1:	C(CB[5x3,5x5,20x6]H)(COO)(H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(CCH)(H)	C(CCH)(OC)(O)	C(CB[5x3,5x5,20x6]H)(COO)(H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,6x5,20x6])(CCH)(H)	C(CCH)(OC)(O)	124.7420	0.000	1	124.7420	0.000	1	126.1889	2.109	7	126.1889	2.109	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	6:3:1:	3:3:1:	C-3:C-3:H-1:	B[5x3,5x5,20x6]-6:C-3:H-1:	C[6a]-3:C-3:O-1:	C(CB[5x3,5x5,20x6]H)(CC[6a]O)(H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CB[5x3,5x5,20x6]H)(CC[6a]O)(H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(O)	124.5297	2.706	7	124.5297	7.322	7	124.5297	7.322	7	125.5091	13.950	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	6:3:1:	3:3:1:	C-3:C-3:H-1:	C[5x3,5x5,20x6]-6:C-3:H-1:	C-3:C-3:H-1:	C(CC[5x3,5x5,20x6]H)(CCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(H)	C(CCH)(CCO)(H)	C(CC[5x3,5x5,20x6]H)(CCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(H)	C(CCH)(CCO)(H)	132.3650	0.000	1	132.3650	0.000	1	132.3650	0.000	1	125.5091	13.950	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	6:3:1:	3:3:2:	C-3:C-3:H-1:	C[5x3,5x5,20x6]-6:C-3:H-1:	C-3:C-3:O-2:	C(CC[5x3,5x5,20x6]H)(CCO)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(H)	C(CCH)2(OC)	C(CC[5x3,5x5,20x6]H)(CCO)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(H)	C(CCH)2(OC)	131.0415	1.025	2	131.0415	1.050	2	131.0415	1.050	2	131.0415	1.050	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	6:3:1:	4:3:3:	C-3:C-3:H-1:	C[5x3,5x5,20x6]-6:C-3:H-1:	C-4:C-3:C-3:	C(CC[5x3,5x5,20x6]H)(CCC)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(H)	C(CH3)(CCH)2	C(CC[5x3,5x5,20x6]H)(CCC)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(H)	C(CH3)(CCH)2	131.0190	0.000	1	131.0190	0.000	1	131.0190	0.000	1	131.0190	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	6:3:2:	3:3:1:	C-3:C-3:H-1:	C[5x3,5x5,20x6]-6:C-3:O-2:	C-3:C-3:H-1:	C(CC[5x3,5x5,20x6]O)(CCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(OC)	C(CCC)(CCH)(H)	C(CC[5x3,5x5,20x6]O)(CCH)(H)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCH)(OC)	C(CCC)(CCH)(H)	131.6030	0.000	1	131.6030	0.000	1	131.6030	0.000	1	131.6030	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:1:	6:3:3:	3:2:1:	C-3:C-3:H-1:	B[5x3,5x5,20x6]-6:C-3:C-3:	C-3:O-2:O-1:	C(CB[5x3,5x5,20x6]C)(COO)(H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(COO)	C(CCH)(OC)(O)	C(CB[5x3,5x5,20x6]C)(COO)(H)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(COO)	C(CCH)(OC)(O)	127.3610	0.000	1	127.3610	0.000	1	127.3610	0.000	1	127.3610	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	2:3:1:	2:3:1:	C-3:C-3:C-2:	C-2:C-3:Br-1:	N-2:C-3:O-1:	C(CBrC)(CNO)(CC)	C(CN[6])(CCC)(Br)	C(NC[6])(CCC)(O)	C(CBrC)(CNO)(CC)	C(CN[6])(CCC)(Br)	C(NC[6])(CCC)(O)	113.9550	0.000	1	113.9550	0.000	1	113.9550	0.000	1	113.9550	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	2:3:1:	3:2:1:	C-3:C-3:C-2:	O-2:C-3:H-1:	C-3:O-2:O-1:	C(CHO)(COO)(CC)	C(OC[6a])(CCC)(H)	C(CCC)(OC)(O)	C(CHO)(COO)(CC)	C(OC[6a])(CCC)(H)	C(CCC)(OC)(O)	116.8080	0.000	1	116.8080	0.000	1	116.8080	0.000	1	116.8080	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	2:3:1:	3:2:2:	C-3:C-3:C-2:	N-2:C-3:S-1:	C-3:N-2:O-2:	C(CNO)(CNS)(CN)	C(NC[6a])(CCC)(S)	C(CCC)(NC)(OH)	C(CNO)(CNS)(CN)	C(NC[6a])(CCC)(S)	C(CCC)(NC)(OH)	125.0790	0.000	1	125.0790	0.000	1	125.0790	0.000	1	125.0790	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	2:3:1:	3:3:2:	C-3:C-3:C-2:	N-2:C-3:O-1:	C-3:N-3:O-2:	C(CNO)2(CN)	C(NC[6a])(CCC)(O)	C(CCC)(NCC)(OH)	C(CNO)2(CN)	C(NC[6a])(CCC)(O)	C(CCC)(NCC)(OH)	118.3240	0.000	2	118.3240	0.000	2	118.7313	0.498	3	120.2630	9.716	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	2:3:1:	3:3:2:	C-3:C-3:C-2:	N-2:C-3:O-1:	C-3:N-3:O-2:	C(CNO)2(CN)	C(NC[6a])(CCC)(O)	C(CCC)(NCH)(OH)	C(CNO)2(CN)	C(NC[6a])(CCC)(O)	C(CCC)(NCH)(OH)	119.5460	0.000	1	119.5460	0.000	1	118.7313	0.498	3	120.2630	9.716	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	2:3:1:	3:3:2:	C-3:C-3:C-2:	N-2:C-3:S-1:	C-3:N-3:O-2:	C(CNO)(CNS)(CN)	C(NC[6a])(CCC)(S)	C(CCC)(NCH)(OH)	C(CNO)(CNS)(CN)	C(NC[6a])(CCC)(S)	C(CCC)(NCH)(OH)	124.8580	0.000	1	124.8580	0.000	1	124.8580	0.000	1	120.2630	9.716	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	2:3:1:	4:3:1:	C-3:C-3:S-2:	O-2:C-3:O-1:	C-4:C-3:H-1:	C(CCH)(COO)(SC)	C(OC[6])(CCS)(O)	C(CCHH)(CCS)(H)	C(CCH)(COO)(SC)	C(OC[6])(CCS)(O)	C(CCHH)(CCS)(H)	117.4760	0.000	1	117.4760	0.000	1	117.4760	0.000	1	117.4760	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	2:3:1:	4:3:2:	C-3:C-3:C-2:	N-2:C-3:O-1:	C-4:C-3:O-2:	C(CCO)(CNO)(CN)	C(NC[6a])(CCC)(O)	C(CH3)(CCC)(OH)	C(CCO)(CNO)(CN)	C(NC[6a])(CCC)(O)	C(CH3)(CCC)(OH)	120.4070	0.000	1	120.4070	0.000	1	120.4070	0.000	1	120.4070	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	2:3:3:	3:2:1:	C-3:C-3:C-2:	S-2:C-3:C-3:	C-3:O-2:O-1:	C(CCS)(COO)(CN)	C(SC[6a])(CCC)(COO)	C(CCC)(OC)(O)	C(CCS)(COO)(CN)	C(SC[6a])(CCC)(COO)	C(CCC)(OC)(O)	122.6120	0.000	1	122.6120	0.000	1	122.6120	0.000	1	122.6120	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	2:4:3:	2:4:3:	C-3:C-3:N-2:	N-2:C-4:C-3:	N-2:C-4:C-3:	C(CCN)2(NO)	C(NC[6a])(CH3)(CCN)	C(NC[6a])(CH3)(CCN)	C(CCN)2(NO)	C(NC[6a])(CH3)(CCN)	C(NC[6a])(CH3)(CCN)	118.3440	0.000	1	118.3440	0.000	1	118.3440	0.000	1	118.3440	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	2:4:3:	4:3:3:	C-3:C-3:S-2:	N-2:C-4:C-3:	C-4:C-3:N-3:	C(CCN)2(SS)	C(NC[6a])(CH3)(CCS)	C(CH3)(CCS)(NCH)	C(CCN)2(SS)	C(NC[6a])(CH3)(CCS)	C(CH3)(CCS)(NCH)	123.6965	0.237	2	123.6965	0.056	2	123.6965	0.056	2	123.6965	0.056	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:1:1:	3:1:1:	C-3:C-3:O-2:	C-3:H-1:H-1:	C-3:O-1:O-1:	C(CHH)(COO)(OP)	C(CCO)(H)2	C(CCO)(O)2	C(CHH)(COO)(OP)	C(CCO)(H)2	C(CCO)(O)2	122.5580	0.000	1	122.5580	0.000	1	122.5580	0.000	1	122.5580	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:1:1:	3:3:1:	C-3:C-3:O-2:	C-3:H-1:H-1:	C-3:C-3:H-1:	C(CCH)(CHH)(ORu)	C(CCO)(H)2	C(CCO)2(H)	C(CCH)(CHH)(ORu)	C(CCO)(H)2	C(CCO)2(H)	119.5793	1.584	4	119.5793	2.510	4	119.5793	2.510	4	119.5793	2.510	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:2:1:	3:1:1:	C-3:C-3:C-2:	C-3:O-2:O-1:	C-3:O-1:O-1:	C(COO)2(CN)	C(CCC)(OH)(O)	C(CCC)(O)2	C(COO)2(CN)	C(CCC)(OH)(O)	C(CCC)(O)2	122.1580	0.000	1	122.1580	0.000	1	122.1580	0.000	1	122.5320	0.280	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:2:1:	3:1:1:	C-3:C-3:O-2:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(CHH)(COO)(OP)	C(CCO)(OH)(O)	C(CCO)(H)2	C(CHH)(COO)(OP)	C(CCO)(OH)(O)	C(CCO)(H)2	122.9060	0.000	1	122.9060	0.000	1	122.9060	0.000	1	122.5320	0.280	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:2:1:	3:2:1:	C-3:C-3:C-2:	C-3:O-2:O-1:	C-3:O-2:O-1:	C(COO)2(CC)	C(CCC)(OC)(O)	C(CCC)(OC)(O)	C(COO)2(CC)	C(CCC)(OC)(O)	C(CCC)(OC)(O)	119.6090	0.049	2	119.6090	0.002	2	119.6090	0.002	2	121.1854	4.819	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:2:1:	3:2:1:	C-3:C-3:S-2:	C-3:S-2:H-1:	C-3:O-2:O-1:	C(CHS)(COO)(SCo)	C(CCS)(SCo)(H)	C(CCS)(OC)(O)	C(CHS)(COO)(SCo)	C(CCS)(SCo)(H)	C(CCS)(OC)(O)	123.0030	0.000	1	123.0030	0.000	1	122.2363	5.494	3	121.1854	4.819	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:2:1:	3:2:1:	C-3:C-3:S-2:	C-3:S-2:H-1:	C-3:O-2:O-1:	C(CHS)(COO)(SIr)	C(CCS)(SIr)(H)	C(CCS)(OC)(O)	C(CHS)(COO)(SIr)	C(CCS)(SIr)(H)	C(CCS)(OC)(O)	121.8530	3.179	2	121.8530	10.107	2	122.2363	5.494	3	121.1854	4.819	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:2:1:	3:2:2:	C-3:C-3:C-2:	C-3:C-2:H-1:	C-3:C-2:C-2:	C(CCC)(CCH)(CN)	C(CCC)(CRu)(H)	C(CCC)(CN)2	C(CCC)(CCH)(CN)	C(CCC)(CRu)(H)	C(CCC)(CN)2	123.9490	0.000	1	123.9490	0.000	1	123.9490	0.000	1	123.9490	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:2:1:	3:3:1:	C-3:C-3:O-2:	C-3:O-2:O-1:	C-3:C-3:H-1:	C(CCH)(COO)(OH)	C(CCO)(OC)(O)	C(CCO)2(H)	C(CCH)(COO)(OH)	C(CCO)(OC)(O)	C(CCO)2(H)	121.0140	1.609	2	121.0140	2.590	2	121.0140	2.590	2	121.0140	2.590	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:2:2:	3:2:2:	C-3:C-3:C-2:	C-3:C-2:C-2:	C-3:C-2:C-2:	C(CCC)2(CN)	C(CCC)(CN)2	C(CCC)(CN)2	C(CCC)2(CN)	C(CCC)(CN)2	C(CCC)(CN)2	129.7790	0.093	3	129.7790	0.009	3	129.7790	0.009	3	126.6741	5.284	23	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:2:2:	3:2:2:	C-3:C-3:O-2:	C-3:C-2:C-2:	C-3:C-2:C-2:	C(CCC)2(OC)	C(CCO)(CN)2	C(CCO)(CN)2	C(CCC)2(OC)	C(CCO)(CN)2	C(CCO)(CN)2	126.8793	1.845	15	126.8793	3.405	15	126.8793	3.405	15	126.6741	5.284	23	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:2:2:	3:2:2:	C-3:C-3:S-2:	C-3:C-2:C-2:	C-3:C-2:C-2:	C(CCC)2(SC)	C(CCS)(CN)2	C(CCS)(CN)2	C(CCC)2(SC)	C(CCS)(CN)2	C(CCS)(CN)2	124.1954	1.440	5	124.1954	2.073	5	124.1954	2.073	5	126.6741	5.284	23	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:2:2:	3:3:1:	C-3:C-3:C-2:	C-3:O-2:O-2:	N-3:C-3:H-1:	C(CHN)(COO)(CN)	C(CCC)(OCu)(OC)	C(NCuC)(CCC)(H)	C(CHN)(COO)(CN)	C(CCC)(OCu)(OC)	C(NCuC)(CCC)(H)	123.9645	2.835	2	123.9645	8.036	2	123.9645	8.036	2	123.9645	8.036	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:2:2:	3:3:2:	C-3:C-3:C-2:	C-3:C-2:C-2:	C-3:C-3:C-2:	C(CCC)2(CC)	C(CCC)(CN)2	C(CCC)2(CC)	C(CCC)2(CC)	C(CCC)(CN)2	C(CCC)2(CC)	117.3420	1.099	2	117.3420	1.207	2	117.3420	1.207	2	117.3420	1.207	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:2:3:	3:3:1:	C-3:C-3:O-2:	C-3:N-2:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CCN)(OC)	C(CC[6a]O)(NC[6a])(CCO)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(CCN)(OC)	C(CC[6a]O)(NC[6a])(CCO)	C(C[6a]C[6a]2)(CCO)(H)	121.4580	0.000	1	121.4580	0.000	1	121.4580	0.000	1	121.4580	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	2:3:1:	C-3:C-3:C-2:	C[5a]-3:C-3:H-1:	N-2:C-3:H-1:	C(CC[5a]H)(CHN)(CN)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(NC[6a])(CCC)(H)	C(CC[5a]H)(CHN)(CN)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(NC[6a])(CCC)(H)	122.7620	0.000	1	122.7620	0.000	1	122.1890	0.657	2	122.5026	0.799	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	2:3:1:	C-3:C-3:C-2:	C[5a]-3:C-3:H-1:	N-2:C-3:H-1:	C(CC[5a]H)(CHN)(CN)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(NC[6a])(CCC)(H)	C(CC[5a]H)(CHN)(CN)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(NC[6a])(CCC)(H)	121.6160	0.000	1	121.6160	0.000	1	122.1890	0.657	2	122.5026	0.799	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	2:3:1:	C-3:C-3:C-2:	N-3:C-3:H-1:	N-2:C-3:H-1:	C(CHN)2(CN)	C(NC[6a]H)(CCC)(H)	C(NC[6a])(CCC)(H)	C(CHN)2(CN)	C(NC[6a]H)(CCC)(H)	C(NC[6a])(CCC)(H)	123.3005	0.360	2	123.3005	0.130	2	123.3005	0.130	2	122.5026	0.799	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	2:3:1:	C-3:C-3:O-2:	C[6a]-3:C-3:H-1:	N-2:C-3:H-1:	C(CC[6a]H)(CHN)(OC)	C(C[6a]C[6a]2)(CCO)(H)	C(NC[5a])(CCO)(H)	C(CC[6a]H)(CHN)(OC)	C(C[6a]C[6a]2)(CCO)(H)	C(NC[5a])(CCO)(H)	121.5340	0.000	1	121.5340	0.000	1	121.5340	0.000	1	122.5026	0.799	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	2:4:3:	C-3:C-3:N-2:	C[6a]-3:C-3:O-1:	N-2:C-4:C-3:	C(CC[6a]O)(CCN)(NN)	C(C[6a]C[6a]2)(CCN)(O)	C(NC[6a])(CH3)(CCN)	C(CC[6a]O)(CCN)(NN)	C(C[6a]C[6a]2)(CCN)(O)	C(NC[6a])(CH3)(CCN)	120.6490	0.000	1	120.6490	0.000	1	120.6490	0.000	1	120.6490	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:1:1:	C-3:C-3:C-2:	C[5a]-3:C-3:H-1:	C-3:O-1:O-1:	C(CC[5a]H)(COO)(CN)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CCC)(O)2	C(CC[5a]H)(COO)(CN)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CCC)(O)2	121.2430	0.000	1	121.2430	0.000	1	121.2430	0.000	1	121.1316	3.806	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:1:1:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:H-1:O-1:	C(CC[6a]H)(CHO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(H)(O)	C(CC[6a]H)(CHO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(H)(O)	119.3920	0.000	1	119.3920	0.000	1	119.3920	0.000	1	121.1316	3.806	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:1:1:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:O-1:O-1:	C(CC[6a]H)(COO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(O)2	C(CC[6a]H)(COO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(O)2	121.2464	0.901	5	121.2464	0.811	5	121.2464	0.811	5	121.1316	3.806	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:1:1:	C-3:C-3:N-2:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CCH)(CHH)(NC)	C(CCN)(CHN)(H)	C(CCN)(H)2	C(CCH)(CHH)(NC)	C(CCN)(CHN)(H)	C(CCN)(H)2	122.2300	0.000	1	122.2300	0.000	1	122.2300	0.000	1	121.1316	3.806	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:1:1:	C-3:C-3:N-2:	C[6a]-3:C-3:O-1:	C-3:H-1:O-1:	C(CC[6a]O)(CHO)(NN)	C(C[6a]C[6a]2)(CCN)(O)	C(CCN)(H)(O)	C(CC[6a]O)(CHO)(NN)	C(C[6a]C[6a]2)(CCN)(O)	C(CCN)(H)(O)	118.2725	0.521	2	118.2725	0.272	2	118.2725	0.272	2	121.1316	3.806	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:1:1:	C-3:C-3:O-2:	C-3:C-3:Cl-1:	C-3:H-1:H-1:	C(CClC)(CHH)(ONi)	C(CCO)2(Cl)	C(CCO)(H)2	C(CClC)(CHH)(ONi)	C(CCO)2(Cl)	C(CCO)(H)2	120.7790	0.000	1	120.7790	0.000	1	120.7790	0.000	1	121.1316	3.806	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:1:1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C-3:Br-1:H-1:	C(CBrH)(CCH)(OC)	C(CCH)(CCO)(H)	C(CCO)(Br)(H)	C(CBrH)(CCH)(OC)	C(CCH)(CCO)(H)	C(CCO)(Br)(H)	124.5470	0.000	1	124.5470	0.000	1	124.5470	0.000	1	121.1316	3.806	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:1:1:	C-3:C-3:O-2:	C[5a]-3:C-3:O-1:	C-3:H-1:H-1:	C(CC[5a]O)(CHH)(OC)	C(C[5a]C[5a]O[5a])(CCO)(O)	C(CCO)(H)2	C(CC[5a]O)(CHH)(OC)	C(C[5a]C[5a]O[5a])(CCO)(O)	C(CCO)(H)2	120.1890	0.000	1	120.1890	0.000	1	120.1890	0.000	1	121.1316	3.806	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:1:1:	C-3:C-3:S-2:	C[5a]-3:C-3:O-1:	C-3:H-1:H-1:	C(CC[5a]O)(CHH)(SC)	C(C[5a]C[5a,6a]C[5a])(CCS)(O)	C(CCS)(H)2	C(CC[5a]O)(CHH)(SC)	C(C[5a]C[5a,6a]C[5a])(CCS)(O)	C(CCS)(H)2	124.6850	0.000	1	124.6850	0.000	1	124.6850	0.000	1	121.1316	3.806	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:C-2:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(COs)	C(COsC)(CCC)(H)	C(CCC)(OC)(O)	C(CCH)(COO)(COs)	C(COsC)(CCC)(H)	C(CCC)(OC)(O)	128.6050	0.000	1	128.6050	0.000	1	128.6050	0.000	1	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:C-2:	C-3:C-3:H-1:	C-3:S-2:H-1:	C(CCH)(CHS)(CN)	C(CPtH)(CCC)(H)	C(CCC)(SPt)(H)	C(CCH)(CHS)(CN)	C(CPtH)(CCC)(H)	C(CCC)(SPt)(H)	127.5390	0.000	1	127.5390	0.000	1	127.5390	0.000	1	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:C-2:	C-3:N-3:H-1:	C-3:O-2:O-1:	C(CHN)(COO)(CN)	C(CCC)(NCC)(H)	C(CCC)(OC)(O)	C(CHN)(COO)(CN)	C(CCC)(NCC)(H)	C(CCC)(OC)(O)	117.0020	0.000	1	117.0020	0.000	1	119.9868	6.874	4	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:C-2:	C-3:N-3:H-1:	C-3:O-2:O-1:	C(CHN)(COO)(CN)	C(CCC)(NCH)(H)	C(CCC)(OC)(O)	C(CHN)(COO)(CN)	C(CCC)(NCH)(H)	C(CCC)(OC)(O)	120.6880	2.868	2	120.6880	8.226	2	119.9868	6.874	4	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:C-2:	C-3:N-3:H-1:	C-3:O-2:O-1:	C(CHN)(COO)(CN)	C(CCC)(NHH)(H)	C(CCC)(OC)(O)	C(CHN)(COO)(CN)	C(CCC)(NHH)(H)	C(CCC)(OC)(O)	121.5690	0.000	1	121.5690	0.000	1	119.9868	6.874	4	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:C-2:	C-3:N-3:O-1:	C-3:C-2:H-1:	C(CCH)(CNO)(CC)	C(CCC)(NHS)(O)	C(CCC)(CC)(H)	C(CCH)(CNO)(CC)	C(CCC)(NHS)(O)	C(CCC)(CC)(H)	117.3980	0.000	1	117.3980	0.000	1	118.3475	1.803	2	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:C-2:	C-3:N-3:O-1:	C-3:C-2:H-1:	C(CCH)(CNO)(CN)	C(CCC)(NCH)(O)	C(CCC)(CC)(H)	C(CCH)(CNO)(CN)	C(CCC)(NCH)(O)	C(CCC)(CC)(H)	119.2970	0.000	1	119.2970	0.000	1	118.3475	1.803	2	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:C-2:	C[5]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5]H)(COO)(CN)	C(C[5]C[5]2)(CCC)(H)	C(CCC)(OC)(O)	C(CC[5]H)(COO)(CN)	C(C[5]C[5]2)(CCC)(H)	C(CCC)(OC)(O)	118.3580	0.000	1	118.3580	0.000	1	118.3580	0.000	1	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:C-2:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(COO)(CN)	C(C[5a]C[5a,6a]C[5a])(CCC)(H)	C(CCC)(OC)(O)	C(CC[5a]H)(COO)(CN)	C(C[5a]C[5a,6a]C[5a])(CCC)(H)	C(CCC)(OC)(O)	119.1040	0.000	1	119.1040	0.000	1	119.0830	4.463	13	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:C-2:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(COO)(CN)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CCC)(OC)(O)	C(CC[5a]H)(COO)(CN)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CCC)(OC)(O)	120.3270	1.933	2	120.3270	3.737	2	119.0830	4.463	13	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:C-2:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(COO)(CN)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CCC)(OC)(O)	C(CC[5a]H)(COO)(CN)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CCC)(OC)(O)	118.2452	0.334	4	118.2452	0.111	4	119.0830	4.463	13	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:C-2:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(COO)(CN)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CCC)(OC)(O)	C(CC[5a]H)(COO)(CN)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CCC)(OC)(O)	117.6170	0.479	3	117.6170	0.229	3	119.0830	4.463	13	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:C-2:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(COO)(CN)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CCC)(OH)(O)	C(CC[5a]H)(COO)(CN)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CCC)(OH)(O)	122.7720	2.210	2	122.7720	4.886	2	119.0830	4.463	13	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:C-2:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(COO)(CN)	C(C[5a]N[5a]2)(CCC)(H)	C(CCC)(OC)(O)	C(CC[5a]H)(COO)(CN)	C(C[5a]N[5a]2)(CCC)(H)	C(CCC)(OC)(O)	116.9450	0.000	1	116.9450	0.000	1	119.0830	4.463	13	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:C-2:	C[6]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6]H)(COO)(CN)	C(C[6]C[6]2)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6]H)(COO)(CN)	C(C[6]C[6]2)(CCC)(H)	C(CCC)(OC)(O)	117.8120	0.000	1	117.8120	0.000	1	117.8120	0.000	1	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(COO)(CC)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6a]H)(COO)(CC)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	117.6055	0.510	2	117.6055	0.260	2	119.4626	3.478	46	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(COO)(CN)	C(C[6a]C[6a,6a]C[6,6a])(CCC)(H)	C(CCC)(OH)(O)	C(CC[6a]H)(COO)(CN)	C(C[6a]C[6a,6a]C[6,6a])(CCC)(H)	C(CCC)(OH)(O)	120.7260	0.000	1	120.7260	0.000	1	119.4626	3.478	46	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(COO)(CN)	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(CCC)(OC)(O)	C(CC[6a]H)(COO)(CN)	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(CCC)(OC)(O)	121.0019	3.218	7	121.0019	10.355	7	119.4626	3.478	46	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(COO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6a]H)(COO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	119.0577	1.418	29	119.0577	2.010	29	119.4626	3.478	46	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(COO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OH)(O)	C(CC[6a]H)(COO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OH)(O)	119.9509	1.027	7	119.9509	1.054	7	119.4626	3.478	46	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:C-2:	N-3:C-3:H-1:	C-3:O-2:O-1:	C(CHN)(COO)(CN)	C(NC[6a]H)(CCC)(H)	C(CCC)(OC)(O)	C(CHN)(COO)(CN)	C(NC[6a]H)(CCC)(H)	C(CCC)(OC)(O)	121.1100	0.875	9	121.1100	0.766	9	121.1100	0.766	9	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:C-2:	N-3:C-3:O-1:	C-3:C-2:H-1:	C(CCH)(CNO)(CN)	C(NC[6a]H)(CCC)(O)	C(CCC)(CC)(H)	C(CCH)(CNO)(CN)	C(NC[6a]H)(CCC)(O)	C(CCC)(CC)(H)	117.9930	0.000	1	117.9930	0.000	1	117.9930	0.000	1	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:N-2:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(NS)	C(CC[6a]H)(CCN)(H)	C(CCN)(OC)(O)	C(CCH)(COO)(NS)	C(CC[6a]H)(CCN)(H)	C(CCN)(OC)(O)	117.8580	0.000	1	117.8580	0.000	1	117.8580	0.000	1	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:N-2:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(COO)(NC)	C(C[5a]C[5a]N[5a])(CCN)(H)	C(CCN)(OC)(O)	C(CC[5a]H)(COO)(NC)	C(C[5a]C[5a]N[5a])(CCN)(H)	C(CCN)(OC)(O)	114.6585	0.317	2	114.6585	0.101	2	114.6585	0.101	2	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:N-2:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(COO)(NP)	C(C[6a]C[6a]2)(CCN)(H)	C(CCN)(OC)(O)	C(CC[6a]H)(COO)(NP)	C(C[6a]C[6a]2)(CCN)(H)	C(CCN)(OC)(O)	118.4600	0.733	6	118.4600	0.538	6	118.4600	0.538	6	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:N-2:	C[6a]-3:C-3:O-1:	C-3:O-2:O-1:	C(CC[6a]O)(COO)(NN)	C(C[6a]C[6a]2)(CCN)(O)	C(CCN)(OC)(O)	C(CC[6a]O)(COO)(NN)	C(C[6a]C[6a]2)(CCN)(O)	C(CCN)(OC)(O)	130.7380	0.000	1	130.7380	0.000	1	126.7295	32.136	2	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:N-2:	C[6a]-3:C-3:O-1:	C-3:O-2:O-1:	C(CC[6a]O)(COO)(NO)	C(C[6a]C[6a]2)(CCN)(O)	C(CCN)(OC)(O)	C(CC[6a]O)(COO)(NO)	C(C[6a]C[6a]2)(CCN)(O)	C(CCN)(OC)(O)	122.7210	0.000	1	122.7210	0.000	1	126.7295	32.136	2	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:N-2:	N-3:C-3:H-1:	C-3:O-2:O-1:	C(CHN)(COO)(NC)	C(NC[6]H)(CCN)(H)	C(CCN)(OC)(O)	C(CHN)(COO)(NC)	C(NC[6]H)(CCN)(H)	C(CCN)(OC)(O)	120.8690	0.000	1	120.8690	0.000	1	120.8690	0.000	1	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:N-2:	N-3:C-3:O-1:	C-3:O-2:O-1:	C(CNO)(COO)(NN)	C(NC[5a]H)(CCN)(O)	C(CCN)(OC)(O)	C(CNO)(COO)(NN)	C(NC[5a]H)(CCN)(O)	C(CCN)(OC)(O)	121.5620	0.000	1	121.5620	0.000	1	121.5620	0.000	1	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(OC)	C(CCO)(COO)(H)	C(CCO)(OC)(O)	C(CCH)(COO)(OC)	C(CCO)(COO)(H)	C(CCO)(OC)(O)	121.5810	7.210	2	121.5810	51.979	2	121.3918	18.447	4	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(OH)	C(CC[5a]O)(CCO)(H)	C(CCO)(OC)(O)	C(CCH)(COO)(OH)	C(CC[5a]O)(CCO)(H)	C(CCO)(OC)(O)	122.4710	0.000	1	122.4710	0.000	1	121.3918	18.447	4	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(OH)	C(CC[6a]O)(CCO)(H)	C(CCO)(OC)(O)	C(CCH)(COO)(OH)	C(CC[6a]O)(CCO)(H)	C(CCO)(OC)(O)	119.9340	0.000	1	119.9340	0.000	1	121.3918	18.447	4	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C-3:S-2:H-1:	C(CCH)(CHS)(OC)	C(CPtH)(CCO)(H)	C(CCO)(SPt)(H)	C(CCH)(CHS)(OC)	C(CPtH)(CCO)(H)	C(CCO)(SPt)(H)	127.6870	0.000	1	127.6870	0.000	1	127.6870	0.000	1	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:O-2:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(COO)(OH)	C(C[5a]C[5a,6a]C[5a])(CCO)(H)	C(CCO)(OH)(O)	C(CC[5a]H)(COO)(OH)	C(C[5a]C[5a,6a]C[5a])(CCO)(H)	C(CCO)(OH)(O)	124.6370	0.891	2	124.6370	0.794	2	124.4017	0.563	3	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:O-2:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(COO)(OS)	C(C[5a]C[5a,6a]C[5a])(CCO)(H)	C(CCO)(OC)(O)	C(CC[5a]H)(COO)(OS)	C(C[5a]C[5a,6a]C[5a])(CCO)(H)	C(CCO)(OC)(O)	123.9310	0.000	1	123.9310	0.000	1	124.4017	0.563	3	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:O-2:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(COO)(OC)	C(C[6a]C[6a]2)(CCO)(H)	C(CCO)(OC)(O)	C(CC[6a]H)(COO)(OC)	C(C[6a]C[6a]2)(CCO)(H)	C(CCO)(OC)(O)	131.8693	0.359	3	131.8693	0.129	3	126.2611	22.387	8	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:O-2:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(COO)(OH)	C(C[6a]C[6a]2)(CCO)(H)	C(CCO)(OH)(O)	C(CC[6a]H)(COO)(OH)	C(C[6a]C[6a]2)(CCO)(H)	C(CCO)(OH)(O)	122.8962	1.171	5	122.8962	1.371	5	126.2611	22.387	8	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:O-2:	N[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CN[5a]H)(COO)(OC)	C(N[5a]C[5a]2)(CCO)(H)	C(CCO)(OC)(O)	C(CN[5a]H)(COO)(OC)	C(N[5a]C[5a]2)(CCO)(H)	C(CCO)(OC)(O)	120.5560	0.000	1	120.5560	0.000	1	120.5560	0.000	1	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:S-2:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(SC)	C(CCS)(COO)(H)	C(CCS)(OC)(O)	C(CCH)(COO)(SC)	C(CCS)(COO)(H)	C(CCS)(OC)(O)	117.3490	0.368	2	117.3490	0.135	2	117.3490	0.135	2	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:S-2:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(COO)(SAg)	C(C[5a]C[5a]O[5a])(CCS)(H)	C(CCS)(OH)(O)	C(CC[5a]H)(COO)(SAg)	C(C[5a]C[5a]O[5a])(CCS)(H)	C(CCS)(OH)(O)	117.1960	0.000	1	117.1960	0.000	1	117.0406	0.114	5	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:S-2:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(COO)(SZn)	C(C[5a]C[5a]O[5a])(CCS)(H)	C(CCS)(OZn)(O)	C(CC[5a]H)(COO)(SZn)	C(C[5a]C[5a]O[5a])(CCS)(H)	C(CCS)(OZn)(O)	116.9575	0.203	2	116.9575	0.041	2	117.0406	0.114	5	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:S-2:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(COO)(SZn)	C(C[5a]C[5a]S[5a])(CCS)(H)	C(CCS)(OZn)(O)	C(CC[5a]H)(COO)(SZn)	C(C[5a]C[5a]S[5a])(CCS)(H)	C(CCS)(OZn)(O)	117.0460	0.615	2	117.0460	0.378	2	117.0406	0.114	5	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:1:	C-3:C-3:S-2:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(COO)(SZn)	C(C[6a]C[6a]2)(CCS)(H)	C(CCS)(OZn)(O)	C(CC[6a]H)(COO)(SZn)	C(C[6a]C[6a]2)(CCS)(H)	C(CCS)(OZn)(O)	117.6800	0.000	1	117.6800	0.000	1	117.6800	0.000	1	120.2462	11.510	117	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:2:	C-3:C-3:C-2:	N-3:C-3:H-1:	C-3:O-2:O-2:	C(CHN)(COO)(CN)	C(NC[6a]Fe)(CCC)(H)	C(CCC)(OFe)(OC)	C(CHN)(COO)(CN)	C(NC[6a]Fe)(CCC)(H)	C(CCC)(OFe)(OC)	124.9545	0.073	2	124.9545	0.005	2	124.9545	0.005	2	122.7280	9.106	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:2:	C-3:C-3:C-2:	N-3:C-3:O-1:	C-3:N-2:O-2:	C(CNO)2(CN)	C(NC[6a]H)(CCC)(O)	C(CCC)(NC)(OH)	C(CNO)2(CN)	C(NC[6a]H)(CCC)(O)	C(CCC)(NC)(OH)	118.5670	0.000	1	118.5670	0.000	1	118.5670	0.000	1	122.7280	9.106	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:2:2:	C-3:C-3:O-2:	C[6a]-3:C-3:O-1:	C-3:S-2:S-2:	C(CC[6a]O)(CSS)(OC)	C(C[6a]C[6a]2)(CCO)(O)	C(CCO)(SC)2	C(CC[6a]O)(CSS)(OC)	C(C[6a]C[6a]2)(CCO)(O)	C(CCO)(SC)2	122.4360	0.000	1	122.4360	0.000	1	122.4360	0.000	1	122.7280	9.106	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:C-2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(CC)	C(CC[5]H)(CCC)(H)	C(CC[5]H)(CCC)(H)	C(CCH)2(CC)	C(CC[5]H)(CCC)(H)	C(CC[5]H)(CCC)(H)	126.2930	0.000	1	126.2930	0.000	1	125.5960	5.984	3	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:C-2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(CN)	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	C(CCH)2(CN)	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	125.2475	3.352	2	125.2475	11.239	2	125.5960	5.984	3	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:C-2:	C-3:C-3:H-1:	C-3:N-3:O-1:	C(CCH)(CNO)(CN)	C(CCC)(CCH)(H)	C(CCC)(NCH)(O)	C(CCH)(CNO)(CN)	C(CCC)(CCH)(H)	C(CCC)(NCH)(O)	120.4100	0.000	1	120.4100	0.000	1	120.4100	0.000	1	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:C-2:	C-3:N-3:S-1:	C-3:N-3:O-1:	C(CNO)(CNS)(CN)	C(CCC)(NCH)(S)	C(CCC)(NHH)(O)	C(CNO)(CNS)(CN)	C(CCC)(NCH)(S)	C(CCC)(NHH)(O)	124.8710	0.000	1	124.8710	0.000	1	124.8710	0.000	1	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:C-2:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(CC)	C(C[5]C[5]2)(CCC)(H)	C(CCC)(CCH)(H)	C(CC[5]H)(CCH)(CC)	C(C[5]C[5]2)(CCC)(H)	C(CCC)(CCH)(H)	127.2180	0.000	1	127.2180	0.000	1	127.2180	0.000	1	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:C-2:	C[5a]-3:C-3:H-1:	C-3:N-3:O-1:	C(CC[5a]H)(CNO)(CN)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CCC)(NCH)(O)	C(CC[5a]H)(CNO)(CN)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CCC)(NCH)(O)	118.4755	0.250	2	118.4755	0.062	2	118.4755	0.062	2	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:C-2:	C[5a]-3:C-3:O-1:	C-3:C-3:H-1:	C(CC[5a]O)(CCH)(CN)	C(C[5a]C[5a]O[5a])(CCC)(O)	C(CCC)(CCH)(H)	C(CC[5a]O)(CCH)(CN)	C(C[5a]C[5a]O[5a])(CCC)(O)	C(CCC)(CCH)(H)	118.3350	0.000	1	118.3350	0.000	1	118.3350	0.000	1	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:C-2:	C[5a]-3:C-3:O-1:	C-3:N-3:H-1:	C(CC[5a]O)(CHN)(CN)	C(C[5a]C[5a,6a]C[5a])(CCC)(O)	C(CCC)(NCC)(H)	C(CC[5a]O)(CHN)(CN)	C(C[5a]C[5a,6a]C[5a])(CCC)(O)	C(CCC)(NCC)(H)	117.2630	0.000	1	117.2630	0.000	1	117.2630	0.000	1	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:C-2:	C[5a]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[5a]O)(CC[6a]H)(CN)	C(C[5a]C[5a,6a]C[5a])(CCC)(O)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[5a]O)(CC[6a]H)(CN)	C(C[5a]C[5a,6a]C[5a])(CCC)(O)	C(C[6a]C[6a]2)(CCC)(H)	117.1050	0.000	1	117.1050	0.000	1	117.1050	0.000	1	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCH)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(CCH)(H)	C(CC[6a]H)(CCH)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(CCH)(H)	121.0525	0.070	2	121.0525	0.005	2	121.0525	0.005	2	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:N-3:O-1:	C(CC[6a]H)(CNO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(NCH)(O)	C(CC[6a]H)(CNO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(NCH)(O)	118.8620	0.699	2	118.8620	0.488	2	118.6576	0.466	15	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:N-3:O-1:	C(CC[6a]H)(CNO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(NHH)(O)	C(CC[6a]H)(CNO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(NHH)(O)	118.6262	0.703	13	118.6262	0.494	13	118.6576	0.466	15	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:N-3:S-1:	C(CC[6a]H)(CNS)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(NHH)(S)	C(CC[6a]H)(CNS)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(NHH)(S)	122.6966	0.643	5	122.6966	0.413	5	122.6966	0.413	5	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(CC[6a]H)(CC[6a]O)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]H)(CC[6a]O)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(C[6a]C[6a]2)(CCC)(O)	123.3780	0.000	1	123.3780	0.000	1	123.3780	0.000	1	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	N-3:C-3:O-1:	C(CC[6a]H)(CNO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCC)(O)	C(CC[6a]H)(CNO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCC)(O)	118.0813	0.816	3	118.0813	0.665	3	118.0813	0.665	3	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:C-2:	C[6a]-3:C-3:O-1:	C-3:C-3:H-1:	C(CC[6a]O)(CCH)(CN)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)2(H)	C(CC[6a]O)(CCH)(CN)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)2(H)	120.8185	2.125	4	120.8185	4.514	4	120.8185	4.514	4	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:C-2:	N-3:C-3:H-1:	N-3:C-3:H-1:	C(CHN)2(CN)	C(NC[6a]Cu)(CCC)(H)	C(NC[6a]Cu)(CCC)(H)	C(CHN)2(CN)	C(NC[6a]Cu)(CCC)(H)	C(NC[6a]Cu)(CCC)(H)	125.3405	1.497	2	125.3405	2.241	2	125.3405	2.241	2	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:C-2:	N-3:C-3:O-1:	C-3:N-3:H-1:	C(CHN)(CNO)(CN)	C(NC[6a]H)(CCC)(O)	C(CCC)(NCC)(H)	C(CHN)(CNO)(CN)	C(NC[6a]H)(CCC)(O)	C(CCC)(NCC)(H)	116.6120	0.320	3	116.6120	0.102	3	116.6120	0.102	3	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:C-2:	N-3:C-3:O-1:	C-3:N-3:O-1:	C(CNO)2(CN)	C(NC[6a]H)(CCC)(O)	C(CCC)(NCH)(O)	C(CNO)2(CN)	C(NC[6a]H)(CCC)(O)	C(CCC)(NCH)(O)	119.3280	0.000	1	119.3280	0.000	1	119.3280	0.000	1	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:N-2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(NN)	C(CCH)(CCN)(H)	C(CCH)(CCN)(H)	C(CCH)2(NN)	C(CCH)(CCN)(H)	C(CCH)(CCN)(H)	126.9965	0.131	2	126.9965	0.017	2	127.2693	3.838	6	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:N-2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(NN)	C(CC[5]H)(CCN)(H)	C(CC[5]H)(CCN)(H)	C(CCH)2(NN)	C(CC[5]H)(CCN)(H)	C(CC[5]H)(CCN)(H)	128.6560	0.310	3	128.6560	0.096	3	127.2693	3.838	6	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:N-2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(NO)	C(CC[6,6]H)(CCN)(H)	C(CC[6,6]H)(CCN)(H)	C(CCH)2(NO)	C(CC[6,6]H)(CCN)(H)	C(CC[6,6]H)(CCN)(H)	123.6550	0.000	1	123.6550	0.000	1	127.2693	3.838	6	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:N-2:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(CC[5a]H)(CC[6a]O)(NC)	C(C[5a]C[5a]N[5a])(CCN)(H)	C(C[6a]C[6a]2)(CCN)(O)	C(CC[5a]H)(CC[6a]O)(NC)	C(C[5a]C[5a]N[5a])(CCN)(H)	C(C[6a]C[6a]2)(CCN)(O)	116.5760	0.000	1	116.5760	0.000	1	116.5760	0.000	1	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:N-2:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:O-1:	C(CC[6a]O)2(NN)	C(C[6a]C[6a]2)(CCN)(O)	C(C[6a]C[6a]2)(CCN)(O)	C(CC[6a]O)2(NN)	C(C[6a]C[6a]2)(CCN)(O)	C(C[6a]C[6a]2)(CCN)(O)	120.3103	1.474	6	120.3103	2.173	6	120.3103	2.173	6	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:N-2:	N-3:C-3:O-1:	C-3:N-3:H-1:	C(CHN)(CNO)(NC)	C(NC[6a]C)(CCN)(O)	C(CCN)(NCC)(H)	C(CHN)(CNO)(NC)	C(NC[6a]C)(CCN)(O)	C(CCN)(NCC)(H)	114.8410	0.576	2	114.8410	0.331	2	114.8410	0.331	2	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:Cl-1:	C-3:C-3:O-1:	C(CClC)(CCO)(OH)	C(CCO)(CNO)(Cl)	C(CCH)(CCO)(O)	C(CClC)(CCO)(OH)	C(CCO)(CNO)(Cl)	C(CCH)(CCO)(O)	129.1820	0.000	1	129.1820	0.000	1	129.1820	0.000	1	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(OB)	C(CC[6a]H)(CCO)(H)	C(CC[6a]H)(CCO)(H)	C(CCH)2(OB)	C(CC[6a]H)(CCO)(H)	C(CC[6a]H)(CCO)(H)	122.4350	0.000	1	122.4350	0.000	1	122.8217	10.051	47	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(OC)	C(CCH)(CCO)(H)	C(CCH)(CCO)(H)	C(CCH)2(OC)	C(CCH)(CCO)(H)	C(CCH)(CCO)(H)	126.3042	1.457	4	126.3042	2.122	4	122.8217	10.051	47	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(OC)	C(CC[5]H)(CCO)(H)	C(CC[5]H)(CCO)(H)	C(CCH)2(OC)	C(CC[5]H)(CCO)(H)	C(CC[5]H)(CCO)(H)	125.0930	0.000	1	125.0930	0.000	1	122.8217	10.051	47	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(OC)	C(CC[5x3,5x5,20x6]H)(CCO)(H)	C(CCC)(CCO)(H)	C(CCH)2(OC)	C(CC[5x3,5x5,20x6]H)(CCO)(H)	C(CCC)(CCO)(H)	126.3670	0.000	1	126.3670	0.000	1	122.8217	10.051	47	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(OC)	C(CC[5x3,5x5,20x6]H)(CCO)(H)	C(CCH)(CCO)(H)	C(CCH)2(OC)	C(CC[5x3,5x5,20x6]H)(CCO)(H)	C(CCH)(CCO)(H)	126.8320	0.000	1	126.8320	0.000	1	122.8217	10.051	47	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(OH)	C(CCH)(CCO)(H)	C(CCH)(CCO)(H)	C(CCH)2(OH)	C(CCH)(CCO)(H)	C(CCH)(CCO)(H)	126.3103	0.345	6	126.3103	0.119	6	122.8217	10.051	47	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(OH)	C(CC[5a]H)(CCO)(H)	C(CC[6a]O)(CCO)(H)	C(CCH)2(OH)	C(CC[5a]H)(CCO)(H)	C(CC[6a]O)(CCO)(H)	121.8520	0.930	3	121.8520	0.864	3	122.8217	10.051	47	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(OH)	C(CC[6a]H)(CCO)(H)	C(CCO)(COO)(H)	C(CCH)2(OH)	C(CC[6a]H)(CCO)(H)	C(CCO)(COO)(H)	123.1010	0.000	1	123.1010	0.000	1	122.8217	10.051	47	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(OH)	C(CC[6a]H)(CCO)(H)	C(CCO)2(H)	C(CCH)2(OH)	C(CC[6a]H)(CCO)(H)	C(CCO)2(H)	122.4349	1.041	14	122.4349	1.083	14	122.8217	10.051	47	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(OH)	C(CC[6a]H)(CCO)(H)	C(CC[6a]O)(CCO)(H)	C(CCH)2(OH)	C(CC[6a]H)(CCO)(H)	C(CC[6a]O)(CCO)(H)	121.4784	0.515	5	121.4784	0.266	5	122.8217	10.051	47	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(ONi)	C(CCN)(CCO)(H)	C(CCN)(CCO)(H)	C(CCH)2(ONi)	C(CCN)(CCO)(H)	C(CCN)(CCO)(H)	117.8845	1.029	2	117.8845	1.059	2	122.8217	10.051	47	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(ORh)	C(CC[6a]H)(CCO)(H)	C(CCO)2(H)	C(CCH)2(ORh)	C(CC[6a]H)(CCO)(H)	C(CCO)2(H)	117.2930	1.512	2	117.2930	2.286	2	122.8217	10.051	47	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(ORh)	C(CC[6a]Rh)(CCO)(H)	C(CC[6a]2)(CCO)(H)	C(CCH)2(ORh)	C(CC[6a]Rh)(CCO)(H)	C(CC[6a]2)(CCO)(H)	127.6140	0.000	1	127.6140	0.000	1	122.8217	10.051	47	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(ORu)	C(CC[6a]H)(CCO)(H)	C(CCO)2(H)	C(CCH)2(ORu)	C(CC[6a]H)(CCO)(H)	C(CCO)2(H)	117.0880	1.643	2	117.0880	2.700	2	122.8217	10.051	47	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(OS)	C(CC[6a]H)(CCO)(H)	C(CCO)(COO)(H)	C(CCH)2(OS)	C(CC[6a]H)(CCO)(H)	C(CCO)(COO)(H)	128.6610	0.000	1	128.6610	0.000	1	122.8217	10.051	47	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(OZn)	C(CC[6a]H)(CCO)(H)	C(CCO)2(H)	C(CCH)2(OZn)	C(CC[6a]H)(CCO)(H)	C(CCO)2(H)	118.9340	0.216	2	118.9340	0.047	2	122.8217	10.051	47	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(CCH)(CCO)(OC)	C(CCH)(CCO)(H)	C(CCH)(CCO)(O)	C(CCH)(CCO)(OC)	C(CCH)(CCO)(H)	C(CCH)(CCO)(O)	128.9910	2.704	2	128.9910	7.311	2	129.4592	1.177	19	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(CCH)(CCO)(OH)	C(CCC)(CCO)(H)	C(CCO)2(O)	C(CCH)(CCO)(OH)	C(CCC)(CCO)(H)	C(CCO)2(O)	130.0550	0.000	1	130.0550	0.000	1	129.4592	1.177	19	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(CCH)(CCO)(OH)	C(CCH)(CCO)(H)	C(CCH)(CCO)(O)	C(CCH)(CCO)(OH)	C(CCH)(CCO)(H)	C(CCH)(CCO)(O)	128.9921	0.414	11	128.9921	0.171	11	129.4592	1.177	19	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(CCH)(CCO)(OH)	C(CCH)(CCO)(H)	C(CCI)(CCO)(O)	C(CCH)(CCO)(OH)	C(CCH)(CCO)(H)	C(CCI)(CCO)(O)	130.8650	0.000	1	130.8650	0.000	1	129.4592	1.177	19	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(CCH)(CCO)(OH)	C(CCH)(CCO)(H)	C(CCN)(CCO)(O)	C(CCH)(CCO)(OH)	C(CCH)(CCO)(H)	C(CCN)(CCO)(O)	129.8890	0.000	1	129.8890	0.000	1	129.4592	1.177	19	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(CCH)(CCO)(OH)	C(CCH)(CCO)(H)	C(CCO)2(O)	C(CCH)(CCO)(OH)	C(CCH)(CCO)(H)	C(CCO)2(O)	130.1980	1.017	2	130.1980	1.034	2	129.4592	1.177	19	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(CCH)(CCO)(OS)	C(CCH)(CCO)(H)	C(CCH)(CCO)(O)	C(CCH)(CCO)(OS)	C(CCH)(CCO)(H)	C(CCH)(CCO)(O)	131.6250	0.000	1	131.6250	0.000	1	129.4592	1.177	19	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:O-1:	C-3:C-3:Br-1:	C(CBrC)(CCO)(OH)	C(CBrC)(CCO)(O)	C(CCH)(CCO)(Br)	C(CBrC)(CCO)(OH)	C(CBrC)(CCO)(O)	C(CCH)(CCO)(Br)	128.4860	0.000	1	128.4860	0.000	1	128.4860	0.000	1	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:O-1:	C-3:C-3:H-1:	C(CCH)(CCO)(OS)	C(CBrC)(CCO)(O)	C(CCC)(CCO)(H)	C(CCH)(CCO)(OS)	C(CBrC)(CCO)(O)	C(CCC)(CCO)(H)	133.3330	0.000	1	133.3330	0.000	1	133.3330	0.000	1	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:O-1:	C-3:N-3:H-1:	C(CCO)(CHN)(OC)	C(CCO)(CNO)(O)	C(CCO)(NCC)(H)	C(CCO)(CHN)(OC)	C(CCO)(CNO)(O)	C(CCO)(NCC)(H)	118.9340	0.000	1	118.9340	0.000	1	118.9340	0.000	1	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:O-2:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCH)(OC)	C(C[5]C[5,6a]C[5])(CCO)(H)	C(CCO)(COO)(H)	C(CC[5]H)(CCH)(OC)	C(C[5]C[5,6a]C[5])(CCO)(H)	C(CCO)(COO)(H)	123.6670	0.000	1	123.6670	0.000	1	123.6670	0.000	1	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:O-2:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCH)(OH)	C(C[6]C[6]2)(CCO)(H)	C(CCH)(CCO)(H)	C(CC[6]H)(CCH)(OH)	C(C[6]C[6]2)(CCO)(H)	C(CCH)(CCO)(H)	119.0903	0.941	9	119.0903	0.886	9	119.0903	0.886	9	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:O-2:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCH)(OC)	C(C[6a]C[6a]2)(CCO)(H)	C(CCO)(CHH)(H)	C(CC[6a]H)(CCH)(OC)	C(C[6a]C[6a]2)(CCO)(H)	C(CCO)(CHH)(H)	124.3210	0.000	1	124.3210	0.000	1	126.7025	11.343	2	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:O-2:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCH)(OC)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]2)(CCO)(H)	C(CC[6a]H)(CCH)(OC)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]2)(CCO)(H)	129.0840	0.000	1	129.0840	0.000	1	126.7025	11.343	2	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:O-2:	C[6a]-3:C-3:H-1:	C-3:C-3:O-1:	C(CC[6a]H)(CCO)(OC)	C(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CCC)(CCO)(O)	C(CC[6a]H)(CCO)(OC)	C(C[6a]C[6a,6a]C[6a])(CCO)(H)	C(CCC)(CCO)(O)	129.9295	0.400	2	129.9295	0.160	2	129.9295	0.160	2	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:O-2:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(CC[6a]H)(CC[6a]O)(OH)	C(C[6a]C[6a]2)(CCO)(H)	C(C[6a]C[6a]2)(CCO)(O)	C(CC[6a]H)(CC[6a]O)(OH)	C(C[6a]C[6a]2)(CCO)(H)	C(C[6a]C[6a]2)(CCO)(O)	121.4000	0.000	1	121.4000	0.000	1	121.4000	0.000	1	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:O-2:	N-3:C-3:H-1:	C-3:C-3:O-1:	C(CCO)(CHN)(OC)	C(NC[6a]C)(CCO)(H)	C(CCO)(CNO)(O)	C(CCO)(CHN)(OC)	C(NC[6a]C)(CCO)(H)	C(CCO)(CNO)(O)	119.7780	0.000	1	119.7780	0.000	1	119.7780	0.000	1	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:S-2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(SAu)	C(CC[5]H)(CCS)(H)	C(CC[5]H)(CCS)(H)	C(CCH)2(SAu)	C(CC[5]H)(CCS)(H)	C(CC[5]H)(CCS)(H)	124.9300	0.513	2	124.9300	0.264	2	126.3370	2.727	4	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:S-2:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(SH)	C(CC[5]H)(CCS)(H)	C(CC[5]H)(CCS)(H)	C(CCH)2(SH)	C(CC[5]H)(CCS)(H)	C(CC[5]H)(CCS)(H)	127.7440	0.007	2	127.7440	0.000	2	126.3370	2.727	4	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:S-2:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(CCH)(CCO)(SC)	C(CCH)(CCS)(H)	C(CCS)2(O)	C(CCH)(CCO)(SC)	C(CCH)(CCS)(H)	C(CCS)2(O)	127.8935	0.794	2	127.8935	0.631	2	127.8935	0.631	2	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:S-2:	C[5a]-3:C-3:O-1:	C-3:C-3:H-1:	C(CC[5a]O)(CCH)(SC)	C(C[5a]C[5a]S[5a])(CCS)(O)	C(CC[5a]O)(CCS)(H)	C(CC[5a]O)(CCH)(SC)	C(C[5a]C[5a]S[5a])(CCS)(O)	C(CC[5a]O)(CCS)(H)	117.4910	0.929	2	117.4910	0.863	2	117.4910	0.863	2	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:S-2:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(CC[6a]H)(CC[6a]O)(SC)	C(C[6a]C[6a]2)(CCS)(H)	C(C[6a]C[6a]2)(CCS)(O)	C(CC[6a]H)(CC[6a]O)(SC)	C(C[6a]C[6a]2)(CCS)(H)	C(C[6a]C[6a]2)(CCS)(O)	118.3037	0.478	6	118.3037	0.229	6	118.3037	0.229	6	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:S-2:	C[6a]-3:C-3:O-1:	C-3:C-3:H-1:	C(CC[6a]O)(CCH)(SC)	C(C[6a]C[6a]2)(CCS)(O)	C(CC[5a]O)(CCS)(H)	C(CC[6a]O)(CCH)(SC)	C(C[6a]C[6a]2)(CCS)(O)	C(CC[5a]O)(CCS)(H)	116.1610	0.000	1	116.1610	0.000	1	119.5660	11.242	6	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:S-2:	C[6a]-3:C-3:O-1:	C-3:C-3:H-1:	C(CC[6a]O)(CCH)(SC)	C(C[6a]C[6a]2)(CCS)(O)	C(CC[6a]O)(CCS)(H)	C(CC[6a]O)(CCH)(SC)	C(C[6a]C[6a]2)(CCS)(O)	C(CC[6a]O)(CCS)(H)	120.2470	3.252	5	120.2470	10.575	5	119.5660	11.242	6	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:1:	C-3:C-3:S-2:	C[6a]-3:C-3:O-1:	C-3:N-3:H-1:	C(CC[6a]O)(CHN)(SC)	C(C[6a]C[6a]2)(CCS)(O)	C(CCS)(NHH)(H)	C(CC[6a]O)(CHN)(SC)	C(C[6a]C[6a]2)(CCS)(O)	C(CCS)(NHH)(H)	125.3600	0.000	1	125.3600	0.000	1	125.3600	0.000	1	122.6495	19.486	169	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:2:	C-3:C-3:C-2:	C[5]-3:C-3:H-1:	C-3:C-3:C-2:	C(CC[5]H)(CCC)(CN)	C(C[5]C[5]2)(CCC)(H)	C(CCC)(CCH)(CN)	C(CC[5]H)(CCC)(CN)	C(C[5]C[5]2)(CCC)(H)	C(CCC)(CCH)(CN)	128.0700	0.000	1	128.0700	0.000	1	128.0700	0.000	1	120.1940	9.354	20	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:2:	C-3:C-3:C-2:	C[6a]-3:C-3:O-1:	N-3:C-3:S-2:	C(CC[6a]O)(CNS)(CN)	C(C[6a]C[6a]2)(CCC)(O)	C(NC[6a]H)(CCC)(SC)	C(CC[6a]O)(CNS)(CN)	C(C[6a]C[6a]2)(CCC)(O)	C(NC[6a]H)(CCC)(SC)	121.7950	0.000	1	121.7950	0.000	1	121.7950	0.000	1	120.1940	9.354	20	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:2:	C-3:C-3:C-2:	N-3:C-3:O-1:	C-3:N-3:O-2:	C(CNO)2(CN)	C(NC[6a]H)(CCC)(O)	C(CCC)(NCC)(OH)	C(CNO)2(CN)	C(NC[6a]H)(CCC)(O)	C(CCC)(NCC)(OH)	118.1759	0.534	12	118.1759	0.285	12	118.2425	0.319	13	120.1940	9.354	20	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:2:	C-3:C-3:C-2:	N-3:C-3:O-1:	C-3:N-3:O-2:	C(CNO)2(CN)	C(NC[6a]H)(CCC)(O)	C(CCC)(NCH)(OH)	C(CNO)2(CN)	C(NC[6a]H)(CCC)(O)	C(CCC)(NCH)(OH)	119.0410	0.000	1	119.0410	0.000	1	118.2425	0.319	13	120.1940	9.354	20	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:2:	C-3:C-3:C-2:	N-3:C-3:O-1:	C-3:N-3:S-2:	C(CNO)(CNS)(CN)	C(NC[6a]H)(CCC)(O)	C(CCC)(NHS)(SC)	C(CNO)(CNS)(CN)	C(NC[6a]H)(CCC)(O)	C(CCC)(NHS)(SC)	122.8270	0.000	1	122.8270	0.000	1	122.8270	0.000	1	120.1940	9.354	20	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:2:	C-3:C-3:C-2:	N-3:C-3:S-1:	C-3:N-3:O-2:	C(CNO)(CNS)(CN)	C(NC[6a]H)(CCC)(S)	C(CCC)(NCH)(OH)	C(CNO)(CNS)(CN)	C(NC[6a]H)(CCC)(S)	C(CCC)(NCH)(OH)	125.1550	0.000	1	125.1550	0.000	1	125.1550	0.000	1	120.1940	9.354	20	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:2:	C-3:C-3:N-2:	C[6a]-3:C-3:H-1:	C-3:C-3:N-2:	C(CC[6a]H)(CCN)(NC)	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(CCN)(NC)	C(CC[6a]H)(CCN)(NC)	C(C[6a]C[6a]2)(CCN)(H)	C(CC[6a]H)(CCN)(NC)	124.8250	0.000	1	124.8250	0.000	1	124.8250	0.000	1	120.1940	9.354	20	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:2:	C-3:C-3:O-2:	C-3:C-3:H-1:	C-3:C-3:O-2:	C(CCH)(CCO)(OH)	C(CC[6a]O)(CCO)(H)	C(CCH)(CCO)(OH)	C(CCH)(CCO)(OH)	C(CC[6a]O)(CCO)(H)	C(CCH)(CCO)(OH)	122.0285	0.279	2	122.0285	0.078	2	122.0285	0.078	2	120.1940	9.354	20	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:3:	C-3:C-3:O-2:	C-3:C-3:H-1:	C-3:C-3:C-3:	C(CCC)(CCH)(OH)	C(CC[6a]H)(CCO)(H)	C(CCO)2(COO)	C(CCC)(CCH)(OH)	C(CC[6a]H)(CCO)(H)	C(CCO)2(COO)	123.2520	0.000	1	123.2520	0.000	1	123.2520	0.000	1	124.0267	19.407	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:3:	C-3:C-3:O-2:	C[6a]-3:C-3:H-1:	C-3:C-3:C-3:	C(CC[6a]H)(CCC)(OC)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(CCO)2	C(CC[6a]H)(CCC)(OC)	C(C[6a]C[6a]2)(CCO)(H)	C(CC[6a]H)(CCO)2	128.7680	0.000	1	128.7680	0.000	1	128.7680	0.000	1	124.0267	19.407	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	3:3:3:	C-3:C-3:S-2:	C[6a]-3:C-3:O-1:	N[6]-3:C-3:C-3:	C(CC[6a]O)(CN[6]C)(SC[6a])	C(C[6a]C[6a]2)(CCS)(O)	C(N[6]C[6]2)(CCS)(COO)	C(CC[6a]O)(CN[6]C)(SC[6a])	C(C[6a]C[6a]2)(CCS)(O)	C(N[6]C[6]2)(CCS)(COO)	120.0600	0.000	1	120.0600	0.000	1	120.0600	0.000	1	124.0267	19.407	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	4:3:1:	C-3:C-3:C-2:	C[5a]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[5a]H)(CCO)(CN)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CH3)(CCC)(O)	C(CC[5a]H)(CCO)(CN)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CH3)(CCC)(O)	123.7930	0.000	1	123.7930	0.000	1	123.7930	0.000	1	122.1369	7.237	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	4:3:1:	C-3:C-3:C-2:	N-3:C-3:H-1:	C-4:C-3:O-1:	C(CCO)(CHN)(CN)	C(NC[6a]H)(CCC)(H)	C(CH3)(CCC)(O)	C(CCO)(CHN)(CN)	C(NC[6a]H)(CCC)(H)	C(CH3)(CCC)(O)	123.4450	0.000	1	123.4450	0.000	1	123.4450	0.000	1	122.1369	7.237	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	4:3:1:	C-3:C-3:N-2:	C-3:N-3:O-1:	C-4:C-3:O-1:	C(CCO)(CNO)(NN)	C(CCN)(NCC)(O)	C(CH3)(CCN)(O)	C(CCO)(CNO)(NN)	C(CCN)(NCC)(O)	C(CH3)(CCN)(O)	118.5480	1.575	6	118.5480	2.481	6	118.5480	2.481	6	122.1369	7.237	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	4:3:1:	C-3:C-3:N-2:	N-3:C-3:O-1:	C-4:C-3:O-1:	C(CCO)(CNO)(NN)	C(NC[6a]H)(CCN)(O)	C(CH3)(CCN)(O)	C(CCO)(CNO)(NN)	C(NC[6a]H)(CCN)(O)	C(CH3)(CCN)(O)	123.7072	0.345	6	123.7072	0.119	6	123.7072	0.119	6	122.1369	7.237	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	4:3:1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)2(OC)	C(CC[6a]H)(CCO)(H)	C(CSnCH)(CCO)(H)	C(CCH)2(OC)	C(CC[6a]H)(CCO)(H)	C(CSnCH)(CCO)(H)	125.0420	0.000	1	125.0420	0.000	1	124.1750	1.503	2	122.1369	7.237	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	4:3:1:	C-3:C-3:O-2:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)2(OFe)	C(CC[6a]H)(CCO)(H)	C(CFe2S)(CCO)(H)	C(CCH)2(OFe)	C(CC[6a]H)(CCO)(H)	C(CFe2S)(CCO)(H)	123.3080	0.000	1	123.3080	0.000	1	124.1750	1.503	2	122.1369	7.237	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	4:3:1:	C-3:C-3:O-2:	C-3:N-3:H-1:	C-4:C-3:O-1:	C(CCO)(CHN)(OC)	C(CCO)(NCH)(H)	C(CH3)(CCO)(O)	C(CCO)(CHN)(OC)	C(CCO)(NCH)(H)	C(CH3)(CCO)(O)	122.9750	0.000	1	122.9750	0.000	1	122.9750	0.000	1	122.1369	7.237	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	4:3:1:	C-3:C-3:O-2:	C[6a]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[6a]H)(CCO)(OH)	C(C[6a]C[6a]2)(CCO)(H)	C(CH3)(CCO)(O)	C(CC[6a]H)(CCO)(OH)	C(C[6a]C[6a]2)(CCO)(H)	C(CH3)(CCO)(O)	123.4580	0.000	1	123.4580	0.000	1	123.4580	0.000	1	122.1369	7.237	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	4:3:1:	C-3:C-3:O-2:	C[6a]-3:C-3:O-1:	C-4:C-3:H-1:	C(CC[6a]O)(CCH)(OC)	C(C[6a]C[6a]2)(CCO)(O)	C(CC3)(CCO)(H)	C(CC[6a]O)(CCH)(OC)	C(C[6a]C[6a]2)(CCO)(O)	C(CC3)(CCO)(H)	125.0500	0.000	1	125.0500	0.000	1	125.0500	0.000	1	122.1369	7.237	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	4:3:2:	C-3:C-3:C-2:	N-3:C-3:O-1:	C-4:C-3:O-2:	C(CCO)(CNO)(CN)	C(NC[5a]H)(CCC)(O)	C(CH3)(CCC)(OH)	C(CCO)(CNO)(CN)	C(NC[5a]H)(CCC)(O)	C(CH3)(CCC)(OH)	120.6330	0.755	2	120.6330	0.570	2	119.7519	2.919	11	119.7986	2.680	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	4:3:2:	C-3:C-3:C-2:	N-3:C-3:O-1:	C-4:C-3:O-2:	C(CCO)(CNO)(CN)	C(NC[6a]C)(CCC)(O)	C(CCFF)(CCC)(OH)	C(CCO)(CNO)(CN)	C(NC[6a]C)(CCC)(O)	C(CCFF)(CCC)(OH)	116.5170	0.635	2	116.5170	0.403	2	119.7519	2.919	11	119.7986	2.680	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	4:3:2:	C-3:C-3:C-2:	N-3:C-3:O-1:	C-4:C-3:O-2:	C(CCO)(CNO)(CN)	C(NC[6a]C)(CCC)(O)	C(CH3)(CCC)(OH)	C(CCO)(CNO)(CN)	C(NC[6a]C)(CCC)(O)	C(CH3)(CCC)(OH)	119.1510	0.000	1	119.1510	0.000	1	119.7519	2.919	11	119.7986	2.680	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	4:3:2:	C-3:C-3:C-2:	N-3:C-3:O-1:	C-4:C-3:O-2:	C(CCO)(CNO)(CN)	C(NC[6a]H)(CCC)(O)	C(CH3)(CCC)(OH)	C(CCO)(CNO)(CN)	C(NC[6a]H)(CCC)(O)	C(CH3)(CCC)(OH)	120.6367	0.367	6	120.6367	0.135	6	119.7519	2.919	11	119.7986	2.680	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	4:3:2:	C-3:C-3:N-2:	C[6a]-3:C-3:O-1:	C-4:C-3:O-2:	C(CC[6a]O)(CCO)(NN)	C(C[6a]C[6a]2)(CCN)(O)	C(CC[6a]HH)(CCN)(OC)	C(CC[6a]O)(CCO)(NN)	C(C[6a]C[6a]2)(CCN)(O)	C(CC[6a]HH)(CCN)(OC)	120.3120	0.000	1	120.3120	0.000	1	120.3120	0.000	1	119.7986	2.680	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	4:4:3:	C-3:C-3:C-2:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CCC)(CCH)(CC)	C(CCC)(CCH)(H)	C(CH3)2(CCC)	C(CCC)(CCH)(CC)	C(CCC)(CCH)(H)	C(CH3)2(CCC)	123.8610	0.000	1	123.8610	0.000	1	123.8610	0.000	1	126.7360	16.531	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:1:	4:4:3:	C-3:C-3:C-2:	N[5]-3:C-3:O-1:	C-4:C-4:C-3:	C(CN[5]O)(CCC)(CN)	C(N[5]C[5,6a]C[5])(CCC)(O)	C(CC[6a]CH)(CH3)(CCC)	C(CN[5]O)(CCC)(CN)	C(N[5]C[5,6a]C[5])(CCC)(O)	C(CC[6a]CH)(CH3)(CCC)	129.6110	0.000	1	129.6110	0.000	1	129.6110	0.000	1	126.7360	16.531	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:1:1:	C-3:C-3:O-2:	C-3:C-3:C-2:	C-3:H-1:H-1:	C(CCC)(CHH)(ONi)	C(CCN)(CCO)(CN)	C(CCO)(H)2	C(CCC)(CHH)(ONi)	C(CCN)(CCO)(CN)	C(CCO)(H)2	121.5780	0.000	1	121.5780	0.000	1	121.5780	0.000	1	121.5780	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:2:1:	C-3:C-3:C-2:	C-3:C-3:C-2:	C-3:O-2:O-1:	C(CCC)(COO)(CN)	C(CCC)(COO)(CN)	C(CCC)(OC)(O)	C(CCC)(COO)(CN)	C(CCC)(COO)(CN)	C(CCC)(OC)(O)	122.1330	0.000	1	122.1330	0.000	1	122.1330	0.000	1	122.6511	4.406	94	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:2:1:	C-3:C-3:C-2:	C-3:S-3:S-2:	C-3:O-2:O-1:	C(COO)(CSS)(CN)	C(CCC)(SCO)(SC)	C(CCC)(OC)(O)	C(COO)(CSS)(CN)	C(CCC)(SCO)(SC)	C(CCC)(OC)(O)	119.6710	0.000	1	119.6710	0.000	1	119.6710	0.000	1	122.6511	4.406	94	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:2:1:	C-3:C-3:C-2:	N-3:C-3:S-2:	C-3:O-2:O-1:	C(CNS)(COO)(CN)	C(NC[6a]H)(CCC)(SH)	C(CCC)(OC)(O)	C(CNS)(COO)(CN)	C(NC[6a]H)(CCC)(SH)	C(CCC)(OC)(O)	121.9760	0.000	1	121.9760	0.000	1	121.9760	0.000	1	122.6511	4.406	94	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:2:1:	C-3:C-3:S-2:	C-3:C-3:S-2:	C-3:C-2:H-1:	C(CCH)(CCS)(SC)	C(CCH)(CCS)(SC)	C(CCS)(CC)(H)	C(CCH)(CCS)(SC)	C(CCH)(CCS)(SC)	C(CCS)(CC)(H)	120.2130	0.269	2	120.2130	0.072	2	120.2130	0.072	2	122.6511	4.406	94	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:2:1:	C-3:C-3:S-2:	C-3:C-3:S-2:	C-3:O-2:O-1:	C(CCS)(COO)(SCo)	C(CCS)(COO)(SCo)	C(CCS)(OC)(O)	C(CCS)(COO)(SCo)	C(CCS)(COO)(SCo)	C(CCS)(OC)(O)	124.8850	0.387	2	124.8850	0.150	2	122.7444	4.553	85	122.6511	4.406	94	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:2:1:	C-3:C-3:S-2:	C-3:C-3:S-2:	C-3:O-2:O-1:	C(CCS)(COO)(SCu)	C(CCS)(COO)(SCu)	C(CCS)(OC)(O)	C(CCS)(COO)(SCu)	C(CCS)(COO)(SCu)	C(CCS)(OC)(O)	123.6587	2.266	4	123.6587	5.134	4	122.7444	4.553	85	122.6511	4.406	94	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:2:1:	C-3:C-3:S-2:	C-3:C-3:S-2:	C-3:O-2:O-1:	C(CCS)(COO)(SFe)	C(CCS)(COO)(SFe)	C(CCS)(OC)(O)	C(CCS)(COO)(SFe)	C(CCS)(COO)(SFe)	C(CCS)(OC)(O)	123.9666	1.185	9	123.9666	1.405	9	122.7444	4.553	85	122.6511	4.406	94	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:2:1:	C-3:C-3:S-2:	C-3:C-3:S-2:	C-3:O-2:O-1:	C(CCS)(COO)(SIr)	C(CCS)(COO)(SIr)	C(CCS)(OC)(O)	C(CCS)(COO)(SIr)	C(CCS)(COO)(SIr)	C(CCS)(OC)(O)	123.6292	1.717	4	123.6292	2.949	4	122.7444	4.553	85	122.6511	4.406	94	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:2:1:	C-3:C-3:S-2:	C-3:C-3:S-2:	C-3:O-2:O-1:	C(CCS)(COO)(SMo)	C(CCS)(COO)(SMo)	C(CCS)(OC)(O)	C(CCS)(COO)(SMo)	C(CCS)(COO)(SMo)	C(CCS)(OC)(O)	122.1611	1.956	32	122.1611	3.825	32	122.7444	4.553	85	122.6511	4.406	94	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:2:1:	C-3:C-3:S-2:	C-3:C-3:S-2:	C-3:O-2:O-1:	C(CCS)(COO)(SNi)	C(CCS)(COO)(SNi)	C(CCS)(OC)(O)	C(CCS)(COO)(SNi)	C(CCS)(COO)(SNi)	C(CCS)(OC)(O)	122.8887	2.077	6	122.8887	4.315	6	122.7444	4.553	85	122.6511	4.406	94	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:2:1:	C-3:C-3:S-2:	C-3:C-3:S-2:	C-3:O-2:O-1:	C(CCS)(COO)(SPt)	C(CCS)(COO)(SPt)	C(CCS)(OC)(O)	C(CCS)(COO)(SPt)	C(CCS)(COO)(SPt)	C(CCS)(OC)(O)	124.3260	1.301	2	124.3260	1.693	2	122.7444	4.553	85	122.6511	4.406	94	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:2:1:	C-3:C-3:S-2:	C-3:C-3:S-2:	C-3:O-2:O-1:	C(CCS)(COO)(SRh)	C(CCS)(COO)(SRh)	C(CCS)(OC)(O)	C(CCS)(COO)(SRh)	C(CCS)(COO)(SRh)	C(CCS)(OC)(O)	122.0470	1.515	2	122.0470	2.294	2	122.7444	4.553	85	122.6511	4.406	94	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:2:1:	C-3:C-3:S-2:	C-3:C-3:S-2:	C-3:O-2:O-1:	C(CCS)(COO)(SW)	C(CCS)(COO)(SW)	C(CCS)(OC)(O)	C(CCS)(COO)(SW)	C(CCS)(COO)(SW)	C(CCS)(OC)(O)	123.0606	2.254	20	123.0606	5.081	20	122.7444	4.553	85	122.6511	4.406	94	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:2:1:	C-3:C-3:S-2:	C-3:C-3:S-2:	C-3:O-2:O-1:	C(CCS)(COO)(SZn)	C(CCS)(COO)(SZn)	C(CCS)(OC)(O)	C(CCS)(COO)(SZn)	C(CCS)(COO)(SZn)	C(CCS)(OC)(O)	119.5523	2.401	4	119.5523	5.767	4	122.7444	4.553	85	122.6511	4.406	94	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:2:1:	C-3:C-3:Se-2:	C-3:C-3:Se-2:	C-3:O-2:O-1:	C(CSeC)(COO)(SeW)	C(CSeC)(COO)(SeW)	C(CSeC)(OC)(O)	C(CSeC)(COO)(SeW)	C(CSeC)(COO)(SeW)	C(CSeC)(OC)(O)	122.9295	1.250	4	122.9295	1.564	4	122.9295	1.564	4	122.6511	4.406	94	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:3:1:	C-3:C-3:C-2:	C-3:C-3:C-2:	C-3:C-3:H-1:	C(CCC)(CCH)(CC)	C(CCC)(CCH)(CC)	C(CCC)(CCH)(H)	C(CCC)(CCH)(CC)	C(CCC)(CCH)(CC)	C(CCC)(CCH)(H)	122.1860	0.000	1	122.1860	0.000	1	125.6840	10.870	3	124.8023	5.369	67	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:3:1:	C-3:C-3:C-2:	C-3:C-3:C-2:	C-3:C-3:H-1:	C(CCC)(CCH)(CN)	C(CCC)(CCO)(CN)	C(CCC)(CCH)(H)	C(CCC)(CCH)(CN)	C(CCC)(CCO)(CN)	C(CCC)(CCH)(H)	126.1320	0.000	1	126.1320	0.000	1	125.6840	10.870	3	124.8023	5.369	67	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:3:1:	C-3:C-3:C-2:	C-3:C-3:C-2:	C-3:C-3:H-1:	C(CCC)(CCH)(CN)	C(CC[5]H)(CCC)(CN)	C(CC[5]H)(CCC)(H)	C(CCC)(CCH)(CN)	C(CC[5]H)(CCC)(CN)	C(CC[5]H)(CCC)(H)	128.7340	0.000	1	128.7340	0.000	1	125.6840	10.870	3	124.8023	5.369	67	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:3:1:	C-3:C-3:C-2:	C-3:N-3:O-2:	C-3:N-3:O-1:	C(CNO)2(CN)	C(CCC)(NCH)(OH)	C(CCC)(NCH)(O)	C(CNO)2(CN)	C(CCC)(NCH)(OH)	C(CCC)(NCH)(O)	119.0700	0.000	1	119.0700	0.000	1	119.0590	0.000	2	124.8023	5.369	67	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:3:1:	C-3:C-3:C-2:	C-3:N-3:O-2:	C-3:N-3:O-1:	C(CNO)2(CN)	C(CCC)(NCH)(OH)	C(CCC)(NHH)(O)	C(CNO)2(CN)	C(CCC)(NCH)(OH)	C(CCC)(NHH)(O)	119.0480	0.000	1	119.0480	0.000	1	119.0590	0.000	2	124.8023	5.369	67	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:3:1:	C-3:C-3:C-2:	C-3:N-3:O-2:	C-3:N-3:S-1:	C(CNO)(CNS)(CN)	C(CCC)(NCH)(OH)	C(CCC)(NCH)(S)	C(CNO)(CNS)(CN)	C(CCC)(NCH)(OH)	C(CCC)(NCH)(S)	125.4350	0.000	1	125.4350	0.000	1	125.4350	0.000	1	124.8023	5.369	67	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:3:1:	C-3:C-3:C-2:	C-3:N-3:S-2:	C-3:N-3:O-1:	C(CNO)(CNS)(CN)	C(CCC)(NCH)(SC)	C(CCC)(NCH)(O)	C(CNO)(CNS)(CN)	C(CCC)(NCH)(SC)	C(CCC)(NCH)(O)	121.3230	0.000	1	121.3230	0.000	1	121.3230	0.000	1	124.8023	5.369	67	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:3:1:	C-3:C-3:C-2:	N-3:C-3:O-2:	C-3:N-3:O-1:	C(CNO)2(CN)	C(NC[6a]H)(CCC)(OH)	C(CCC)(NCH)(O)	C(CNO)2(CN)	C(NC[6a]H)(CCC)(OH)	C(CCC)(NCH)(O)	118.9955	0.528	2	118.9955	0.279	2	118.8173	0.235	3	124.8023	5.369	67	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:3:1:	C-3:C-3:C-2:	N-3:C-3:O-2:	C-3:N-3:O-1:	C(CNO)2(CN)	C(NC[6a]H)(CCC)(OH)	C(CCC)(NHH)(O)	C(CNO)2(CN)	C(NC[6a]H)(CCC)(OH)	C(CCC)(NHH)(O)	118.4610	0.000	1	118.4610	0.000	1	118.8173	0.235	3	124.8023	5.369	67	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:O-2:	C-3:C-3:Br-1:	C(CBrC)(CCO)(OCu)	C(CBrC)(CCO)(OCu)	C(CCH)(CCO)(Br)	C(CBrC)(CCO)(OCu)	C(CBrC)(CCO)(OCu)	C(CCH)(CCO)(Br)	123.6920	0.000	1	123.6920	0.000	1	124.7198	0.564	5	124.8023	5.369	67	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:O-2:	C-3:C-3:Br-1:	C(CBrC)(CCO)(OPd)	C(CBrC)(CCO)(OPd)	C(CCH)(CCO)(Br)	C(CBrC)(CCO)(OPd)	C(CBrC)(CCO)(OPd)	C(CCH)(CCO)(Br)	125.1240	0.884	2	125.1240	0.781	2	124.7198	0.564	5	124.8023	5.369	67	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:O-2:	C-3:C-3:Br-1:	C(CBrC)(CCO)(ORe)	C(CBrC)(CCO)(ORe)	C(CCH)(CCO)(Br)	C(CBrC)(CCO)(ORe)	C(CBrC)(CCO)(ORe)	C(CCH)(CCO)(Br)	124.8295	0.262	2	124.8295	0.069	2	124.7198	0.564	5	124.8023	5.369	67	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:O-2:	C-3:C-3:Cl-1:	C(CClC)(CCO)(ORh)	C(CClC)(CCO)(ORh)	C(CCH)(CCO)(Cl)	C(CClC)(CCO)(ORh)	C(CClC)(CCO)(ORh)	C(CCH)(CCO)(Cl)	125.7380	0.102	2	125.7380	0.010	2	125.7380	0.010	2	124.8023	5.369	67	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(OAg)	C(CCH)(CCO)(OAg)	C(CCH)(CCO)(H)	C(CCH)(CCO)(OAg)	C(CCH)(CCO)(OAg)	C(CCH)(CCO)(H)	124.2230	0.010	2	124.2230	0.000	2	125.7026	1.271	41	124.8023	5.369	67	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(OC)	C(CCH)(CCO)(OH)	C(CCH)(CCO)(H)	C(CCH)(CCO)(OC)	C(CCH)(CCO)(OH)	C(CCH)(CCO)(H)	124.9977	0.536	3	124.9977	0.288	3	125.7026	1.271	41	124.8023	5.369	67	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(OCo)	C(CCH)(CCO)(OCo)	C(CCH)(CCO)(H)	C(CCH)(CCO)(OCo)	C(CCH)(CCO)(OCo)	C(CCH)(CCO)(H)	125.4400	0.226	2	125.4400	0.051	2	125.7026	1.271	41	124.8023	5.369	67	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(OCu)	C(CCH)(CCO)(OCu)	C(CCH)(CCO)(H)	C(CCH)(CCO)(OCu)	C(CCH)(CCO)(OCu)	C(CCH)(CCO)(H)	124.8860	0.635	4	124.8860	0.403	4	125.7026	1.271	41	124.8023	5.369	67	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(OH)	C(CCH)(CCO)(OC)	C(CCC)(CCO)(H)	C(CCH)(CCO)(OH)	C(CCH)(CCO)(OC)	C(CCC)(CCO)(H)	126.6280	0.584	3	126.6280	0.341	3	125.7026	1.271	41	124.8023	5.369	67	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(OH)	C(CCH)(CCO)(OH)	C(CCC)(CCO)(H)	C(CCH)(CCO)(OH)	C(CCH)(CCO)(OH)	C(CCC)(CCO)(H)	127.4340	0.241	3	127.4340	0.058	3	125.7026	1.271	41	124.8023	5.369	67	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(OH)	C(CCH)(CCO)(OH)	C(CCH)(CCO)(H)	C(CCH)(CCO)(OH)	C(CCH)(CCO)(OH)	C(CCH)(CCO)(H)	126.5043	0.517	7	126.5043	0.267	7	125.7026	1.271	41	124.8023	5.369	67	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(OLi)	C(CCH)(CCO)(OLi)	C(CCH)(CCO)(H)	C(CCH)(CCO)(OLi)	C(CCH)(CCO)(OLi)	C(CCH)(CCO)(H)	124.9140	0.000	1	124.9140	0.000	1	125.7026	1.271	41	124.8023	5.369	67	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(ORh)	C(CCH)(CCO)(ORh)	C(CCH)(CCO)(H)	C(CCH)(CCO)(ORh)	C(CCH)(CCO)(ORh)	C(CCH)(CCO)(H)	125.1363	1.462	4	125.1363	2.137	4	125.7026	1.271	41	124.8023	5.369	67	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(OSn)	C(CCH)(CCO)(OSn)	C(CCH)(CCO)(H)	C(CCH)(CCO)(OSn)	C(CCH)(CCO)(OSn)	C(CCH)(CCO)(H)	125.6287	1.204	10	125.6287	1.450	10	125.7026	1.271	41	124.8023	5.369	67	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CCH)(CCO)(OZn)	C(CCH)(CCO)(OZn)	C(CCH)(CCO)(H)	C(CCH)(CCO)(OZn)	C(CCH)(CCO)(OZn)	C(CCH)(CCO)(H)	125.2410	0.127	2	125.2410	0.016	2	125.7026	1.271	41	124.8023	5.369	67	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:3:1:	C-3:C-3:S-2:	C-3:C-3:S-2:	C-3:C-3:H-1:	C(CCH)(CCS)(SCo)	C(CCH)(CCS)(SCo)	C(CCH)(CCS)(H)	C(CCH)(CCS)(SCo)	C(CCH)(CCS)(SCo)	C(CCH)(CCS)(H)	125.9970	0.629	4	125.9970	0.396	4	125.9970	0.396	4	124.8023	5.369	67	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:3:1:	C-3:C-3:S-2:	C-3:C-3:S-2:	C-3:N-3:O-1:	C(CCS)(CNO)(SNi)	C(CCS)(CNO)(SNi)	C(CCS)(NHH)(O)	C(CCS)(CNO)(SNi)	C(CCS)(CNO)(SNi)	C(CCS)(NHH)(O)	122.7950	0.954	4	122.7950	0.911	4	122.7950	0.911	4	124.8023	5.369	67	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:3:1:	C-3:C-3:S-2:	C[6a]-3:C-3:O-2:	C-3:N-3:O-1:	C(CC[6a]O)(CNO)(SC)	C(C[6a]C[6a]2)(CCS)(OC)	C(CCS)(NCH)(O)	C(CC[6a]O)(CNO)(SC)	C(C[6a]C[6a]2)(CCS)(OC)	C(CCS)(NCH)(O)	119.3230	0.000	1	119.3230	0.000	1	119.3230	0.000	1	124.8023	5.369	67	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:2:	3:3:2:	C-3:C-3:O-2:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:O-2:	C(CC[6a]O)2(OH)	C(C[6a]C[6a]2)(CCO)(ONi)	C(C[6a]C[6a]2)(CCO)(ONi)	C(CC[6a]O)2(OH)	C(C[6a]C[6a]2)(CCO)(ONi)	C(C[6a]C[6a]2)(CCO)(ONi)	124.8630	0.235	2	124.8630	0.055	2	124.8630	0.055	2	124.8630	0.055	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	3:1:1:	C-3:C-3:S-2:	C-3:C-3:N-3:	C-3:Cl-1:Cl-1:	C(CCl2)(CCN)(SC)	C(CCS)(CSS)(NOO)	C(CCS)(Cl)2	C(CCl2)(CCN)(SC)	C(CCS)(CSS)(NOO)	C(CCS)(Cl)2	122.3600	0.000	1	122.3600	0.000	1	122.3600	0.000	1	122.3600	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	3:2:1:	C-3:C-3:C-2:	C[5]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(CC[6a]C[5])(COO)(CN)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCC)	C(CCC)(OC)(O)	C(CC[6a]C[5])(COO)(CN)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCC)	C(CCC)(OC)(O)	122.3430	0.000	1	122.3430	0.000	1	122.3430	0.000	1	122.2308	2.511	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	3:2:1:	C-3:C-3:C-2:	C[6a]-3:C-3:N-3:	C-3:O-2:O-1:	C(CC[6a]N)(COO)(CN)	C(C[6a]C[6a]2)(CCC)(NCH)	C(CCC)(OC)(O)	C(CC[6a]N)(COO)(CN)	C(C[6a]C[6a]2)(CCC)(NCH)	C(CCC)(OC)(O)	123.4490	0.491	2	123.4490	0.241	2	123.4490	0.241	2	122.2308	2.511	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	3:2:1:	C-3:C-3:S-2:	C-3:C-3:N-3:	C-3:O-2:O-1:	C(CCN)(COO)(SC)	C(CCS)(COO)(NCN)	C(CCS)(OC)(O)	C(CCN)(COO)(SC)	C(CCS)(COO)(NCN)	C(CCS)(OC)(O)	122.7990	0.000	1	122.7990	0.000	1	122.7990	0.000	1	122.2308	2.511	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	3:2:1:	C-3:C-3:S-2:	C[6a]-3:N-3:C-3:	C-3:O-2:O-1:	C(CC[6a]N)(COO)(SC)	C(C[6a]C[6a]2)(NC[6a]H)(CCS)	C(CCS)(OC)(O)	C(CC[6a]N)(COO)(SC)	C(C[6a]C[6a]2)(NC[6a]H)(CCS)	C(CCS)(OC)(O)	119.8630	0.386	3	119.8630	0.149	3	119.8630	0.149	3	122.2308	2.511	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	3:2:1:	C-3:C-3:S-2:	S-3:C-3:C-3:	C-3:O-2:O-1:	C(CCS)(COO)(SMo)	C(SMo2)(CCS)(COO)	C(CCS)(OC)(O)	C(CCS)(COO)(SMo)	C(SMo2)(CCS)(COO)	C(CCS)(OC)(O)	123.3630	0.766	3	123.3630	0.586	3	123.0280	0.946	5	122.2308	2.511	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	3:2:1:	C-3:C-3:S-2:	S-3:C-3:C-3:	C-3:O-2:O-1:	C(CCS)(COO)(SRh)	C(SRhC)(CCS)(COO)	C(CCS)(OC)(O)	C(CCS)(COO)(SRh)	C(SRhC)(CCS)(COO)	C(CCS)(OC)(O)	122.5255	1.330	2	122.5255	1.769	2	123.0280	0.946	5	122.2308	2.511	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	3:2:2:	C-3:C-3:C-2:	C-3:C-3:C-3:	C-3:C-2:C-2:	C(CCC)2(CN)	C(CC[6a]C)(CCC)(CHS)	C(CCC)(CN)2	C(CCC)2(CN)	C(CC[6a]C)(CCC)(CHS)	C(CCC)(CN)2	125.1850	0.000	1	125.1850	0.000	1	125.1850	0.000	1	122.1087	8.965	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	3:2:2:	C-3:C-3:C-2:	C[6a]-3:C-3:C-3:	C-3:C-2:C-2:	C(CC[6a]C)(CCC)(CC)	C(C[6a]C[6a]2)(CCC)2	C(CCC)(CN)2	C(CC[6a]C)(CCC)(CC)	C(C[6a]C[6a]2)(CCC)2	C(CCC)(CN)2	119.2040	0.000	1	119.2040	0.000	1	120.5705	3.735	2	122.1087	8.965	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	3:2:2:	C-3:C-3:C-2:	C[6a]-3:C-3:C-3:	C-3:C-2:C-2:	C(CC[6a]C)(CCC)(CN)	C(C[6a]C[6a]2)(CCC)2	C(CCC)(CN)2	C(CC[6a]C)(CCC)(CN)	C(C[6a]C[6a]2)(CCC)2	C(CCC)(CN)2	121.9370	0.000	1	121.9370	0.000	1	120.5705	3.735	2	122.1087	8.965	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	3:3:1:	C-3:C-3:C-2:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(CN)	C(C[6a]C[6a]2)(CCC)2	C(CCC)(CCH)(H)	C(CC[6a]C)(CCH)(CN)	C(C[6a]C[6a]2)(CCC)2	C(CCC)(CCH)(H)	123.1310	0.000	1	123.1310	0.000	1	123.8850	1.137	2	125.2437	9.323	36	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	3:3:1:	C-3:C-3:C-2:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(CN)	C(C[6a]C[6a]2)(CCC)2	C(CC[6a]C)(CCC)(H)	C(CC[6a]C)(CCH)(CN)	C(C[6a]C[6a]2)(CCC)2	C(CC[6a]C)(CCC)(H)	124.6390	0.000	1	124.6390	0.000	1	123.8850	1.137	2	125.2437	9.323	36	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	3:3:1:	C-3:C-3:C-2:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]C)(CC[6a]H)(CC)	C(C[6a]C[6a]2)(CCC)(CCH)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]C)(CC[6a]H)(CC)	C(C[6a]C[6a]2)(CCC)(CCH)	C(C[6a]C[6a]2)(CCC)(H)	120.8107	0.451	8	120.8107	0.203	8	120.8107	0.203	8	125.2437	9.323	36	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	3:3:1:	C-3:C-3:N-2:	C-3:C-3:N-3:	C-3:C-3:H-1:	C(CCH)(CCN)(NC)	C(CCH)(CCN)(NCH)	C(CCH)(CCN)(H)	C(CCH)(CCN)(NC)	C(CCH)(CCN)(NCH)	C(CCH)(CCN)(H)	122.0360	0.173	2	122.0360	0.030	2	122.6520	1.153	3	125.2437	9.323	36	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	3:3:1:	C-3:C-3:N-2:	C-3:C-3:N-3:	C-3:C-3:H-1:	C(CCH)(CCN)(NS)	C(CCH)(CCN)(NCH)	C(CCH)(CCN)(H)	C(CCH)(CCN)(NS)	C(CCH)(CCN)(NCH)	C(CCH)(CCN)(H)	123.8840	0.000	1	123.8840	0.000	1	122.6520	1.153	3	125.2437	9.323	36	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(OC)	C(CC[6a]O)(CCH)(CCO)	C(CCH)(CCO)(H)	C(CCC)(CCH)(OC)	C(CC[6a]O)(CCH)(CCO)	C(CCH)(CCO)(H)	129.4850	0.000	1	129.4850	0.000	1	128.3210	0.535	5	125.2437	9.323	36	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(OC)	C(CC[6a]Re)(CCO)(COO)	C(CReO)(CCO)(H)	C(CCC)(CCH)(OC)	C(CC[6a]Re)(CCO)(COO)	C(CReO)(CCO)(H)	127.7605	0.312	2	127.7605	0.097	2	128.3210	0.535	5	125.2437	9.323	36	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(OH)	C(CC[6a]O)(CCO)2	C(CClC)(CCO)(H)	C(CCC)(CCH)(OH)	C(CC[6a]O)(CCO)2	C(CClC)(CCO)(H)	128.2995	0.245	2	128.2995	0.060	2	128.3210	0.535	5	125.2437	9.323	36	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	3:3:1:	C-3:C-3:O-2:	C-3:C-3:C-3:	C-3:C-3:O-1:	C(CCC)(CCO)(OH)	C(CCC)(CCO)(COO)	C(CCO)2(O)	C(CCC)(CCO)(OH)	C(CCC)(CCO)(COO)	C(CCO)2(O)	129.4910	0.000	1	129.4910	0.000	1	129.4910	0.000	1	125.2437	9.323	36	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	3:3:1:	C-3:C-3:O-2:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(OC)	C(C[6a]C[6a]2)(CCO)2	C(CC[6a]C)(CCO)(H)	C(CC[6a]C)(CCH)(OC)	C(C[6a]C[6a]2)(CCO)2	C(CC[6a]C)(CCO)(H)	128.0750	0.000	1	128.0750	0.000	1	127.5505	0.550	2	125.2437	9.323	36	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	3:3:1:	C-3:C-3:O-2:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(OH)	C(C[6a]C[6a]2)(CC[6a]O)(CCO)	C(CCH)(CCO)(H)	C(CC[6a]C)(CCH)(OH)	C(C[6a]C[6a]2)(CC[6a]O)(CCO)	C(CCH)(CCO)(H)	127.0260	0.000	1	127.0260	0.000	1	127.5505	0.550	2	125.2437	9.323	36	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	3:3:1:	C-3:C-3:O-2:	C[6a]-3:C-3:C-3:	C-3:N-3:O-1:	C(CC[6a]C)(CNO)(OC)	C(C[6a]C[6a]2)(CCH)(CCO)	C(CCO)(NCC)(O)	C(CC[6a]C)(CNO)(OC)	C(C[6a]C[6a]2)(CCH)(CCO)	C(CCO)(NCC)(O)	122.9570	0.000	1	122.9570	0.000	1	122.9570	0.000	1	125.2437	9.323	36	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	3:3:1:	C-3:C-3:O-2:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(OAl)	C(NAlC)(CCH)(CCO)	C(CCH)(CCO)(H)	C(CCH)(CCN)(OAl)	C(NAlC)(CCH)(CCO)	C(CCH)(CCO)(H)	127.9607	0.708	3	127.9607	0.501	3	126.9578	1.176	14	125.2437	9.323	36	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	3:3:1:	C-3:C-3:O-2:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(OCu)	C(NCuC)(CCH)(CCO)	C(CCH)(CCO)(H)	C(CCH)(CCN)(OCu)	C(NCuC)(CCH)(CCO)	C(CCH)(CCO)(H)	126.1156	0.735	5	126.1156	0.541	5	126.9578	1.176	14	125.2437	9.323	36	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	3:3:1:	C-3:C-3:O-2:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(ONi)	C(NC[6a]Ni)(CCH)(CCO)	C(CCH)(CCO)(H)	C(CCH)(CCN)(ONi)	C(NC[6a]Ni)(CCH)(CCO)	C(CCH)(CCO)(H)	126.4695	0.030	2	126.4695	0.001	2	126.9578	1.176	14	125.2437	9.323	36	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	3:3:1:	C-3:C-3:O-2:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(OPd)	C(NPdC)(CCH)(CCO)	C(CCH)(CCO)(H)	C(CCH)(CCN)(OPd)	C(NPdC)(CCH)(CCO)	C(CCH)(CCO)(H)	126.9685	0.627	2	126.9685	0.393	2	126.9578	1.176	14	125.2437	9.323	36	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	3:3:1:	C-3:C-3:O-2:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(OSn)	C(NSnC)(CCH)(CCO)	C(CCH)(CCO)(H)	C(CCH)(CCN)(OSn)	C(NSnC)(CCH)(CCO)	C(CCH)(CCO)(H)	128.0365	1.538	2	128.0365	2.365	2	126.9578	1.176	14	125.2437	9.323	36	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	3:3:3:	C-3:C-3:C-2:	C[6a]-3:C-3:C-3:	C-3:C-3:C-3:	C(CC[6a]C)(CCC)(CN)	C(C[6a]C[6a]2)(CCC)2	C(CC[6a]C)(CCC)2	C(CC[6a]C)(CCC)(CN)	C(C[6a]C[6a]2)(CCC)2	C(CC[6a]C)(CCC)2	123.4063	0.852	3	123.4063	0.726	3	123.4063	0.726	3	125.9056	7.550	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	3:3:3:	C-3:C-3:C-2:	C[6a]-3:C-3:C-3:	C-3:C-3:N-3:	C(CC[6a]C)(CCN)(CN)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CCC)2(NHH)	C(CC[6a]C)(CCN)(CN)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CCC)2(NHH)	123.6630	0.000	1	123.6630	0.000	1	123.6630	0.000	1	125.9056	7.550	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	3:3:3:	C-3:C-3:C-2:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)2(CN)	C(C[6a]C[6a]2)(CCC)(CCH)	C(C[6a]C[6a]2)(CCC)2	C(CC[6a]C)2(CN)	C(C[6a]C[6a]2)(CCC)(CCH)	C(C[6a]C[6a]2)(CCC)2	126.5760	1.121	3	126.5760	1.257	3	126.5760	1.257	3	125.9056	7.550	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	3:3:3:	C-3:C-3:O-2:	C[6a]-3:C-3:C-3:	C-3:C-3:C-3:	C(CC[6a]C)(CCC)(OH)	C(C[6a]C[6a]2)(CCO)2	C(CCO)3	C(CC[6a]C)(CCC)(OH)	C(C[6a]C[6a]2)(CCO)2	C(CCO)3	128.9190	0.000	1	128.9190	0.000	1	128.9190	0.000	1	125.9056	7.550	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	3:3:3:	C-3:C-3:O-2:	N-3:C-3:N-3:	N-3:C-3:N-3:	C(CNN)2(OH)	C(NC[6a]2)(CCO)(NCC)	C(NC[6a]2)(CCO)(NCC)	C(CNN)2(OH)	C(NC[6a]2)(CCO)(NCC)	C(NC[6a]2)(CCO)(NCC)	130.6210	0.000	1	130.6210	0.000	1	130.6210	0.000	1	125.9056	7.550	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	4:3:1:	C-3:C-3:N-2:	C-3:C-3:N-3:	C-4:C-3:O-1:	C(CCN)(CCO)(NN)	C(CCN)(CHN)(NCC)	C(CH3)(CCN)(O)	C(CCN)(CCO)(NN)	C(CCN)(CHN)(NCC)	C(CH3)(CCN)(O)	118.1510	0.000	1	118.1510	0.000	1	118.1510	0.000	1	118.1510	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	4:3:2:	C-3:C-3:S-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:N-2:	C(CC[6a]2)(CCN)(SC)	C(C[6a]C[6a]2)2(CCS)	C(CCHH)(CCS)(NO)	C(CC[6a]2)(CCN)(SC)	C(C[6a]C[6a]2)2(CCS)	C(CCHH)(CCS)(NO)	124.8840	0.000	1	124.8840	0.000	1	124.8840	0.000	1	124.8840	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	4:3:3:	C-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(CC[6a]2)(CCC)(OB)	C(C[6a]C[6a]2)2(CCO)	C(CCHH)(CCC)(CCO)	C(CC[6a]2)(CCC)(OB)	C(C[6a]C[6a]2)2(CCO)	C(CCHH)(CCC)(CCO)	127.0100	0.000	1	127.0100	0.000	1	127.7673	0.432	3	127.7673	0.432	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:3:3:	4:3:3:	C-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:C-3:	C(CC[6a]2)(CCC)(OB)	C(C[6a]C[6a]2)2(CCO)	C(CH3)(CCC)(CCO)	C(CC[6a]2)(CCC)(OB)	C(C[6a]C[6a]2)2(CCO)	C(CH3)(CCC)(CCO)	128.1460	0.062	2	128.1460	0.004	2	127.7673	0.432	3	127.7673	0.432	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:4:3:	2:4:3:	C-3:C-3:C-2:	N-3:C-4:C-3:	N-2:C-4:C-3:	C(CCN)2(CN)	C(NC[6a]H)(CH3)(CCC)	C(NC[6a])(CH3)(CCC)	C(CCN)2(CN)	C(NC[6a]H)(CH3)(CCC)	C(NC[6a])(CH3)(CCC)	124.9411	0.308	7	124.9411	0.095	7	124.9411	0.095	7	124.9411	0.095	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:4:3:	3:1:1:	C-3:C-3:O-2:	C-3:C-4:C-3:	C-3:H-1:H-1:	C(CCC)(CHH)(OC)	C(CC[6a]H)(CCHH)(CCO)	C(CCO)(H)2	C(CCC)(CHH)(OC)	C(CC[6a]H)(CCHH)(CCO)	C(CCO)(H)2	127.5660	0.000	1	127.5660	0.000	1	127.8350	0.145	2	127.8350	0.145	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:4:3:	3:1:1:	C-3:C-3:O-2:	C-3:C-4:C-3:	C-3:H-1:H-1:	C(CCC)(CHH)(OS)	C(CC[6a]H)(CH3)(CCO)	C(CCO)(H)2	C(CCC)(CHH)(OS)	C(CC[6a]H)(CH3)(CCO)	C(CCO)(H)2	128.1040	0.000	1	128.1040	0.000	1	127.8350	0.145	2	127.8350	0.145	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:4:3:	3:2:1:	C-3:C-3:C-2:	N[6]-3:C-4:C-3:	C-3:O-2:O-1:	C(CN[6]C)(COO)(CN)	C(N[6]C[6]2)(CCHH)(CCC)	C(CCC)(OC)(O)	C(CN[6]C)(COO)(CN)	C(N[6]C[6]2)(CCHH)(CCC)	C(CCC)(OC)(O)	122.2378	0.285	4	122.2378	0.081	4	122.2378	0.081	4	122.2378	0.081	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:4:3:	3:3:1:	C-3:C-3:O-2:	C-3:C-4:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(OC)	C(CC[6a]H)(CH3)(CCO)	C(CCO)(CNO)(H)	C(CCC)(CCH)(OC)	C(CC[6a]H)(CH3)(CCO)	C(CCO)(CNO)(H)	125.8340	0.000	1	125.8340	0.000	1	125.8340	0.000	1	126.6501	7.686	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:4:3:	3:3:1:	C-3:C-3:O-2:	C[6a]-3:C-4:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(OC)	C(C[6a]C[6a]2)(CCHH)(CCO)	C(CCH)(CCO)(H)	C(CC[6a]C)(CCH)(OC)	C(C[6a]C[6a]2)(CCHH)(CCO)	C(CCH)(CCO)(H)	130.6510	0.000	1	130.6510	0.000	1	127.8240	3.674	4	126.6501	7.686	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:4:3:	3:3:1:	C-3:C-3:O-2:	C[6a]-3:C-4:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(OC)	C(C[6a]C[6a]2)(CHHN)(CCO)	C(CCH)(CCO)(H)	C(CC[6a]C)(CCH)(OC)	C(C[6a]C[6a]2)(CHHN)(CCO)	C(CCH)(CCO)(H)	126.8817	0.428	3	126.8817	0.184	3	127.8240	3.674	4	126.6501	7.686	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:4:3:	3:3:1:	C-3:C-3:O-2:	C[6a]-3:C-4:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]C)(CC[6a]O)(OC)	C(C[6a]C[6a]N[6a])(CH3)(CCO)	C(C[6a]C[6a]2)(CCO)(O)	C(CC[6a]C)(CC[6a]O)(OC)	C(C[6a]C[6a]N[6a])(CH3)(CCO)	C(C[6a]C[6a]2)(CCO)(O)	127.9810	0.000	1	127.9810	0.000	1	127.9810	0.000	1	126.6501	7.686	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:4:3:	3:3:1:	C-3:C-3:S-2:	C[6a]-3:C-4:C-3:	N[5]-3:C-3:O-1:	C(CC[6a]C)(CN[5]O)(SC[6a])	C(C[6a]C[6a]2)(CH3)(CCS)	C(N[5]C[5]2)(CCS)(O)	C(CC[6a]C)(CN[5]O)(SC[6a])	C(C[6a]C[6a]2)(CH3)(CCS)	C(N[5]C[5]2)(CCS)(O)	121.4400	0.000	1	121.4400	0.000	1	121.4400	0.000	1	126.6501	7.686	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:4:3:	3:3:2:	C-3:C-3:C-2:	N-3:C-4:C-3:	C-3:C-3:O-2:	C(CCN)(CCO)(CN)	C(NC[6a]Ni)(CH3)(CCC)	C(CCC)(CHH)(ONi)	C(CCN)(CCO)(CN)	C(NC[6a]Ni)(CH3)(CCC)	C(CCC)(CHH)(ONi)	125.3740	0.000	1	125.3740	0.000	1	125.3740	0.000	1	125.3740	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:4:3:	3:3:3:	C-3:C-3:O-2:	C-3:C-4:C-3:	C-3:C-3:C-3:	C(CCC)2(OH)	C(CC[6,6]H)(CCCH)(CCO)	C(CC[6,6]O)(CCO)2	C(CCC)2(OH)	C(CC[6,6]H)(CCCH)(CCO)	C(CC[6,6]O)(CCO)2	128.2210	0.000	1	128.2210	0.000	1	127.5680	0.853	2	127.5680	0.853	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:4:3:	3:3:3:	C-3:C-3:O-2:	C-3:C-4:C-3:	C-3:C-3:C-3:	C(CCC)2(OH)	C(CC[6]H)(CCCH)(CCO)	C(CC[6]O)(CCO)2	C(CCC)2(OH)	C(CC[6]H)(CCCH)(CCO)	C(CC[6]O)(CCO)2	126.9150	0.000	1	126.9150	0.000	1	127.5680	0.853	2	127.5680	0.853	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:4:3:	3:4:3:	C-3:C-3:C-2:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(CN)	C(NIrH)(CH3)(CCC)	C(NIrH)(CH3)(CCC)	C(CCN)2(CN)	C(NIrH)(CH3)(CCC)	C(NIrH)(CH3)(CCC)	125.7030	0.000	1	125.7030	0.000	1	126.1940	0.482	2	126.1940	0.482	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:4:3:	3:4:3:	C-3:C-3:C-2:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(CN)	C(NZnH)(CH3)(CCC)	C(NZnH)(CH3)(CCC)	C(CCN)2(CN)	C(NZnH)(CH3)(CCC)	C(NZnH)(CH3)(CCC)	126.6850	0.000	1	126.6850	0.000	1	126.1940	0.482	2	126.1940	0.482	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:4:3:	4:3:2:	C-3:C-3:C-2:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)(CN)	C(NC[6a]Ni)(CH3)(CCC)	C(CH3)(CCC)(ONi)	C(CCN)(CCO)(CN)	C(NC[6a]Ni)(CH3)(CCC)	C(CH3)(CCC)(ONi)	123.5600	0.000	1	123.5600	0.000	1	123.5600	0.000	1	123.5600	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	3:4:3:	4:3:3:	C-3:C-3:C-2:	C[6a]-3:C-4:C-3:	C-4:C-3:C-3:	C(CC[6a]C)(CCC)(CC)	C(C[6a]C[6a]2)(CHHN)(CCC)	C(CCHH)(CCC)(CCH)	C(CC[6a]C)(CCC)(CC)	C(C[6a]C[6a]2)(CHHN)(CCC)	C(CCHH)(CCC)(CCH)	125.3990	0.000	1	125.3990	0.000	1	125.3990	0.000	1	125.3990	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:1:	3:1:1:	C-3:C-3:C-2:	C-4:C-3:N-1:	C-3:H-1:O-1:	C(CCN)(CHO)(CN)	C(CC[6a]CH)(CCC)(N)	C(CCC)(H)(O)	C(CCN)(CHO)(CN)	C(CC[6a]CH)(CCC)(N)	C(CCC)(H)(O)	122.4500	0.264	2	122.4500	0.070	2	122.4500	0.070	2	120.8183	3.619	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:1:	3:1:1:	C-3:C-3:N-2:	C-4:C-3:O-1:	C-3:H-1:O-1:	C(CCO)(CHO)(NN)	C(CF3)(CCN)(O)	C(CCN)(H)(O)	C(CCO)(CHO)(NN)	C(CF3)(CCN)(O)	C(CCN)(H)(O)	119.1865	0.370	2	119.1865	0.137	2	119.1865	0.137	2	120.8183	3.619	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:1:	3:2:1:	C-3:C-3:N-2:	C-4:C-3:O-1:	C-3:O-2:O-1:	C(CCO)(COO)(NN)	C(CCHH)(CCN)(O)	C(CCN)(OC)(O)	C(CCO)(COO)(NN)	C(CCHH)(CCN)(O)	C(CCN)(OC)(O)	129.1555	1.595	2	129.1555	2.543	2	122.5260	7.976	36	122.3133	7.930	41	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:1:	3:2:1:	C-3:C-3:N-2:	C-4:C-3:O-1:	C-3:O-2:O-1:	C(CCO)(COO)(NN)	C(CClHH)(CCN)(O)	C(CCN)(OC)(O)	C(CCO)(COO)(NN)	C(CClHH)(CCN)(O)	C(CCN)(OC)(O)	123.8107	0.780	13	123.8107	0.608	13	122.5260	7.976	36	122.3133	7.930	41	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:1:	3:2:1:	C-3:C-3:N-2:	C-4:C-3:O-1:	C-3:O-2:O-1:	C(CCO)(COO)(NN)	C(CH3)(CCN)(O)	C(CCN)(OC)(O)	C(CCO)(COO)(NN)	C(CH3)(CCN)(O)	C(CCN)(OC)(O)	122.8096	1.338	11	122.8096	1.791	11	122.5260	7.976	36	122.3133	7.930	41	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:1:	3:2:1:	C-3:C-3:N-2:	C-4:C-3:O-1:	C-3:O-2:O-1:	C(CCO)(COO)(NN)	C(CH3)(CCN)(O)	C(CCN)(OH)(O)	C(CCO)(COO)(NN)	C(CH3)(CCN)(O)	C(CCN)(OH)(O)	121.2700	0.574	4	121.2700	0.329	4	122.5260	7.976	36	122.3133	7.930	41	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:1:	3:2:1:	C-3:C-3:N-2:	C-4:C-3:O-1:	C-3:O-2:O-1:	C(CCO)(COO)(NO)	C(CC[5]HH)(CCN)(O)	C(CCN)(OC)(O)	C(CCO)(COO)(NO)	C(CC[5]HH)(CCN)(O)	C(CCN)(OC)(O)	116.8250	0.000	1	116.8250	0.000	1	122.5260	7.976	36	122.3133	7.930	41	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:1:	3:2:1:	C-3:C-3:N-2:	C-4:C-3:O-1:	C-3:O-2:O-1:	C(CCO)(COO)(NO)	C(CC[6]HH)(CCN)(O)	C(CCN)(OC)(O)	C(CCO)(COO)(NO)	C(CC[6]HH)(CCN)(O)	C(CCN)(OC)(O)	118.5195	0.129	2	118.5195	0.017	2	122.5260	7.976	36	122.3133	7.930	41	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:1:	3:2:1:	C-3:C-3:N-2:	C-4:C-3:O-1:	C-3:O-2:O-1:	C(CCO)(COO)(NO)	C(CH3)(CCN)(O)	C(CCN)(OC)(O)	C(CCO)(COO)(NO)	C(CH3)(CCN)(O)	C(CCN)(OC)(O)	118.0790	0.064	2	118.0790	0.004	2	122.5260	7.976	36	122.3133	7.930	41	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:1:	3:2:1:	C-3:C-3:N-2:	C-4:C-3:O-1:	C-3:O-2:O-1:	C(CCO)(COO)(NO)	C(CHHS)(CCN)(O)	C(CCN)(OC)(O)	C(CCO)(COO)(NO)	C(CHHS)(CCN)(O)	C(CCN)(OC)(O)	117.0780	0.000	1	117.0780	0.000	1	122.5260	7.976	36	122.3133	7.930	41	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:1:	3:2:1:	C-3:C-3:O-2:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(OC)	C(CC[5]HH)(CCO)(H)	C(CCO)(OC)(O)	C(CCH)(COO)(OC)	C(CC[5]HH)(CCO)(H)	C(CCO)(OC)(O)	121.9070	0.000	1	121.9070	0.000	1	120.7820	6.170	5	122.3133	7.930	41	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:1:	3:2:1:	C-3:C-3:O-2:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(OC)	C(CC[6a]CH)(CCO)(H)	C(CCO)(OC)(O)	C(CCH)(COO)(OC)	C(CC[6a]CH)(CCO)(H)	C(CCO)(OC)(O)	121.8123	1.108	3	121.8123	1.228	3	120.7820	6.170	5	122.3133	7.930	41	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:1:	3:2:1:	C-3:C-3:O-2:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(OPd)	C(CC[6a]HP)(CCO)(H)	C(CCO)(OC)(O)	C(CCH)(COO)(OPd)	C(CC[6a]HP)(CCO)(H)	C(CCO)(OC)(O)	116.5660	0.000	1	116.5660	0.000	1	120.7820	6.170	5	122.3133	7.930	41	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:1:	3:3:1:	C-3:C-3:C-2:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(CC)	C(CC[6a]HO)(CCC)(H)	C(CC[6a]H)(CCC)(H)	C(CCH)2(CC)	C(CC[6a]HO)(CCC)(H)	C(CC[6a]H)(CCC)(H)	119.7470	0.000	1	119.7470	0.000	1	119.7470	0.000	1	123.9458	8.021	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:1:	3:3:1:	C-3:C-3:O-2:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(OC)	C(CC[6a]CH)(CCO)(H)	C(CCH)(CCO)(H)	C(CCH)2(OC)	C(CC[6a]CH)(CCO)(H)	C(CCH)(CCO)(H)	124.8570	0.000	1	124.8570	0.000	1	124.8570	0.000	1	123.9458	8.021	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:1:	3:3:1:	C-3:C-3:O-2:	C-4:C-3:O-1:	C-3:C-3:H-1:	C(CCH)(CCO)(OC)	C(CC[5]HH)(CCO)(O)	C(CN[5]O)(CCO)(H)	C(CCH)(CCO)(OC)	C(CC[5]HH)(CCO)(O)	C(CN[5]O)(CCO)(H)	125.5895	0.445	2	125.5895	0.198	2	125.5895	0.198	2	123.9458	8.021	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:1:	3:3:3:	C-3:C-3:O-2:	P-4:C-3:H-1:	C-3:C-3:C-3:	C(CCC)(CHP)(OH)	C(PC[6a]3)(CCO)(H)	C(CCO)2(COO)	C(CCC)(CHP)(OH)	C(PC[6a]3)(CCO)(H)	C(CCO)2(COO)	126.2730	1.212	2	126.2730	1.469	2	126.2730	1.469	2	126.2730	1.469	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:1:	4:3:1:	C-3:C-3:N-2:	C-4:C-3:O-1:	C-4:C-3:O-1:	C(CCO)2(NN)	C(CF3)(CCN)(O)	C(CF3)(CCN)(O)	C(CCO)2(NN)	C(CF3)(CCN)(O)	C(CF3)(CCN)(O)	124.2640	0.000	1	124.2640	0.000	1	122.9408	0.591	10	123.7041	2.187	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:1:	4:3:1:	C-3:C-3:N-2:	C-4:C-3:O-1:	C-4:C-3:O-1:	C(CCO)2(NN)	C(CF3)(CCN)(O)	C(CH3)(CCN)(O)	C(CCO)2(NN)	C(CF3)(CCN)(O)	C(CH3)(CCN)(O)	122.1730	0.000	1	122.1730	0.000	1	122.9408	0.591	10	123.7041	2.187	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:1:	4:3:1:	C-3:C-3:N-2:	C-4:C-3:O-1:	C-4:C-3:O-1:	C(CCO)2(NN)	C(CH3)(CCN)(O)	C(CH3)(CCN)(O)	C(CCO)2(NN)	C(CH3)(CCN)(O)	C(CH3)(CCN)(O)	122.8714	0.648	8	122.8714	0.420	8	122.9408	0.591	10	123.7041	2.187	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:1:	4:3:1:	C-3:C-3:O-2:	C-4:C-3:H-1:	C-4:C-3:O-1:	C(CCH)(CCO)(OC)	C(CCCH)(CCO)(H)	C(CCHH)(CCO)(O)	C(CCH)(CCO)(OC)	C(CCCH)(CCO)(H)	C(CCHH)(CCO)(O)	124.2590	0.000	1	124.2590	0.000	1	125.0750	1.332	2	123.7041	2.187	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:1:	4:3:1:	C-3:C-3:O-2:	C-4:C-3:H-1:	C-4:C-3:O-1:	C(CCH)(CCO)(OC)	C(CC[5]CH)(CCO)(H)	C(CC[5]HH)(CCO)(O)	C(CCH)(CCO)(OC)	C(CC[5]CH)(CCO)(H)	C(CC[5]HH)(CCO)(O)	125.8910	0.000	1	125.8910	0.000	1	125.0750	1.332	2	123.7041	2.187	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:1:	4:3:1:	C-3:C-3:O-2:	C[6]-4:C-3:H-1:	C-4:C-3:O-1:	C(CC[6]H)(CCO)(OH)	C(C[6]C[6,6]C[6]H)(CCO)(H)	C(CH3)(CCO)(O)	C(CC[6]H)(CCO)(OH)	C(C[6]C[6,6]C[6]H)(CCO)(H)	C(CH3)(CCO)(O)	125.8050	0.000	1	125.8050	0.000	1	125.8050	0.000	1	123.7041	2.187	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:1:	4:3:1:	C-3:C-3:O-2:	C[6]-4:C-3:H-1:	C[6]-4:C-3:O-1:	C(CC[6]H)(CC[6]O)(OC)	C(C[6]C[6]2H)(CCO)(H)	C(C[6]C[6]2H)(CCO)(O)	C(CC[6]H)(CC[6]O)(OC)	C(C[6]C[6]2H)(CCO)(H)	C(C[6]C[6]2H)(CCO)(O)	126.4950	0.000	1	126.4950	0.000	1	126.4950	0.000	1	123.7041	2.187	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:2:	3:1:1:	C-3:C-3:N-2:	C-4:C-3:N-2:	C-3:H-1:H-1:	C(CCN)(CHH)(NO)	C(CH3)(CCN)(NO)	C(CCN)(H)2	C(CCN)(CHH)(NO)	C(CH3)(CCN)(NO)	C(CCN)(H)2	119.9110	0.000	1	119.9110	0.000	1	119.9110	0.000	1	119.9110	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:2:	3:2:1:	C-3:C-3:C-2:	C-4:C-3:N-2:	C-3:N-2:H-1:	C(CCN)(CHN)(CN)	C(CH3)(CCC)(NN)	C(CCC)(NN)(H)	C(CCN)(CHN)(CN)	C(CH3)(CCC)(NN)	C(CCC)(NN)(H)	124.7130	0.000	1	124.7130	0.000	1	124.7130	0.000	1	122.5943	7.469	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:2:	3:2:1:	C-3:C-3:N-2:	C-4:C-3:N-2:	C-3:O-2:O-1:	C(CCN)(COO)(NO)	C(CH3)(CCN)(NN)	C(CCN)(OC)(O)	C(CCN)(COO)(NO)	C(CH3)(CCN)(NN)	C(CCN)(OC)(O)	118.6650	0.000	1	118.6650	0.000	1	118.6650	0.000	1	122.5943	7.469	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:2:	3:2:1:	C-3:C-3:N-2:	C-4:C-3:O-2:	C-3:O-2:O-1:	C(CCO)(COO)(NN)	C(CH3)(CCN)(OCu)	C(CCN)(OC)(O)	C(CCO)(COO)(NN)	C(CH3)(CCN)(OCu)	C(CCN)(OC)(O)	123.4995	0.917	2	123.4995	0.841	2	123.4995	0.841	2	122.5943	7.469	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:2:	3:3:1:	C-3:C-3:O-2:	C-4:C-3:O-2:	C-3:N-3:O-1:	C(CCO)(CNO)(OC)	C(CH3)(CCO)(OC)	C(CCO)(NCH)(O)	C(CCO)(CNO)(OC)	C(CH3)(CCO)(OC)	C(CCO)(NCH)(O)	126.0150	0.000	1	126.0150	0.000	1	126.0150	0.000	1	123.9270	8.719	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:2:	3:3:1:	C-3:C-3:S-2:	C[3]-4:C-3:O-2:	C-3:N-3:O-1:	C(CC[3]O)(CNO)(SC)	C(C[3]C[3]2H)(CCS)(OC)	C(CCS)(NCH)(O)	C(CC[3]O)(CNO)(SC)	C(C[3]C[3]2H)(CCS)(OC)	C(CCS)(NCH)(O)	121.8390	0.000	1	121.8390	0.000	1	121.8390	0.000	1	123.9270	8.719	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:2:	3:3:2:	C-3:C-3:C-2:	C-4:C-3:O-2:	C-3:C-3:C-2:	C(CCC)(CCO)(CN)	C(CCHH)(CCC)(OC)	C(CCC)(CCH)(CN)	C(CCC)(CCO)(CN)	C(CCHH)(CCC)(OC)	C(CCC)(CCH)(CN)	127.5340	0.000	1	127.5340	0.000	1	127.5340	0.000	1	127.5340	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:2:	4:3:1:	C-3:C-3:N-2:	C-4:C-3:O-2:	C-4:C-3:O-1:	C(CCO)2(NN)	C(CH3)(CCN)(OCu)	C(CH3)(CCN)(O)	C(CCO)2(NN)	C(CH3)(CCN)(OCu)	C(CH3)(CCN)(O)	123.1443	1.140	3	123.1443	1.300	3	123.1690	0.869	4	122.3080	2.300	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:2:	4:3:1:	C-3:C-3:N-2:	C-4:C-3:O-2:	C-4:C-3:O-1:	C(CCO)2(NN)	C(CH3)(CCN)(OZn)	C(CH3)(CCN)(O)	C(CCO)2(NN)	C(CH3)(CCN)(OZn)	C(CH3)(CCN)(O)	123.2430	0.000	1	123.2430	0.000	1	123.1690	0.869	4	122.3080	2.300	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:2:	4:3:1:	C-3:C-3:S-2:	C-4:C-3:O-2:	C-4:C-3:O-1:	C(CCO)2(SC)	C(CH3)(CCS)(OH)	C(CH3)(CCS)(O)	C(CCO)2(SC)	C(CH3)(CCS)(OH)	C(CH3)(CCS)(O)	120.5860	0.000	2	120.5860	0.000	2	120.5860	0.000	2	122.3080	2.300	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:2:	4:3:2:	C-3:C-3:C-2:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(CC)	C(CH3)(CCC)(ORu)	C(CH3)(CCC)(ORu)	C(CCO)2(CC)	C(CH3)(CCC)(ORu)	C(CH3)(CCC)(ORu)	125.0160	0.407	2	125.0160	0.166	2	124.3451	0.712	13	124.3451	0.712	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:2:	4:3:2:	C-3:C-3:C-2:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(CN)	C(CH3)(CCC)(OCr)	C(CH3)(CCC)(OCr)	C(CCO)2(CN)	C(CH3)(CCC)(OCr)	C(CH3)(CCC)(OCr)	123.9599	0.589	9	123.9599	0.347	9	124.3451	0.712	13	124.3451	0.712	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:2:	4:3:2:	C-3:C-3:C-2:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(CN)	C(CH3)(CCC)(OMg)	C(CH3)(CCC)(OMg)	C(CCO)2(CN)	C(CH3)(CCC)(OMg)	C(CH3)(CCC)(OMg)	124.6630	0.000	1	124.6630	0.000	1	124.3451	0.712	13	124.3451	0.712	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:2:	4:3:2:	C-3:C-3:C-2:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(CN)	C(CH3)(CCC)(OPd)	C(CH3)(CCC)(OPd)	C(CCO)2(CN)	C(CH3)(CCC)(OPd)	C(CH3)(CCC)(OPd)	126.1520	0.000	1	126.1520	0.000	1	124.3451	0.712	13	124.3451	0.712	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:3:	3:2:1:	C-3:C-3:C-2:	C-4:C-3:N-3:	C-3:S-2:S-1:	C(CCN)(CSS)(CN)	C(CH3)(CCC)(NCH)	C(CCC)(SC)(S)	C(CCN)(CSS)(CN)	C(CH3)(CCC)(NCH)	C(CCC)(SC)(S)	126.5880	0.000	1	126.5880	0.000	1	126.5880	0.000	1	124.6077	6.676	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:3:	3:2:1:	C-3:C-3:N-2:	C-4:C-3:N-3:	C-3:O-2:O-1:	C(CCN)(COO)(NN)	C(CH3)(CCN)(NHH)	C(CCN)(OC)(O)	C(CCN)(COO)(NN)	C(CH3)(CCN)(NHH)	C(CCN)(OC)(O)	121.6850	0.000	1	121.6850	0.000	1	121.6850	0.000	1	124.6077	6.676	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:3:	3:2:1:	C-3:C-3:S-2:	C[5]-4:C-3:C-3:	C-3:O-2:O-1:	C(CC[5]C)(COO)(SC)	C(C[5]C[5]N[5]H)(CCS)(COO)	C(CCS)(OC)(O)	C(CC[5]C)(COO)(SC)	C(C[5]C[5]N[5]H)(CCS)(COO)	C(CCS)(OC)(O)	125.5500	0.000	1	125.5500	0.000	1	125.5500	0.000	1	124.6077	6.676	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:3:	3:2:2:	C-3:C-3:C-2:	C[5]-4:C-3:C-3:	C-3:C-2:C-2:	C(CC[5]C)(CCC)(CC)	C(C[5]C[5]2Fe)(CCC)2	C(CCC)(CN)2	C(CC[5]C)(CCC)(CC)	C(C[5]C[5]2Fe)(CCC)2	C(CCC)(CN)2	121.3160	0.000	1	121.3160	0.000	1	121.3160	0.000	1	121.3160	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:3:	3:3:1:	C-3:C-3:O-2:	C-4:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(OC)	C(CF3)(CCH)(CCO)	C(CCH)(CCO)(H)	C(CCC)(CCH)(OC)	C(CF3)(CCH)(CCO)	C(CCH)(CCO)(H)	123.9820	0.000	1	123.9820	0.000	1	123.9820	0.000	1	123.6738	0.068	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:3:	3:3:1:	C-3:C-3:O-2:	N-4:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCN)(OCu)	C(NCuCC)(CCH)(CCO)	C(CCH)(CCO)(H)	C(CCH)(CCN)(OCu)	C(NCuCC)(CCH)(CCO)	C(CCH)(CCO)(H)	123.7590	0.000	1	123.7590	0.000	1	123.7590	0.000	1	123.6738	0.068	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:3:	3:3:1:	C-3:C-3:O-2:	P-4:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCP)(OH)	C(PC[6a]3)(COsH)(CCO)	C(COsH)(CCO)(H)	C(CCH)(CCP)(OH)	C(PC[6a]3)(COsH)(CCO)	C(COsH)(CCO)(H)	123.4600	0.000	2	123.4600	0.000	2	123.4600	0.000	2	123.6738	0.068	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:3:	3:3:1:	C-3:C-3:O-2:	S-4:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCS)(OH)	C(SC[6a]OO)(CCH)(CCO)	C(CCC)(CCO)(H)	C(CCH)(CCS)(OH)	C(SC[6a]OO)(CCH)(CCO)	C(CCC)(CCO)(H)	123.4230	0.000	1	123.4230	0.000	1	123.6910	0.144	2	123.6738	0.068	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:3:	3:3:1:	C-3:C-3:O-2:	S-4:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCS)(OH)	C(SC[6a]OO)(CCH)(CCO)	C(CC[6a]C)(CCO)(H)	C(CCH)(CCS)(OH)	C(SC[6a]OO)(CCH)(CCO)	C(CC[6a]C)(CCO)(H)	123.9590	0.000	1	123.9590	0.000	1	123.6910	0.144	2	123.6738	0.068	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:3:	4:3:1:	C-3:C-3:N-2:	C-4:C-3:N-3:	C-4:C-3:O-1:	C(CCN)(CCO)(NN)	C(CH3)(CCN)(NHH)	C(CH3)(CCN)(O)	C(CCN)(CCO)(NN)	C(CH3)(CCN)(NHH)	C(CH3)(CCN)(O)	122.8640	0.000	1	122.8640	0.000	1	122.8640	0.000	1	123.0765	0.090	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:3:3:	4:3:1:	C-3:C-3:O-2:	C-4:N-3:C-3:	C-4:C-3:H-1:	C(CCH)(CCN)(ONi)	C(CCHH)(NNiO)(CCO)	C(CH3)(CCO)(H)	C(CCH)(CCN)(ONi)	C(CCHH)(NNiO)(CCO)	C(CH3)(CCO)(H)	123.2890	0.000	1	123.2890	0.000	1	123.2890	0.000	1	123.0765	0.090	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:2:	4:4:3:	3:3:1:	C-3:C-3:O-2:	C-4:C-4:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(OFe)	C(CH3)2(CCO)	C(CCO)2(H)	C(CCC)(CCH)(OFe)	C(CH3)2(CCO)	C(CCO)2(H)	124.1540	0.000	1	124.1540	0.000	1	124.1540	0.000	1	124.1540	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	2:3:1:	3:3:1:	C-3:C-3:C-3:	O-2:C-3:O-1:	C-3:C-3:O-1:	C(CC[5]H)(CCO)(COO)	C(ON[6])(CCC)(O)	C(CCC)(CHH)(O)	C(CC[5]H)(CCO)(COO)	C(ON[6])(CCC)(O)	C(CCC)(CHH)(O)	117.1260	0.000	1	117.1260	0.000	1	117.1260	0.000	1	121.1035	31.641	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	2:3:1:	3:3:1:	C-3:C-3:N-3:	S-2:C-3:Cl-1:	C-3:C-3:Cl-1:	C(CClC)(CClS)(NOO)	C(SC[6a])(CCN)(Cl)	C(CCl2)(CCN)(Cl)	C(CClC)(CClS)(NOO)	C(SC[6a])(CCN)(Cl)	C(CCl2)(CCN)(Cl)	125.0810	0.000	1	125.0810	0.000	1	125.0810	0.000	1	121.1035	31.641	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	2:3:1:	3:4:1:	S[5]-3:C-3:C-3:	O-2:C-3:O-1:	C-3:C-4:O-1:	C(S[5]C[5,6]C[5])(CCO)(COO)	C(OC[6,6])(CS[5]C)(O)	C(CS[5]C)(CH3)(O)	C(S[5]C[5,6]C[5])(CCO)(COO)	C(OC[6,6])(CS[5]C)(O)	C(CS[5]C)(CH3)(O)	125.3620	0.000	1	125.3620	0.000	1	125.3620	0.000	1	125.3620	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	2:3:1:	4:3:1:	C-3:C-3:C-3:	O-2:C-3:O-1:	C-4:C-3:O-1:	C(CC[5a]H)(CCO)(COO)	C(ON[6])(CCC)(O)	C(CH3)(CCC)(O)	C(CC[5a]H)(CCO)(COO)	C(ON[6])(CCC)(O)	C(CH3)(CCC)(O)	117.3790	0.000	1	117.3790	0.000	1	117.3790	0.000	1	117.3790	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	2:3:2:	4:3:1:	C-3:C-3:C-3:	N-2:C-3:S-2:	C-4:C-3:O-1:	C(CC[6a]O)(CCO)(CNS)	C(NC[6a])(CCC)(SC)	C(CH3)(CCC)(O)	C(CC[6a]O)(CCO)(CNS)	C(NC[6a])(CCC)(SC)	C(CH3)(CCC)(O)	121.3480	0.000	1	121.3480	0.000	1	121.3480	0.000	1	121.3480	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	2:3:3:	3:2:1:	C-3:C-3:C-3:	S-2:C-3:C-3:	C-3:O-2:O-1:	C(CCC)(CCS)(COO)	C(SC[3x3,4,3x5,14x6])(CCC)(COO)	C(CCC)(OC)(O)	C(CCC)(CCS)(COO)	C(SC[3x3,4,3x5,14x6])(CCC)(COO)	C(CCC)(OC)(O)	123.4100	0.000	1	123.4100	0.000	1	122.0490	1.858	3	122.5154	1.339	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	2:3:3:	3:2:1:	C-3:C-3:C-3:	S-2:C-3:C-3:	C-3:O-2:O-1:	C(CCN)(CCS)(COO)	C(SC[6a])(CCC)(CCH)	C(CCC)(OC)(O)	C(CCN)(CCS)(COO)	C(SC[6a])(CCC)(CCH)	C(CCC)(OC)(O)	122.0530	0.000	1	122.0530	0.000	1	122.0490	1.858	3	122.5154	1.339	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	2:3:3:	3:2:1:	C-3:C-3:C-3:	S-2:C-3:C-3:	C-3:O-2:O-1:	C(CC[6a]O)(CCS)(COO)	C(SC[6a])(CCC)(COO)	C(CCC)(OC)(O)	C(CC[6a]O)(CCS)(COO)	C(SC[6a])(CCC)(COO)	C(CCC)(OC)(O)	120.6840	0.000	1	120.6840	0.000	1	122.0490	1.858	3	122.5154	1.339	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	2:3:3:	3:2:1:	C-3:C-3:N-3:	S-2:C-3:C-3:	C-3:O-2:O-1:	C(CCS)(COO)(NCS)	C(SC[6a])(CCN)(COO)	C(CCN)(OC)(O)	C(CCS)(COO)(NCS)	C(SC[6a])(CCN)(COO)	C(CCN)(OC)(O)	123.2150	0.085	2	123.2150	0.007	2	123.2150	0.007	2	122.5154	1.339	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	2:3:3:	3:2:2:	C-3:C-3:N-3:	S-2:C-3:C-3:	C-3:S-2:S-2:	C(CCS)(CSS)(NOO)	C(SC[6a])(CCl2)(CCN)	C(CCN)(SC)2	C(CCS)(CSS)(NOO)	C(SC[6a])(CCl2)(CCN)	C(CCN)(SC)2	125.2410	0.000	1	125.2410	0.000	1	125.2410	0.000	1	125.2410	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	2:3:3:	3:3:3:	C-3:C-3:C-3:	S-2:C-3:C-3:	C-3:C-3:C-3:	C(CCC)(CCS)(COO)	C(SC[3x3,4,3x5,14x6])(CCC)(COO)	C(CCC)(CCS)(COO)	C(CCC)(CCS)(COO)	C(SC[3x3,4,3x5,14x6])(CCC)(COO)	C(CCC)(CCS)(COO)	121.6680	0.000	1	121.6680	0.000	1	121.6680	0.000	1	121.6680	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	2:3:3:	4:3:3:	C-3:C-3:C-3:	S-2:C-3:C-3:	C-4:C-3:N-3:	C(CCN)(CCS)(COO)	C(SC[6a])(CCC)(CCH)	C(CHHN)(CCC)(NHH)	C(CCN)(CCS)(COO)	C(SC[6a])(CCC)(CCH)	C(CHHN)(CCC)(NHH)	118.9100	0.000	1	118.9100	0.000	1	118.9100	0.000	1	118.9100	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	2:4:3:	2:4:3:	C-3:C-3:C-3:	N-2:C-4:C-3:	N-2:C-4:C-3:	C(CC[6a]H)(CCN)2	C(NC[6a])(CH3)(CCC)	C(NC[6a])(CH3)(CCC)	C(CC[6a]H)(CCN)2	C(NC[6a])(CH3)(CCC)	C(NC[6a])(CH3)(CCC)	113.8653	2.836	4	113.8653	8.046	4	113.8653	8.046	4	113.8653	8.046	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	2:4:3:	3:2:1:	C-3:C-3:C-3:	N-2:C-4:C-3:	C-3:O-2:O-1:	C(CCN)(CHN)(COO)	C(NC[6a])(CH3)(CCC)	C(CCC)(OC)(O)	C(CCN)(CHN)(COO)	C(NC[6a])(CH3)(CCC)	C(CCC)(OC)(O)	122.0560	0.000	1	122.0560	0.000	1	118.1580	30.389	2	118.1580	30.389	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	2:4:3:	3:2:1:	C-3:C-3:C-3:	N-2:C-4:C-3:	C-3:O-2:O-1:	C(CC[6a]S)(CCN)(COO)	C(NC[6a])(CF3)(CCC)	C(CCC)(OC)(O)	C(CC[6a]S)(CCN)(COO)	C(NC[6a])(CF3)(CCC)	C(CCC)(OC)(O)	114.2600	0.000	1	114.2600	0.000	1	118.1580	30.389	2	118.1580	30.389	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	2:4:3:	3:3:1:	C-3:C-3:C-3:	N-2:C-4:C-3:	N-3:C-3:H-1:	C(CCN)(CHN)(COO)	C(NC[6a])(CH3)(CCC)	C(NC[6a]H)(CCC)(H)	C(CCN)(CHN)(COO)	C(NC[6a])(CH3)(CCC)	C(NC[6a]H)(CCC)(H)	121.9360	0.000	1	121.9360	0.000	1	121.9360	0.000	1	120.7585	2.773	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	2:4:3:	3:3:1:	N-3:C-3:C-3:	N-2:C-4:C-3:	C-3:C-3:H-1:	C(NC[6a]H)(CCH)(CCN)	C(NC[6a])(CH3)(CCN)	C(CCH)(CCN)(H)	C(NC[6a]H)(CCH)(CCN)	C(NC[6a])(CH3)(CCN)	C(CCH)(CCN)(H)	119.5810	0.000	1	119.5810	0.000	1	119.5810	0.000	1	120.7585	2.773	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	2:4:3:	3:3:3:	C-3:C-3:C-3:	N-2:C-4:C-3:	C-3:C-3:C-3:	C(CCC)(CCN)2	C(NC[6a])(CH3)(CCC)	C(CCC)(CCN)2	C(CCC)(CCN)2	C(NC[6a])(CH3)(CCC)	C(CCC)(CCN)2	118.3298	0.349	4	118.3298	0.122	4	118.3298	0.122	4	118.3298	0.122	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:1:1:	3:1:1:	C[5]-3:C-3:C-3:	C-3:H-1:O-1:	C-3:H-1:O-1:	C(C[5]C[5]N[5])(CHO)2	C(CC[5]C)(H)(O)	C(CC[5]C)(H)(O)	C(C[5]C[5]N[5])(CHO)2	C(CC[5]C)(H)(O)	C(CC[5]C)(H)(O)	115.0450	1.826	2	115.0450	3.333	2	116.3800	7.013	3	116.3485	8.187	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:1:1:	3:1:1:	C[5]-3:C-3:C-3:	C-3:H-1:O-1:	C-3:H-1:O-1:	C(C[5]N[5]S[5])(CHO)2	C(CC[5]C)(H)(O)	C(CC[5]C)(H)(O)	C(C[5]N[5]S[5])(CHO)2	C(CC[5]C)(H)(O)	C(CC[5]C)(H)(O)	119.0500	0.000	1	119.0500	0.000	1	116.3800	7.013	3	116.3485	8.187	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:1:1:	3:1:1:	C[6]-3:C-3:C-3:	C-3:H-1:O-1:	C-3:H-1:O-1:	C(C[6]C[6]2)(CHO)2	C(CC[6]C)(H)(O)	C(CC[6]C)(H)(O)	C(C[6]C[6]2)(CHO)2	C(CC[6]C)(H)(O)	C(CC[6]C)(H)(O)	112.9440	0.000	1	112.9440	0.000	1	116.5825	26.477	2	116.3485	8.187	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:1:1:	3:1:1:	C[6]-3:C-3:C-3:	C-3:H-1:O-1:	C-3:H-1:O-1:	C(C[6]N[6]O[6])(CHO)2	C(CC[6]C)(H)(O)	C(CC[6]C)(H)(O)	C(C[6]N[6]O[6])(CHO)2	C(CC[6]C)(H)(O)	C(CC[6]C)(H)(O)	120.2210	0.000	1	120.2210	0.000	1	116.5825	26.477	2	116.3485	8.187	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:1:1:	3:1:1:	C[6a]-3:C-3:C-3:	C-3:H-1:O-1:	C-3:H-1:O-1:	C(C[6a]C[6a]2)(CHO)2	C(CC[6a]C)(H)(O)	C(CC[6a]C)(H)(O)	C(C[6a]C[6a]2)(CHO)2	C(CC[6a]C)(H)(O)	C(CC[6a]C)(H)(O)	115.7860	0.000	1	115.7860	0.000	1	115.7860	0.000	1	116.3485	8.187	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:1:1:	3:2:1:	C-3:C-3:N-3:	C-3:Br-1:H-1:	C-3:O-2:O-1:	C(CBrH)(COO)(NCH)	C(CCN)(Br)(H)	C(CCN)(OC)(O)	C(CBrH)(COO)(NCH)	C(CCN)(Br)(H)	C(CCN)(OC)(O)	118.4960	0.000	1	118.4960	0.000	1	118.4960	0.000	1	118.4960	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:1:1:	3:3:1:	N-3:C-3:C-3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C(NC[6a]Al)(CCH)(CHH)	C(CCN)(H)2	C(CCN)2(H)	C(NC[6a]Al)(CCH)(CHH)	C(CCN)(H)2	C(CCN)2(H)	119.0167	0.270	3	119.0167	0.073	3	119.0167	0.073	3	119.0167	0.073	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:1:1:	C-3:C-3:C-3:	C-3:O-2:O-1:	C-3:O-1:O-1:	C(CC[5a]H)(COO)2	C(CCC)(OH)(O)	C(CCC)(O)2	C(CC[5a]H)(COO)2	C(CCC)(OH)(O)	C(CCC)(O)2	114.2580	0.000	1	114.2580	0.000	1	114.2580	0.000	1	119.6719	10.796	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:1:1:	C-3:C-3:N-3:	C-3:O-2:H-1:	C-3:H-1:O-1:	C(CHO)2(NCH)	C(CCN)(OH)(H)	C(CCN)(H)(O)	C(CHO)2(NCH)	C(CCN)(OH)(H)	C(CCN)(H)(O)	115.5630	0.000	1	115.5630	0.000	1	115.5630	0.000	1	119.6719	10.796	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:1:1:	C-3:C-3:N-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(CHH)(COO)(NCC)	C(CCN)(OC)(O)	C(CCN)(H)2	C(CHH)(COO)(NCC)	C(CCN)(OC)(O)	C(CCN)(H)2	121.0390	0.000	1	121.0390	0.000	1	122.2670	1.222	3	119.6719	10.796	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:1:1:	C-3:C-3:N-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(CHH)(COO)(NCH)	C(CCN)(OC)(O)	C(CCN)(H)2	C(CHH)(COO)(NCH)	C(CCN)(OC)(O)	C(CCN)(H)2	123.1830	0.000	1	123.1830	0.000	1	122.2670	1.222	3	119.6719	10.796	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:1:1:	C-3:C-3:N-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(CHH)(COO)(NHS)	C(CCN)(OC)(O)	C(CCN)(H)2	C(CHH)(COO)(NHS)	C(CCN)(OC)(O)	C(CCN)(H)2	122.5790	0.000	1	122.5790	0.000	1	122.2670	1.222	3	119.6719	10.796	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:1:1:	C[6a]-3:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHH)(COO)	C(CC[6a]C)(OC)(O)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CHH)(COO)	C(CC[6a]C)(OC)(O)	C(CC[6a]C)(H)2	117.7180	0.000	1	117.7180	0.000	1	117.7180	0.000	1	119.6719	10.796	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:1:1:	Ge[6]-3:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(Ge[6]N[6]2)(CHH)(COO)	C(CGe[6]C)(OC)(O)	C(CGe[6]C)(H)2	C(Ge[6]N[6]2)(CHH)(COO)	C(CGe[6]C)(OC)(O)	C(CGe[6]C)(H)2	116.1400	0.000	1	116.1400	0.000	1	116.1400	0.000	1	119.6719	10.796	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:1:1:	N[5]-3:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(N[5]C[5]2)(CHH)(COO)	C(CN[5]C)(OC)(O)	C(CN[5]C)(H)2	C(N[5]C[5]2)(CHH)(COO)	C(CN[5]C)(OC)(O)	C(CN[5]C)(H)2	121.4778	1.805	4	121.4778	3.259	4	121.4778	3.259	4	119.6719	10.796	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:1:	C-3:C-3:C-3:	C-3:N-2:O-1:	C-3:O-2:O-1:	C(CCO)(CNO)(COO)	C(CCC)(NC)(O)	C(CCC)(OC)(O)	C(CCO)(CNO)(COO)	C(CCC)(NC)(O)	C(CCC)(OC)(O)	119.0225	0.295	2	119.0225	0.087	2	119.0225	0.087	2	118.2550	17.002	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:1:	C-3:C-3:C-3:	C-3:O-2:H-1:	C-3:O-2:O-1:	C(CCC)(CHO)(COO)	C(CCC)(OC)(H)	C(CCC)(OC)(O)	C(CCC)(CHO)(COO)	C(CCC)(OC)(H)	C(CCC)(OC)(O)	115.8620	0.000	1	115.8620	0.000	1	115.8620	0.000	1	118.2550	17.002	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:1:	C-3:C-3:C-3:	C-3:O-2:O-1:	C-3:O-2:O-1:	C(CCC)(COO)2	C(CCC)(OC)(O)	C(CCC)(OC)(O)	C(CCC)(COO)2	C(CCC)(OC)(O)	C(CCC)(OC)(O)	115.5593	0.923	3	115.5593	0.851	3	118.3939	15.795	48	118.2550	17.002	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:1:	C-3:C-3:C-3:	C-3:O-2:O-1:	C-3:O-2:O-1:	C(CCN)(COO)2	C(CCC)(OC)(O)	C(CCC)(OC)(O)	C(CCN)(COO)2	C(CCC)(OC)(O)	C(CCC)(OC)(O)	119.0600	0.000	1	119.0600	0.000	1	118.3939	15.795	48	118.2550	17.002	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:1:	C-3:C-3:C-3:	C-3:O-2:O-1:	C-3:O-2:O-1:	C(CCP)(COO)2	C(CCC)(OC)(O)	C(CCC)(OC)(O)	C(CCP)(COO)2	C(CCC)(OC)(O)	C(CCC)(OC)(O)	117.4300	0.000	1	117.4300	0.000	1	118.3939	15.795	48	118.2550	17.002	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:1:	C-3:C-3:C-3:	C-3:O-2:O-1:	C-3:O-2:O-1:	C(CCS)(COO)2	C(CCC)(OC)(O)	C(CCC)(OC)(O)	C(CCS)(COO)2	C(CCC)(OC)(O)	C(CCC)(OC)(O)	117.5800	0.000	1	117.5800	0.000	1	118.3939	15.795	48	118.2550	17.002	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:1:	C-3:C-3:C-3:	C-3:O-2:O-1:	C-3:O-2:O-1:	C(CC[5]2)(COO)2	C(CCC)(OC)(O)	C(CCC)(OC)(O)	C(CC[5]2)(COO)2	C(CCC)(OC)(O)	C(CCC)(OC)(O)	116.0960	1.325	2	116.0960	1.756	2	118.3939	15.795	48	118.2550	17.002	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:1:	C-3:C-3:C-3:	C-3:O-2:O-1:	C-3:O-2:O-1:	C(CC[5]C)(COO)2	C(CCC)(OC)(O)	C(CCC)(OC)(O)	C(CC[5]C)(COO)2	C(CCC)(OC)(O)	C(CCC)(OC)(O)	116.1460	0.000	1	116.1460	0.000	1	118.3939	15.795	48	118.2550	17.002	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:1:	C-3:C-3:C-3:	C-3:O-2:O-1:	C-3:O-2:O-1:	C(CC[5]H)(COO)2	C(CCC)(OC)(O)	C(CCC)(OC)(O)	C(CC[5]H)(COO)2	C(CCC)(OC)(O)	C(CCC)(OC)(O)	115.5240	0.000	1	115.5240	0.000	1	118.3939	15.795	48	118.2550	17.002	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:1:	C-3:C-3:C-3:	C-3:O-2:O-1:	C-3:O-2:O-1:	C(CC[5a]C[6])(COO)2	C(CCC)(OC)(O)	C(CCC)(OC)(O)	C(CC[5a]C[6])(COO)2	C(CCC)(OC)(O)	C(CCC)(OC)(O)	113.1010	1.444	2	113.1010	2.085	2	118.3939	15.795	48	118.2550	17.002	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:1:	C-3:C-3:C-3:	C-3:O-2:O-1:	C-3:O-2:O-1:	C(CC[5a]H)(COO)2	C(CCC)(OC)(O)	C(CCC)(OC)(O)	C(CC[5a]H)(COO)2	C(CCC)(OC)(O)	C(CCC)(OC)(O)	116.4623	2.046	9	116.4623	4.185	9	118.3939	15.795	48	118.2550	17.002	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:1:	C-3:C-3:C-3:	C-3:O-2:O-1:	C-3:O-2:O-1:	C(CC[6a]H)(COO)2	C(CCC)(OC)(O)	C(CCC)(OC)(O)	C(CC[6a]H)(COO)2	C(CCC)(OC)(O)	C(CCC)(OC)(O)	116.7716	1.908	10	116.7716	3.639	10	118.3939	15.795	48	118.2550	17.002	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:1:	C-3:C-3:C-3:	C-3:O-2:O-1:	C-3:O-2:O-1:	C(CFeRu)(COO)2	C(CCC)(OC)(O)	C(CCC)(OC)(O)	C(CFeRu)(COO)2	C(CCC)(OC)(O)	C(CCC)(OC)(O)	116.4450	0.000	1	116.4450	0.000	1	118.3939	15.795	48	118.2550	17.002	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:1:	C-3:C-3:C-3:	C-3:O-2:O-1:	C-3:O-2:O-1:	C(CHN)(COO)2	C(CCC)(OC)(O)	C(CCC)(OC)(O)	C(CHN)(COO)2	C(CCC)(OC)(O)	C(CCC)(OC)(O)	124.9548	2.269	10	124.9548	5.149	10	118.3939	15.795	48	118.2550	17.002	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:1:	C-3:C-3:C-3:	C-3:O-2:O-1:	C-3:O-2:O-1:	C(CHN)(COO)2	C(CCC)(OC)(O)	C(CCC)(OH)(O)	C(CHN)(COO)2	C(CCC)(OC)(O)	C(CCC)(OH)(O)	119.5877	0.129	3	119.5877	0.017	3	118.3939	15.795	48	118.2550	17.002	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:1:	C-3:C-3:C-3:	C-3:O-2:O-1:	C-3:O-2:O-1:	C(CN[5]C)(COO)2	C(CCC)(OC)(O)	C(CCC)(OC)(O)	C(CN[5]C)(COO)2	C(CCC)(OC)(O)	C(CCC)(OC)(O)	114.4870	0.000	1	114.4870	0.000	1	118.3939	15.795	48	118.2550	17.002	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:1:	C-3:C-3:C-3:	C-3:O-2:O-1:	C-3:O-2:O-1:	C(COO)2(CSS)	C(CCC)(OC)(O)	C(CCC)(OC)(O)	C(COO)2(CSS)	C(CCC)(OC)(O)	C(CCC)(OC)(O)	119.9840	0.000	1	119.9840	0.000	1	118.3939	15.795	48	118.2550	17.002	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:1:	C-3:C-3:C-3:	C-3:O-2:O-1:	C-3:O-2:O-1:	C(CRu2)(COO)2	C(CCC)(OC)(O)	C(CCC)(OC)(O)	C(CRu2)(COO)2	C(CCC)(OC)(O)	C(CCC)(OC)(O)	116.9890	0.000	1	116.9890	0.000	1	118.3939	15.795	48	118.2550	17.002	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:1:	C-3:C-3:S-3:	C-3:O-2:O-1:	C-3:O-2:O-1:	C(COO)2(SCC)	C(CCS)(OC)(O)	C(CCS)(OC)(O)	C(COO)2(SCC)	C(CCS)(OC)(O)	C(CCS)(OC)(O)	125.8420	0.000	1	125.8420	0.000	1	125.8420	0.000	1	118.2550	17.002	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:1:	C[5]-3:C-3:C-3:	C-3:O-2:O-1:	C-3:O-2:O-1:	C(C[5]C[5,6a]C[5])(COO)2	C(CC[5]C)(OC)(O)	C(CC[5]C)(OC)(O)	C(C[5]C[5,6a]C[5])(COO)2	C(CC[5]C)(OC)(O)	C(CC[5]C)(OC)(O)	112.1270	0.000	1	112.1270	0.000	1	115.3890	14.561	6	118.2550	17.002	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:1:	C[5]-3:C-3:C-3:	C-3:O-2:O-1:	C-3:O-2:O-1:	C(C[5]C[5,6a]O[5])(COO)2	C(CC[5]C)(OC)(O)	C(CC[5]C)(OC)(O)	C(C[5]C[5,6a]O[5])(COO)2	C(CC[5]C)(OC)(O)	C(CC[5]C)(OC)(O)	115.9670	0.000	1	115.9670	0.000	1	115.3890	14.561	6	118.2550	17.002	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:1:	C[5]-3:C-3:C-3:	C-3:O-2:O-1:	C-3:O-2:O-1:	C(C[5]C[5]2)(COO)2	C(CC[5]C)(OC)(O)	C(CC[5]C)(OC)(O)	C(C[5]C[5]2)(COO)2	C(CC[5]C)(OC)(O)	C(CC[5]C)(OC)(O)	110.6220	0.000	1	110.6220	0.000	1	115.3890	14.561	6	118.2550	17.002	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:1:	C[5]-3:C-3:C-3:	C-3:O-2:O-1:	C-3:O-2:O-1:	C(C[5]C[5]N[5])(COO)2	C(CC[5]C)(OC)(O)	C(CC[5]C)(OC)(O)	C(C[5]C[5]N[5])(COO)2	C(CC[5]C)(OC)(O)	C(CC[5]C)(OC)(O)	114.6310	0.000	1	114.6310	0.000	1	115.3890	14.561	6	118.2550	17.002	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:1:	C[5]-3:C-3:C-3:	C-3:O-2:O-1:	C-3:O-2:O-1:	C(C[5]N[5]S[5])(COO)2	C(CC[5]C)(OC)(O)	C(CC[5]C)(OC)(O)	C(C[5]N[5]S[5])(COO)2	C(CC[5]C)(OC)(O)	C(CC[5]C)(OC)(O)	117.9380	0.000	1	117.9380	0.000	1	115.3890	14.561	6	118.2550	17.002	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:1:	C[5]-3:C-3:C-3:	C-3:O-2:O-1:	C-3:O-2:O-1:	C(C[5]S[5]2)(COO)2	C(CC[5]C)(OC)(O)	C(CC[5]C)(OC)(O)	C(C[5]S[5]2)(COO)2	C(CC[5]C)(OC)(O)	C(CC[5]C)(OC)(O)	121.0490	0.000	1	121.0490	0.000	1	115.3890	14.561	6	118.2550	17.002	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:1:	C[6a]-3:C-3:C-3:	C-3:O-2:H-1:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CHO)(COO)	C(CC[6a]C)(OC)(H)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CHO)(COO)	C(CC[6a]C)(OC)(H)	C(CC[6a]C)(OC)(O)	118.8790	1.570	4	118.8790	2.466	4	118.4268	2.303	9	118.2550	17.002	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:1:	C[6a]-3:C-3:C-3:	C-3:O-2:H-1:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CHO)(COO)	C(CC[6a]C)(OC[6a])(H)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CHO)(COO)	C(CC[6a]C)(OC[6a])(H)	C(CC[6a]C)(OC)(O)	118.0650	1.545	5	118.0650	2.388	5	118.4268	2.303	9	118.2550	17.002	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:1:	C[6a]-3:C-3:C-3:	C-3:O-2:O-1:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(COO)2	C(CC[6a]C)(OC)(O)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(COO)2	C(CC[6a]C)(OC)(O)	C(CC[6a]C)(OC)(O)	115.0264	1.481	14	115.0264	2.193	14	115.0264	2.193	14	118.2550	17.002	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:1:	C[6a]-3:C-3:C-3:	C-3:S-2:H-1:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CHS)(COO)	C(CC[6a]C)(SC[6a])(H)	C(CC[6a]C)(OH)(O)	C(C[6a]C[6a]2)(CHS)(COO)	C(CC[6a]C)(SC[6a])(H)	C(CC[6a]C)(OH)(O)	120.0390	0.000	1	120.0390	0.000	1	120.0390	0.000	1	118.2550	17.002	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:1:	S[5]-3:C-3:C-3:	C-3:O-2:O-1:	C-3:O-2:O-1:	C(S[5]C[5,6a]2)(COO)2	C(CS[5]C)(OC)(O)	C(CS[5]C)(OC)(O)	C(S[5]C[5,6a]2)(COO)2	C(CS[5]C)(OC)(O)	C(CS[5]C)(OC)(O)	126.4790	0.000	1	126.4790	0.000	1	126.4790	0.000	1	118.2550	17.002	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:1:	S[6]-3:C-3:C-3:	C-3:O-2:O-1:	C-3:O-2:O-1:	C(S[6]C[6,6a]2)(COO)2	C(CS[6]C)(OC)(O)	C(CS[6]C)(OC)(O)	C(S[6]C[6,6a]2)(COO)2	C(CS[6]C)(OC)(O)	C(CS[6]C)(OC)(O)	126.0160	1.151	2	126.0160	1.325	2	126.0160	1.325	2	118.2550	17.002	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:1:	Se-3:C-3:C-3:	C-3:O-2:O-1:	C-3:O-2:O-1:	C(SeC[6a]C)(COO)2	C(CSeC)(OC)(O)	C(CSeC)(OC)(O)	C(SeC[6a]C)(COO)2	C(CSeC)(OC)(O)	C(CSeC)(OC)(O)	127.0330	0.000	1	127.0330	0.000	1	127.0330	0.000	1	118.2550	17.002	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:1:	Se-3:C-3:C-3:	C-3:Se-2:H-1:	C-3:O-2:O-1:	C(SeCo2)(CSeH)(COO)	C(CSeC)(SeCo)(H)	C(CSeC)(OC)(O)	C(SeCo2)(CSeH)(COO)	C(CSeC)(SeCo)(H)	C(CSeC)(OC)(O)	124.9550	0.000	1	124.9550	0.000	1	124.8295	0.032	2	118.2550	17.002	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:1:	Se-3:C-3:C-3:	C-3:Se-2:H-1:	C-3:O-2:O-1:	C(SeIr2)(CSeH)(COO)	C(CSeC)(SeIr)(H)	C(CSeC)(OC)(O)	C(SeIr2)(CSeH)(COO)	C(CSeC)(SeIr)(H)	C(CSeC)(OC)(O)	124.7040	0.000	1	124.7040	0.000	1	124.8295	0.032	2	118.2550	17.002	88	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:2:2:	C-3:C-3:C-3:	C-3:O-2:O-1:	C-3:S-2:S-2:	C(COO)2(CSS)	C(CCC)(OC)(O)	C(CCC)(SPt)2	C(COO)2(CSS)	C(CCC)(OC)(O)	C(CCC)(SPt)2	120.0010	1.024	2	120.0010	1.048	2	120.0010	1.048	2	120.0010	1.048	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:3:2:	C-3:C-3:C-3:	C-3:S-2:H-1:	C-3:C-3:C-2:	C(CC[6a]C)(CCC)(CHS)	C(CCC)(SC)(H)	C(CCC)2(CN)	C(CC[6a]C)(CCC)(CHS)	C(CCC)(SC)(H)	C(CCC)2(CN)	122.6040	0.000	1	122.6040	0.000	1	122.6040	0.000	1	122.6040	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:3:3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C-3:C-3:C-3:	C(CCC)(CCO)(COO)	C(CCC)(OC)(O)	C(CCC)2(COO)	C(CCC)(CCO)(COO)	C(CCC)(OC)(O)	C(CCC)2(COO)	115.9660	0.000	1	115.9660	0.000	1	117.1780	10.756	23	117.3692	11.165	24	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:3:3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C-3:C-3:C-3:	C(CCC)(COO)2	C(CCC)(OC)(O)	C(CCC)2(COO)	C(CCC)(COO)2	C(CCC)(OC)(O)	C(CCC)2(COO)	122.1195	1.563	2	122.1195	2.444	2	117.1780	10.756	23	117.3692	11.165	24	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:3:3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C-3:C-3:C-3:	C(CCC)2(COO)	C(CCC)(OC)(O)	C(CCC)(COO)2	C(CCC)2(COO)	C(CCC)(OC)(O)	C(CCC)(COO)2	119.6430	0.000	1	119.6430	0.000	1	117.1780	10.756	23	117.3692	11.165	24	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:3:3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C-3:C-3:C-3:	C(CCC)2(COO)	C(CCC)(OC)(O)	C(CCC)2(COO)	C(CCC)2(COO)	C(CCC)(OC)(O)	C(CCC)2(COO)	119.0577	2.296	8	119.0577	5.273	8	117.1780	10.756	23	117.3692	11.165	24	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:3:3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C-3:C-3:C-3:	C(CC[5]C)(CCC)(COO)	C(CCC)(OC)(O)	C(CCC)(COO)2	C(CC[5]C)(CCC)(COO)	C(CCC)(OC)(O)	C(CCC)(COO)2	120.3010	0.000	1	120.3010	0.000	1	117.1780	10.756	23	117.3692	11.165	24	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:3:3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C-3:C-3:C-3:	C(CIrC)(CCC)(COO)	C(CCC)(OC)(O)	C(CCC)2(COO)	C(CIrC)(CCC)(COO)	C(CCC)(OC)(O)	C(CCC)2(COO)	114.0832	1.350	9	114.0832	1.824	9	117.1780	10.756	23	117.3692	11.165	24	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:3:3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C-3:C-3:C-3:	C(CN[6]C)(CCC)(COO)	C(CCC)(OC)(O)	C(CCC)2(COO)	C(CN[6]C)(CCC)(COO)	C(CCC)(OC)(O)	C(CCC)2(COO)	115.7340	0.000	1	115.7340	0.000	1	117.1780	10.756	23	117.3692	11.165	24	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:3:3:	N[5]-3:C-3:C-3:	C-3:O-2:O-1:	C-3:C-3:C-3:	C(N[5]C[5]2)(CCC)(COO)	C(CN[5]C)(OC)(O)	C(CN[5]C)(COO)2	C(N[5]C[5]2)(CCC)(COO)	C(CN[5]C)(OC)(O)	C(CN[5]C)(COO)2	121.7660	0.000	1	121.7660	0.000	1	121.7660	0.000	1	117.3692	11.165	24	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:4:4:	C[5]-3:C-3:C-3:	C-3:O-2:O-1:	C-3:C-4:C-4:	C(C[5]C[5]2)(CCC)(COO)	C(CC[5]C)(OC)(O)	C(CC[5]C)(CH3)2	C(C[5]C[5]2)(CCC)(COO)	C(CC[5]C)(OC)(O)	C(CC[5]C)(CH3)2	122.1260	0.000	1	122.1260	0.000	1	122.1260	0.000	1	123.4405	3.456	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	3:4:4:	N[4]-3:C-3:C-3:	C-3:O-2:O-1:	C-3:C-4:C-4:	C(N[4]C[4]2)(CCC)(COO)	C(CN[4]C)(OC)(O)	C(CN[4]C)(CH3)2	C(N[4]C[4]2)(CCC)(COO)	C(CN[4]C)(OC)(O)	C(CN[4]C)(CH3)2	124.7550	0.000	1	124.7550	0.000	1	124.7550	0.000	1	123.4405	3.456	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:1:	4:3:3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C-4:C-3:C-3:	C(CCC)(CCH)(COO)	C(CCC)(OC)(O)	C(CH3)(CCC)2	C(CCC)(CCH)(COO)	C(CCC)(OC)(O)	C(CH3)(CCC)2	113.4620	0.000	1	113.4620	0.000	1	113.4620	0.000	1	113.4620	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:2:	3:2:1:	C-3:C-3:C-3:	C-3:O-2:O-2:	C-3:O-2:O-1:	C(CCN)(COO)2	C(CCC)(OPd)(OC)	C(CCC)(OC)(O)	C(CCN)(COO)2	C(CCC)(OPd)(OC)	C(CCC)(OC)(O)	118.9230	1.420	2	118.9230	2.016	2	122.4506	9.684	9	122.4506	9.684	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:2:	3:2:1:	C-3:C-3:C-3:	C-3:O-2:O-2:	C-3:O-2:O-1:	C(CHN)(COO)2	C(CCC)(OCu)(OC)	C(CCC)(OC)(O)	C(CHN)(COO)2	C(CCC)(OCu)(OC)	C(CCC)(OC)(O)	124.0293	2.759	3	124.0293	7.611	3	122.4506	9.684	9	122.4506	9.684	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:2:	3:2:1:	C-3:C-3:C-3:	C-3:O-2:O-2:	C-3:O-2:O-1:	C(CHN)(COO)2	C(CCC)(OZn)(OC)	C(CCC)(OC)(O)	C(CHN)(COO)2	C(CCC)(OZn)(OC)	C(CCC)(OC)(O)	123.0302	2.974	4	123.0302	8.842	4	122.4506	9.684	9	122.4506	9.684	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:2:	3:2:2:	C-3:C-3:C-3:	C-3:C-2:C-2:	C-3:C-2:C-2:	C(CCC)3	C(CCC)(CN)2	C(CCC)(CN)2	C(CCC)3	C(CCC)(CN)2	C(CCC)(CN)2	119.9941	1.060	24	119.9941	1.125	24	119.9941	1.125	24	119.7022	2.340	28	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:2:	3:2:2:	C-3:C-3:C-3:	C-3:O-2:O-2:	C-3:O-2:O-2:	C(CCC)(COO)2	C(CCC)(OIr)(OC)	C(CCC)(OIr)(OC)	C(CCC)(COO)2	C(CCC)(OIr)(OC)	C(CCC)(OIr)(OC)	113.8610	0.000	1	113.8610	0.000	1	113.8610	0.000	1	119.7022	2.340	28	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:2:	3:2:2:	C[6a]-3:C-3:C-3:	C-3:O-2:O-2:	C-3:O-2:O-2:	C(C[6a]C[6a]2)(COO)2	C(CC[6a]C)(OFe)(OC)	C(CC[6a]C)(OFe)(OC)	C(C[6a]C[6a]2)(COO)2	C(CC[6a]C)(OFe)(OC)	C(CC[6a]C)(OFe)(OC)	119.6500	0.174	2	119.6500	0.030	2	119.3140	0.354	3	119.7022	2.340	28	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:2:	3:2:2:	C[6a]-3:C-3:C-3:	C-3:O-2:O-2:	C-3:O-2:O-2:	C(C[6a]C[6a]2)(COO)2	C(CC[6a]C)(ONi)(OC)	C(CC[6a]C)(ONi)(OC)	C(C[6a]C[6a]2)(COO)2	C(CC[6a]C)(ONi)(OC)	C(CC[6a]C)(ONi)(OC)	118.6420	0.000	1	118.6420	0.000	1	119.3140	0.354	3	119.7022	2.340	28	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:2:	3:3:1:	C-3:C-3:C-3:	C-3:O-2:O-2:	N-3:C-3:H-1:	C(CHN)(COO)2	C(CCC)(OCu)(OC)	C(NCuC)(CCC)(H)	C(CHN)(COO)2	C(CCC)(OCu)(OC)	C(NCuC)(CCC)(H)	120.2620	0.000	1	120.2620	0.000	1	120.2620	0.000	1	120.6833	0.144	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:2:	3:3:1:	C-3:C-3:C-3:	C-3:S-2:S-2:	C-3:C-3:H-1:	C(CC[6a]O)(CCH)(CSS)	C(CCC)(SC)2	C(CCC)2(H)	C(CC[6a]O)(CCH)(CSS)	C(CCC)(SC)2	C(CCC)2(H)	120.8940	0.144	2	120.8940	0.021	2	120.8940	0.021	2	120.6833	0.144	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:2:	4:4:3:	C-3:C-3:C-3:	C-3:O-2:O-2:	C-4:C-4:C-3:	C(CCC)(COO)2	C(CCC)(OIr)(OC)	C(CH3)2(CCC)	C(CCC)(COO)2	C(CCC)(OIr)(OC)	C(CH3)2(CCC)	123.0655	2.385	2	123.0655	5.689	2	123.0655	5.689	2	123.0655	5.689	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:3:	2:4:3:	C-3:C-3:C-3:	C[6a]-3:S-2:C-3:	N-2:C-4:C-3:	C(CC[6a]S)(CCN)(COO)	C(C[6a]C[6a]2)(SC[6a])(CCC)	C(NC[6a])(CF3)(CCC)	C(CC[6a]S)(CCN)(COO)	C(C[6a]C[6a]2)(SC[6a])(CCC)	C(NC[6a])(CF3)(CCC)	123.0940	0.000	1	123.0940	0.000	1	123.0940	0.000	1	123.0940	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:3:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:S-2:C-3:	C-3:O-2:O-1:	C(CC[6a]S)(CCC)(COO)	C(C[6a]C[6a]2)(SC[6a])(CCC)	C(CCC)(OC)(O)	C(CC[6a]S)(CCC)(COO)	C(C[6a]C[6a]2)(SC[6a])(CCC)	C(CCC)(OC)(O)	120.7770	0.704	2	120.7770	0.496	2	121.3993	1.410	3	120.9855	1.625	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:3:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:S-2:C-3:	C-3:O-2:O-1:	C(CC[6a]S)(CCN)(COO)	C(C[6a]C[6a]2)(SC[6a])(CCC)	C(CCC)(OC)(O)	C(CC[6a]S)(CCN)(COO)	C(C[6a]C[6a]2)(SC[6a])(CCC)	C(CCC)(OC)(O)	122.6440	0.000	1	122.6440	0.000	1	121.3993	1.410	3	120.9855	1.625	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:3:	3:2:1:	C-3:N-3:C-3:	C[5a]-3:N-2:C-3:	C-3:O-2:O-1:	C(CC[5a]N)(NC[6a]O)(COO)	C(C[5a]C[5a,6a]C[5a])(NC[6a])(CCN)	C(CCN)(OC)(O)	C(CC[5a]N)(NC[6a]O)(COO)	C(C[5a]C[5a,6a]C[5a])(NC[6a])(CCN)	C(CCN)(OC)(O)	119.7440	0.000	1	119.7440	0.000	1	119.7440	0.000	1	120.9855	1.625	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:3:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:N-2:C-3:	C-3:N-3:H-1:	C(CC[6a]N)(CHN)(CNO)	C(C[6a]C[6a]2)(NC[6a])(CCC)	C(CCC)(NCC)(H)	C(CC[6a]N)(CHN)(CNO)	C(C[6a]C[6a]2)(NC[6a])(CCC)	C(CCC)(NCC)(H)	128.4596	1.805	5	128.4596	3.257	5	127.5029	4.842	7	121.8603	37.543	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:3:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:N-2:C-3:	C-3:N-3:H-1:	C(CC[6a]N)(CHN)(CNS)	C(C[6a]C[6a]2)(NC[6a])(CCC)	C(CCC)(NCC)(H)	C(CC[6a]N)(CHN)(CNS)	C(C[6a]C[6a]2)(NC[6a])(CCC)	C(CCC)(NCC)(H)	125.1110	0.078	2	125.1110	0.006	2	127.5029	4.842	7	121.8603	37.543	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:3:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:N-2:C-3:	N-3:C-3:O-1:	C(CC[6a]N)(CHN)(CNO)	C(C[6a]C[6a]2)(NC[6a])(CCC)	C(NC[6a]C)(CCC)(O)	C(CC[6a]N)(CHN)(CNO)	C(C[6a]C[6a]2)(NC[6a])(CCC)	C(NC[6a]C)(CCC)(O)	115.7737	1.198	3	115.7737	1.436	3	116.0434	0.874	5	121.8603	37.543	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:3:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:N-2:C-3:	N-3:C-3:O-1:	C(CC[6a]N)(CHN)(CNO)	C(C[6a]C[6a]2)(NC[6a])(CCC)	C(NC[6a]H)(CCC)(O)	C(CC[6a]N)(CHN)(CNO)	C(C[6a]C[6a]2)(NC[6a])(CCC)	C(NC[6a]H)(CCC)(O)	116.4480	0.281	2	116.4480	0.079	2	116.0434	0.874	5	121.8603	37.543	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:3:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:N-2:C-3:	N-3:C-3:S-1:	C(CC[6a]N)(CHN)(CNS)	C(C[6a]C[6a]2)(NC[6a])(CCC)	C(NC[6a]C)(CCC)(S)	C(CC[6a]N)(CHN)(CNS)	C(C[6a]C[6a]2)(NC[6a])(CCC)	C(NC[6a]C)(CCC)(S)	115.1085	0.530	2	115.1085	0.281	2	115.1085	0.281	2	121.8603	37.543	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:3:	3:3:1:	C-3:C-3:N-3:	N[6]-3:S-2:C-3:	C-3:C-3:Cl-1:	C(CN[6]S)(CClC)(NOO)	C(N[6]C[6]2)(SC[6a])(CCN)	C(CCl2)(CCN)(Cl)	C(CN[6]S)(CClC)(NOO)	C(N[6]C[6]2)(SC[6a])(CCN)	C(CCl2)(CCN)(Cl)	124.9500	0.000	1	124.9500	0.000	1	124.9500	0.000	1	121.8603	37.543	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:3:	3:3:3:	C-3:C-3:C-3:	C[6a]-3:N-2:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(CC[6a]N)(CCN)	C(C[6a]C[6a]2)(NC[6a])(CCC)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)(CC[6a]N)(CCN)	C(C[6a]C[6a]2)(NC[6a])(CCC)	C(C[6a]C[6a]2)(CCC)(CCH)	116.7490	0.000	1	116.7490	0.000	1	116.7490	0.000	1	121.2990	16.035	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:3:	3:3:3:	C-3:C-3:C-3:	C[6a]-3:S-2:C-3:	C-3:C-3:C-3:	C(CC[6a]S)(CCC)(COO)	C(C[6a]C[6a]2)(SC[6a])(CCC)	C(CC[6a]S)(CCC)(COO)	C(CC[6a]S)(CCC)(COO)	C(C[6a]C[6a]2)(SC[6a])(CCC)	C(CC[6a]S)(CCC)(COO)	123.5740	1.008	2	123.5740	1.017	2	123.5740	1.017	2	121.2990	16.035	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:2:3:	4:3:3:	C-3:C-3:C-3:	C[6a]-3:N-2:C-3:	C-4:N-3:C-3:	C(CC[6a]C)(CC[6a]N)(CCN)	C(C[6a]C[6a]2)(NC[6a])(CCC)	C(CC[6a]CH)(NC[6a]H)(CCC)	C(CC[6a]C)(CC[6a]N)(CCN)	C(C[6a]C[6a]2)(NC[6a])(CCC)	C(CC[6a]CH)(NC[6a]H)(CCC)	121.1640	0.000	1	121.1640	0.000	1	121.1640	0.000	1	121.1640	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	2:2:3:	C-3:C-3:N-3:	C-3:C-3:Cl-1:	S-2:S-2:C-3:	C(CClC)(CSS)(NOO)	C(CCl2)(CCN)(Cl)	C(SC[6a])2(CCN)	C(CClC)(CSS)(NOO)	C(CCl2)(CCN)(Cl)	C(SC[6a])2(CCN)	123.3750	0.000	1	123.3750	0.000	1	123.3750	0.000	1	123.3750	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	2:3:1:	C-3:C-3:C-3:	C[5]-3:C-3:H-1:	O-2:C-3:O-1:	C(CC[5]H)(CCO)(COO)	C(C[5]C[5]O[5])(CCC)(H)	C(ON[6])(CCC)(O)	C(CC[5]H)(CCO)(COO)	C(C[5]C[5]O[5])(CCC)(H)	C(ON[6])(CCC)(O)	118.9160	0.000	1	118.9160	0.000	1	118.9160	0.000	1	122.1700	8.348	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	2:3:1:	C-3:C-3:C-3:	C[5a]-3:C-3:H-1:	O-2:C-3:O-1:	C(CC[5a]H)(CCO)(COO)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(ON[6])(CCC)(O)	C(CC[5a]H)(CCO)(COO)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(ON[6])(CCC)(O)	118.8650	0.000	1	118.8650	0.000	1	118.8650	0.000	1	122.1700	8.348	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	2:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	N-2:C-3:H-1:	C(CC[6a]O)(CHN)2	C(C[6a]C[6a]2)(CCC)(O)	C(NC[6a])(CCC)(H)	C(CC[6a]O)(CHN)2	C(C[6a]C[6a]2)(CCC)(O)	C(NC[6a])(CCC)(H)	119.5195	0.456	2	119.5195	0.208	2	119.5195	0.208	2	122.1700	8.348	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	2:3:1:	C-3:C-3:C-3:	N-3:C-3:H-1:	N-2:C-3:H-1:	C(CC[6a]O)(CHN)2	C(NC[6a]H)(CCC)(H)	C(NC[6a])(CCC)(H)	C(CC[6a]O)(CHN)2	C(NC[6a]H)(CCC)(H)	C(NC[6a])(CCC)(H)	123.7035	0.325	2	123.7035	0.105	2	123.7035	0.105	2	122.1700	8.348	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	2:3:1:	C-3:C-3:N-3:	N-3:C-3:H-1:	N-2:C-3:H-1:	C(CHN)2(NOO)	C(NC[6a]H)(CCN)(H)	C(NC[6])(CCN)(H)	C(CHN)2(NOO)	C(NC[6a]H)(CCN)(H)	C(NC[6])(CCN)(H)	125.5670	0.000	1	125.5670	0.000	1	125.1010	0.216	3	122.1700	8.348	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	2:3:1:	C-3:C-3:N-3:	N-3:C-3:H-1:	N-2:C-3:H-1:	C(CHN)2(NOO)	C(NC[6a]H)(CCN)(H)	C(NC[6a])(CCN)(H)	C(CHN)2(NOO)	C(NC[6a]H)(CCN)(H)	C(NC[6a])(CCN)(H)	124.8680	0.325	2	124.8680	0.106	2	125.1010	0.216	3	122.1700	8.348	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	2:3:2:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	N-2:C-3:S-2:	C(CC[6a]O)(CCO)(CNS)	C(C[6a]C[6a]2)(CCC)(O)	C(NC[6a])(CCC)(SC)	C(CC[6a]O)(CCO)(CNS)	C(C[6a]C[6a]2)(CCC)(O)	C(NC[6a])(CCC)(SC)	119.4690	0.000	1	119.4690	0.000	1	119.4690	0.000	1	119.4690	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	2:3:3:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	S-2:C-3:C-3:	C(CC[6a]O)(CCS)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(SC[6a])(CCC)(COO)	C(CC[6a]O)(CCS)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(SC[6a])(CCC)(COO)	122.8290	0.000	1	122.8290	0.000	1	122.8290	0.000	1	122.8290	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	2:4:3:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	N-2:C-4:C-3:	C(CC[6a]H)(CCN)2	C(C[6a]C[6a,6a]2)(CCC)(H)	C(NC[6a])(CH3)(CCC)	C(CC[6a]H)(CCN)2	C(C[6a]C[6a,6a]2)(CCC)(H)	C(NC[6a])(CH3)(CCC)	124.2685	0.813	4	124.2685	0.662	4	123.0400	2.021	8	120.8909	11.629	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	2:4:3:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	N-2:C-4:C-3:	C(CC[6a]H)(CCN)2	C(C[6a]C[6a]2)(CCC)(H)	C(NC[6a])(CH3)(CCC)	C(CC[6a]H)(CCN)2	C(C[6a]C[6a]2)(CCC)(H)	C(NC[6a])(CH3)(CCC)	121.8115	0.171	4	121.8115	0.029	4	123.0400	2.021	8	120.8909	11.629	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	2:4:3:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	N-2:C-4:C-3:	C(CC[6a]O)(CCN)2	C(C[6a]C[6a]2)(CCC)(O)	C(NC[6a])(CH3)(CCC)	C(CC[6a]O)(CCN)2	C(C[6a]C[6a]2)(CCC)(O)	C(NC[6a])(CH3)(CCC)	116.5927	0.989	4	116.5927	0.977	4	116.5927	0.977	4	120.8909	11.629	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:1:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:H-1:O-1:	C(CC[6a]H)(CCH)(CHO)	C(CCC)(CCH)(H)	C(CCC)(H)(O)	C(CC[6a]H)(CCH)(CHO)	C(CCC)(CCH)(H)	C(CCC)(H)(O)	118.9600	0.000	1	118.9600	0.000	1	118.9600	0.000	1	120.4237	17.086	46	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:1:1:	C-3:C-3:C-3:	C[5a]-3:C-3:H-1:	C-3:H-1:O-1:	C(CC[5a]H)(CCC)(CHO)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CCC)(H)(O)	C(CC[5a]H)(CCC)(CHO)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CCC)(H)(O)	117.7710	0.208	2	117.7710	0.043	2	117.7710	0.043	2	120.4237	17.086	46	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:1:1:	C-3:C-3:C-3:	C[5a]-3:C-3:H-1:	C-3:O-1:O-1:	C(CC[5a]H)(COO)2	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CCC)(O)2	C(CC[5a]H)(COO)2	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CCC)(O)2	124.2910	0.000	1	124.2910	0.000	1	124.2910	0.000	1	120.4237	17.086	46	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:1:1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:H-1:O-1:	C(CC[6a]H)(CCH)(CHO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(H)(O)	C(CC[6a]H)(CCH)(CHO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(H)(O)	115.3920	0.000	1	115.3920	0.000	1	115.3920	0.000	1	120.4237	17.086	46	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:1:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:H-1:O-1:	C(CC[5a]C[6a])(CC[6a]O)(CHO)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(H)(O)	C(CC[5a]C[6a])(CC[6a]O)(CHO)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(H)(O)	112.5410	0.000	1	112.5410	0.000	1	112.5410	0.000	1	120.4237	17.086	46	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	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:O-1:	C(CCH)(CHO)(NOO)	C(CCH)(CCN)(H)	C(CCN)(H)(O)	C(CCH)(CHO)(NOO)	C(CCH)(CCN)(H)	C(CCN)(H)(O)	125.0170	0.000	1	125.0170	0.000	1	125.0170	0.000	1	120.4237	17.086	46	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:1:1:	C-3:C-3:N-3:	C-3:N-3:O-1:	C-3:H-1:H-1:	C(CHH)(CNO)(NCH)	C(CCN)(NCH)(O)	C(CCN)(H)2	C(CHH)(CNO)(NCH)	C(CCN)(NCH)(O)	C(CCN)(H)2	124.3050	0.000	1	124.3050	0.000	1	124.3050	0.000	1	120.4237	17.086	46	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	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)(COO)(NCH)	C(C[6a]C[6a]2)(CCN)(H)	C(CCN)(O)2	C(CC[6a]H)(COO)(NCH)	C(C[6a]C[6a]2)(CCN)(H)	C(CCN)(O)2	120.9510	0.000	1	120.9510	0.000	1	120.9510	0.000	1	120.4237	17.086	46	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:1:1:	C[5]-3:C-3:C-3:	C[6]-3:C-3:H-1:	C-3:H-1:H-1:	C(C[5]C[5,6]C[5])(CC[6]H)(CHH)	C(C[6]C[6]2)(CC[5]C)(H)	C(CC[5]C)(H)2	C(C[5]C[5,6]C[5])(CC[6]H)(CHH)	C(C[6]C[6]2)(CC[5]C)(H)	C(CC[5]C)(H)2	123.0350	0.000	1	123.0350	0.000	1	123.0350	0.000	1	120.4237	17.086	46	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:1:1:	C[5]-3:C-3:C-3:	C[6]-3:C-3:H-1:	C-3:H-1:O-1:	C(C[5]C[5]N[5])(CC[6]H)(CHO)	C(C[6]C[6]2)(CC[5]C)(H)	C(CC[5]C)(H)(O)	C(C[5]C[5]N[5])(CC[6]H)(CHO)	C(C[6]C[6]2)(CC[5]C)(H)	C(CC[5]C)(H)(O)	116.6420	0.000	1	116.6420	0.000	1	116.6420	0.000	1	120.4237	17.086	46	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:1:1:	C[5a]-3:C-3:C-3:	C-3:N-3:O-1:	C-3:H-1:H-1:	C(C[5a]C[5a,6a]C[5a])(CHH)(CNO)	C(CC[5a]C)(NCC)(O)	C(CC[5a]C)(H)2	C(C[5a]C[5a,6a]C[5a])(CHH)(CNO)	C(CC[5a]C)(NCC)(O)	C(CC[5a]C)(H)2	117.7000	0.000	1	117.7000	0.000	1	118.3590	0.869	2	120.4237	17.086	46	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:1:1:	C[5a]-3:C-3:C-3:	C-3:N-3:O-1:	C-3:H-1:H-1:	C(C[5a]C[5a,6a]C[5a])(CHH)(CNO)	C(CC[5a]C)(NC[6a]H)(O)	C(CC[5a]C)(H)2	C(C[5a]C[5a,6a]C[5a])(CHH)(CNO)	C(CC[5a]C)(NC[6a]H)(O)	C(CC[5a]C)(H)2	119.0180	0.000	1	119.0180	0.000	1	118.3590	0.869	2	120.4237	17.086	46	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCH)(CHH)	C(CC[5a]C[6a])(CC[6a]C)(H)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCH)(CHH)	C(CC[5a]C[6a])(CC[6a]C)(H)	C(CC[6a]C)(H)2	121.0310	0.000	1	121.0310	0.000	1	121.6837	1.647	3	120.4237	17.086	46	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCH)(CHH)	C(CC[6a]C)(CCC)(H)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCH)(CHH)	C(CC[6a]C)(CCC)(H)	C(CC[6a]C)(H)2	122.0100	1.629	2	122.0100	2.654	2	121.6837	1.647	3	120.4237	17.086	46	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C-3:C-3:	C-3:N-3:H-1:	C-3:H-1:O-1:	C(C[6a]C[6a]2)(CHN)(CHO)	C(CC[6a]C)(NCH)(H)	C(CC[6a]C)(H)(O)	C(C[6a]C[6a]2)(CHN)(CHO)	C(CC[6a]C)(NCH)(H)	C(CC[6a]C)(H)(O)	119.2070	0.000	1	119.2070	0.000	1	115.7622	5.290	4	120.4237	17.086	46	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C-3:C-3:	C-3:N-3:H-1:	C-3:H-1:O-1:	C(C[6a]C[6a]2)(CHN)(CHO)	C(CC[6a]C)(NC[6a]H)(H)	C(CC[6a]C)(H)(O)	C(C[6a]C[6a]2)(CHN)(CHO)	C(CC[6a]C)(NC[6a]H)(H)	C(CC[6a]C)(H)(O)	114.5730	0.197	2	114.5730	0.039	2	115.7622	5.290	4	120.4237	17.086	46	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C-3:C-3:	C-3:N-3:H-1:	C-3:H-1:O-1:	C(C[6a]C[6a]N[6a])(CHN)(CHO)	C(CC[6a]C)(NCC)(H)	C(CC[6a]C)(H)(O)	C(C[6a]C[6a]N[6a])(CHN)(CHO)	C(CC[6a]C)(NCC)(H)	C(CC[6a]C)(H)(O)	114.6960	0.000	1	114.6960	0.000	1	115.7622	5.290	4	120.4237	17.086	46	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C-3:C-3:	C-3:N-3:O-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHH)(CNO)	C(CC[6a]C)(NC[6a]C)(O)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CHH)(CNO)	C(CC[6a]C)(NC[6a]C)(O)	C(CC[6a]C)(H)2	117.8305	0.136	2	117.8305	0.019	2	118.1110	1.314	5	120.4237	17.086	46	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C-3:C-3:	C-3:N-3:O-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHH)(CNO)	C(CC[6a]C)(NC[6a]H)(O)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CHH)(CNO)	C(CC[6a]C)(NC[6a]H)(O)	C(CC[6a]C)(H)2	116.4930	0.000	1	116.4930	0.000	1	118.1110	1.314	5	120.4237	17.086	46	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C-3:C-3:	C-3:N-3:O-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CHH)(CNO)	C(CC[6a]C)(NHH)(O)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CHH)(CNO)	C(CC[6a]C)(NHH)(O)	C(CC[6a]C)(H)2	119.2005	0.293	2	119.2005	0.086	2	118.1110	1.314	5	120.4237	17.086	46	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:H-1:O-1:	C(C[6a]C[6a]2)(CC[6a]H)(CHO)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(CC[6a]C)(H)(O)	C(C[6a]C[6a]2)(CC[6a]H)(CHO)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(CC[6a]C)(H)(O)	116.3308	0.702	6	116.3308	0.492	6	116.3308	0.492	6	120.4237	17.086	46	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:1:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:H-1:H-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]O)(CHH)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(CC[6a]C)(H)2	C(C[6a]C[6a,6a]C[6a])(CC[6a]O)(CHH)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(CC[6a]C)(H)2	120.5620	0.000	1	120.5620	0.000	1	120.5620	0.000	1	120.4237	17.086	46	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:1:1:	N[6]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-1:O-1:	C(N[6]C[6]2)(CCH)(COO)	C(CN[6]C)(COO)(H)	C(CN[6]C)(O)2	C(N[6]C[6]2)(CCH)(COO)	C(CN[6]C)(COO)(H)	C(CN[6]C)(O)2	124.9209	2.043	14	124.9209	4.173	14	124.9209	4.173	14	120.4237	17.086	46	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:Br-1:	C-3:O-2:O-1:	C(CBrC)(CCC)(COO)	C(CCC)(COO)(Br)	C(CCC)(OC)(O)	C(CBrC)(CCC)(COO)	C(CCC)(COO)(Br)	C(CCC)(OC)(O)	119.4670	2.473	2	119.4670	6.118	2	119.4670	6.118	2	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:Cl-1:	C-3:O-2:O-1:	C(CClC)(CCH)(COO)	C(CCC)(CHH)(Cl)	C(CCC)(OC)(O)	C(CClC)(CCH)(COO)	C(CCC)(CHH)(Cl)	C(CCC)(OC)(O)	119.7670	0.000	1	119.7670	0.000	1	119.7670	0.000	1	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCC)(CCH)(COO)	C(CCC)(CCO)(H)	C(CCC)(OC)(O)	C(CCC)(CCH)(COO)	C(CCC)(CCO)(H)	C(CCC)(OC)(O)	111.1440	0.000	1	111.1440	0.000	1	117.3600	15.847	41	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCC)(CCH)(COO)	C(CCC)(CHS)(H)	C(CCC)(OC)(O)	C(CCC)(CCH)(COO)	C(CCC)(CHS)(H)	C(CCC)(OC)(O)	116.7660	0.000	1	116.7660	0.000	1	117.3600	15.847	41	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCC)(CCH)(COO)	C(CCC)(COO)(H)	C(CCC)(OC)(O)	C(CCC)(CCH)(COO)	C(CCC)(COO)(H)	C(CCC)(OC)(O)	120.6175	0.922	4	120.6175	0.849	4	117.3600	15.847	41	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCC)(CCH)(COO)	C(CC[5]H)(CCC)(H)	C(CCC)(OC)(O)	C(CCC)(CCH)(COO)	C(CC[5]H)(CCC)(H)	C(CCC)(OC)(O)	112.4860	0.000	1	112.4860	0.000	1	117.3600	15.847	41	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCC)(CCH)(COO)	C(CN[5]H)(CCC)(H)	C(CCC)(OC)(O)	C(CCC)(CCH)(COO)	C(CN[5]H)(CCC)(H)	C(CCC)(OC)(O)	111.2070	0.496	2	111.2070	0.246	2	117.3600	15.847	41	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(CHS)(COO)	C(CCoC)(CCC)(H)	C(CCC)(OC)(O)	C(CCH)(CHS)(COO)	C(CCoC)(CCC)(H)	C(CCC)(OC)(O)	115.1635	0.849	2	115.1635	0.721	2	117.3600	15.847	41	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)2(COO)	C(CCC)(CCH)(H)	C(CCC)(OC)(O)	C(CCH)2(COO)	C(CCC)(CCH)(H)	C(CCC)(OC)(O)	117.1660	2.744	2	117.1660	7.527	2	117.3600	15.847	41	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)2(COO)	C(CCC)(CCN)(H)	C(CCC)(OC)(O)	C(CCH)2(COO)	C(CCC)(CCN)(H)	C(CCC)(OC)(O)	113.3140	0.000	1	113.3140	0.000	1	117.3600	15.847	41	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)2(COO)	C(CC[5]H)(CCC)(H)	C(CCC)(OC)(O)	C(CCH)2(COO)	C(CC[5]H)(CCC)(H)	C(CCC)(OC)(O)	115.5853	2.182	4	115.5853	4.761	4	117.3600	15.847	41	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)2(COO)	C(CC[5]O)(CCC)(H)	C(CCC)(OC)(O)	C(CCH)2(COO)	C(CC[5]O)(CCC)(H)	C(CCC)(OC)(O)	115.1330	3.646	2	115.1330	13.292	2	117.3600	15.847	41	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)2(COO)	C(CC[6a]H)(CCC)(H)	C(CCC)(OC)(O)	C(CCH)2(COO)	C(CC[6a]H)(CCC)(H)	C(CCC)(OC)(O)	119.0130	0.000	1	119.0130	0.000	1	117.3600	15.847	41	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)2(COO)	C(CC[6a]N)(CCC)(H)	C(CCC)(OC)(O)	C(CCH)2(COO)	C(CC[6a]N)(CCC)(H)	C(CCC)(OC)(O)	111.5950	0.000	1	111.5950	0.000	1	117.3600	15.847	41	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6]N)(CCH)(COO)	C(CCC)(COO)(H)	C(CCC)(OC)(O)	C(CC[6]N)(CCH)(COO)	C(CCC)(COO)(H)	C(CCC)(OC)(O)	117.0550	0.000	1	117.0550	0.000	1	117.3600	15.847	41	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]C)(CCH)(COO)	C(CCC)(COO)(H)	C(CCC)(OC)(O)	C(CC[6a]C)(CCH)(COO)	C(CCC)(COO)(H)	C(CCC)(OC)(O)	117.8320	0.000	1	117.8320	0.000	1	117.3600	15.847	41	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(CCH)(COO)	C(CC[6a]H)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6a]H)(CCH)(COO)	C(CC[6a]H)(CCC)(H)	C(CCC)(OC)(O)	118.2145	0.083	2	118.2145	0.007	2	117.3600	15.847	41	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]O)(CCH)(COO)	C(CC[5a]O)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6a]O)(CCH)(COO)	C(CC[5a]O)(CCC)(H)	C(CCC)(OC)(O)	118.9770	0.000	1	118.9770	0.000	1	117.3600	15.847	41	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]O)(CCH)(COO)	C(CC[6a]O)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6a]O)(CCH)(COO)	C(CC[6a]O)(CCC)(H)	C(CCC)(OC)(O)	122.5360	0.000	1	122.5360	0.000	1	117.3600	15.847	41	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CClC)(CCH)(COO)	C(CCC)(CCH)(H)	C(CCC)(OC)(O)	C(CClC)(CCH)(COO)	C(CCC)(CCH)(H)	C(CCC)(OC)(O)	117.6170	0.000	1	117.6170	0.000	1	117.3600	15.847	41	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCoH)(CCH)(COO)	C(CCC)(CCS)(H)	C(CCC)(OC)(O)	C(CCoH)(CCH)(COO)	C(CCC)(CCS)(H)	C(CCC)(OC)(O)	113.3820	0.000	1	113.3820	0.000	1	117.3600	15.847	41	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCoH)(CCH)(COO)	C(CSeC)(CCC)(H)	C(CCC)(OC)(O)	C(CCoH)(CCH)(COO)	C(CSeC)(CCC)(H)	C(CCC)(OC)(O)	113.5290	0.000	1	113.5290	0.000	1	117.3600	15.847	41	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(COsC)(CCH)(COO)	C(CC[6a]C)(CCC)(H)	C(CCC)(OC)(O)	C(COsC)(CCH)(COO)	C(CC[6a]C)(CCC)(H)	C(CCC)(OC)(O)	116.3020	0.597	3	116.3020	0.356	3	117.3600	15.847	41	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(COsC)(CCH)(COO)	C(COsC)(CCC)(H)	C(CCC)(OC)(O)	C(COsC)(CCH)(COO)	C(COsC)(CCC)(H)	C(CCC)(OC)(O)	125.1040	4.127	2	125.1040	17.029	2	117.3600	15.847	41	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(COsH)(CCH)(COO)	C(COsC)(CCC)(H)	C(CCC)(OC)(O)	C(COsH)(CCH)(COO)	C(COsC)(CCC)(H)	C(CCC)(OC)(O)	123.0820	1.200	3	123.0820	1.441	3	117.3600	15.847	41	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(COsN)(CCH)(COO)	C(COsC)(CCC)(H)	C(CCC)(OC)(O)	C(COsN)(CCH)(COO)	C(COsC)(CCC)(H)	C(CCC)(OC)(O)	122.4410	0.000	1	122.4410	0.000	1	117.3600	15.847	41	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CRuC)(CCH)(COO)	C(CCC)(CCH)(H)	C(CCC)(OC)(O)	C(CRuC)(CCH)(COO)	C(CCC)(CCH)(H)	C(CCC)(OC)(O)	117.1330	0.000	1	117.1330	0.000	1	117.3600	15.847	41	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:O-1:	C-3:O-2:O-1:	C(CC[5a]H)(CCO)(COO)	C(CCC)(CCH)(O)	C(CCC)(OC)(O)	C(CC[5a]H)(CCO)(COO)	C(CCC)(CCH)(O)	C(CCC)(OC)(O)	115.3435	3.239	2	115.3435	10.493	2	116.4060	8.633	3	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:O-1:	C-3:O-2:O-1:	C(CC[6a]H)(CCO)(COO)	C(CCC)(CCH)(O)	C(CCC)(OH)(O)	C(CC[6a]H)(CCO)(COO)	C(CCC)(CCH)(O)	C(CCC)(OH)(O)	118.5310	0.000	1	118.5310	0.000	1	116.4060	8.633	3	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:N-3:H-1:	C-3:O-2:O-1:	C(CCO)(CHN)(COO)	C(CCC)(NCH)(H)	C(CCC)(OC)(O)	C(CCO)(CHN)(COO)	C(CCC)(NCH)(H)	C(CCC)(OC)(O)	118.1867	0.450	3	118.1867	0.203	3	117.5384	3.290	9	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:N-3:H-1:	C-3:O-2:O-1:	C(CC[6a]C)(CHN)(COO)	C(CCC)(NCC)(H)	C(CCC)(OC)(O)	C(CC[6a]C)(CHN)(COO)	C(CCC)(NCC)(H)	C(CCC)(OC)(O)	119.8890	0.000	1	119.8890	0.000	1	117.5384	3.290	9	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:N-3:H-1:	C-3:O-2:O-1:	C(CC[6a]O)(CHN)(COO)	C(CCC)(NCC)(H)	C(CCC)(OC)(O)	C(CC[6a]O)(CHN)(COO)	C(CCC)(NCC)(H)	C(CCC)(OC)(O)	115.1170	0.000	1	115.1170	0.000	1	117.5384	3.290	9	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:N-3:H-1:	C-3:O-2:O-1:	C(CC[6a]O)(CHN)(COO)	C(CCC)(NCH)(H)	C(CCC)(OC)(O)	C(CC[6a]O)(CHN)(COO)	C(CCC)(NCH)(H)	C(CCC)(OC)(O)	114.3660	0.000	1	114.3660	0.000	1	117.5384	3.290	9	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:N-3:H-1:	C-3:O-2:O-1:	C(CHN)(CNO)(COO)	C(CCC)(NCC)(H)	C(CCC)(OC)(O)	C(CHN)(CNO)(COO)	C(CCC)(NCC)(H)	C(CCC)(OC)(O)	116.7200	0.000	1	116.7200	0.000	1	117.5384	3.290	9	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:N-3:H-1:	C-3:O-2:O-1:	C(CHN)(COO)2	C(CCC)(NHH)(H)	C(CCC)(OC)(O)	C(CHN)(COO)2	C(CCC)(NHH)(H)	C(CCC)(OC)(O)	118.5970	0.540	2	118.5970	0.292	2	117.5384	3.290	9	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:N-3:O-1:	C-3:O-2:O-1:	C(CCO)(CNO)(COO)	C(CCC)(NCH)(O)	C(CCC)(OC)(O)	C(CCO)(CNO)(COO)	C(CCC)(NCH)(O)	C(CCC)(OC)(O)	118.9760	0.000	1	118.9760	0.000	1	118.9760	0.000	1	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C-3:N-3:S-1:	C-3:O-2:O-1:	C(CCP)(CNS)(COO)	C(CCC)(NHH)(S)	C(CCC)(OC)(O)	C(CCP)(CNS)(COO)	C(CCC)(NHH)(S)	C(CCC)(OC)(O)	111.9550	0.000	1	111.9550	0.000	1	111.9550	0.000	1	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C[5]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5]H)(CCC)(COO)	C(C[5]C[5]2)(CCC)(H)	C(CCC)(OC)(O)	C(CC[5]H)(CCC)(COO)	C(C[5]C[5]2)(CCC)(H)	C(CCC)(OC)(O)	112.9740	0.000	1	112.9740	0.000	1	119.1403	43.607	3	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C[5]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5]H)(COO)2	C(C[5]C[5]2)(CCC)(H)	C(CCC)(OC)(O)	C(CC[5]H)(COO)2	C(C[5]C[5]2)(CCC)(H)	C(CCC)(OC)(O)	122.2235	5.494	2	122.2235	30.179	2	119.1403	43.607	3	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(CCC)(COO)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CCC)(OC)(O)	C(CC[5a]H)(CCC)(COO)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CCC)(OC)(O)	116.6600	0.331	2	116.6600	0.110	2	121.3490	8.012	23	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(CCO)(COO)	C(C[5a]C[5a,6a]C[5a])(CCC)(H)	C(CCC)(OC)(O)	C(CC[5a]H)(CCO)(COO)	C(C[5a]C[5a,6a]C[5a])(CCC)(H)	C(CCC)(OC)(O)	123.1740	0.000	1	123.1740	0.000	1	121.3490	8.012	23	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(CCO)(COO)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CCC)(OC)(O)	C(CC[5a]H)(CCO)(COO)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CCC)(OC)(O)	122.5490	0.000	1	122.5490	0.000	1	121.3490	8.012	23	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(COO)2	C(C[5a]C[5a,6a]C[5a,6])(CCC)(H)	C(CCC)(OC)(O)	C(CC[5a]H)(COO)2	C(C[5a]C[5a,6a]C[5a,6])(CCC)(H)	C(CCC)(OC)(O)	120.9650	4.182	2	120.9650	17.488	2	121.3490	8.012	23	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(COO)2	C(C[5a]C[5a,6a]C[5a])(CCC)(H)	C(CCC)(OC)(O)	C(CC[5a]H)(COO)2	C(C[5a]C[5a,6a]C[5a])(CCC)(H)	C(CCC)(OC)(O)	121.8915	2.391	6	121.8915	5.716	6	121.3490	8.012	23	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(COO)2	C(C[5a]C[5a]2)(CCC)(H)	C(CCC)(OC)(O)	C(CC[5a]H)(COO)2	C(C[5a]C[5a]2)(CCC)(H)	C(CCC)(OC)(O)	121.1685	2.903	2	121.1685	8.426	2	121.3490	8.012	23	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(COO)2	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CCC)(OC)(O)	C(CC[5a]H)(COO)2	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CCC)(OC)(O)	122.0202	3.304	6	122.0202	10.915	6	121.3490	8.012	23	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(COO)2	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CCC)(OH)(O)	C(CC[5a]H)(COO)2	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CCC)(OH)(O)	121.4500	0.000	1	121.4500	0.000	1	121.3490	8.012	23	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(COO)2	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CCC)(OC)(O)	C(CC[5a]H)(COO)2	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CCC)(OC)(O)	121.3990	3.674	2	121.3990	13.499	2	121.3490	8.012	23	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C[5a]-3:C-3:O-1:	C-3:O-2:O-1:	C(CC[5a]O)(CN[6]C)(COO)	C(C[5a]C[5a]S[5a])(CCC)(O)	C(CCC)(OC)(O)	C(CC[5a]O)(CN[6]C)(COO)	C(C[5a]C[5a]S[5a])(CCC)(O)	C(CCC)(OC)(O)	114.1860	1.290	2	114.1860	1.663	2	114.1860	1.663	2	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C[6]-3:C-3:O-1:	C-3:O-2:O-1:	C(CC[6a]H)(CC[6]O)(COO)	C(C[6]C[6]O[6])(CCC)(O)	C(CCC)(OC)(O)	C(CC[6a]H)(CC[6]O)(COO)	C(C[6]C[6]O[6])(CCC)(O)	C(CCC)(OC)(O)	116.6500	0.000	1	116.6500	0.000	1	116.6500	0.000	1	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(CCC)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OH)(O)	C(CC[6a]H)(CCC)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OH)(O)	117.8025	2.090	2	117.8025	4.366	2	120.9279	9.625	38	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(CCH)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6a]H)(CCH)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	118.0520	0.477	2	118.0520	0.227	2	120.9279	9.625	38	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(CCO)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6a]H)(CCO)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	123.2190	0.515	6	123.2190	0.265	6	120.9279	9.625	38	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(CCO)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OH)(O)	C(CC[6a]H)(CCO)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OH)(O)	114.3210	0.000	1	114.3210	0.000	1	120.9279	9.625	38	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(CC[5]C)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6a]H)(CC[5]C)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	122.5130	0.000	1	122.5130	0.000	1	120.9279	9.625	38	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(CC[6]O)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6a]H)(CC[6]O)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	119.2250	0.000	1	119.2250	0.000	1	120.9279	9.625	38	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6a]H)(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	120.0885	1.825	2	120.0885	3.331	2	120.9279	9.625	38	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(CNN)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6a]H)(CNN)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	117.1270	0.054	2	117.1270	0.003	2	120.9279	9.625	38	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(CN[6]O)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6a]H)(CN[6]O)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	122.2770	0.000	1	122.2770	0.000	1	120.9279	9.625	38	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(COO)2	C(C[6a]C[6a,6a]2)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6a]H)(COO)2	C(C[6a]C[6a,6a]2)(CCC)(H)	C(CCC)(OC)(O)	121.1352	2.286	6	121.1352	5.227	6	120.9279	9.625	38	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(COO)2	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6a]H)(COO)2	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	121.7615	3.530	14	121.7615	12.460	14	120.9279	9.625	38	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:O-2:O-1:	C(CC[5a]C)(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(OC)(O)	C(CC[5a]C)(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(OC)(O)	116.0580	0.000	1	116.0580	0.000	1	117.2386	12.803	28	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:O-2:O-1:	C(CC[6a]H)(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(OC)(O)	C(CC[6a]H)(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(OC)(O)	114.0155	2.723	2	114.0155	7.415	2	117.2386	12.803	28	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:O-2:O-1:	C(CC[6a]O)(CCC)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(OC)(O)	C(CC[6a]O)(CCC)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(OC)(O)	118.4674	3.785	9	118.4674	14.324	9	117.2386	12.803	28	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:O-2:O-1:	C(CC[6a]O)(CCH)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(OC)(O)	C(CC[6a]O)(CCH)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(OC)(O)	114.3275	3.074	2	114.3275	9.448	2	117.2386	12.803	28	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:O-2:O-1:	C(CC[6a]O)(CCN)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(OC)(O)	C(CC[6a]O)(CCN)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(OC)(O)	119.4230	0.000	2	119.4230	0.000	2	117.2386	12.803	28	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:O-2:O-1:	C(CC[6a]O)(CCP)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(OC)(O)	C(CC[6a]O)(CCP)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(OC)(O)	116.1770	0.000	1	116.1770	0.000	1	117.2386	12.803	28	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:O-2:O-1:	C(CC[6a]O)(CCS)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(OC)(O)	C(CC[6a]O)(CCS)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(OC)(O)	116.4490	0.000	1	116.4490	0.000	1	117.2386	12.803	28	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:O-2:O-1:	C(CC[6a]O)(CHN)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(OC)(O)	C(CC[6a]O)(CHN)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(OC)(O)	122.7467	2.620	3	122.7467	6.867	3	117.2386	12.803	28	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:O-2:O-1:	C(CC[6a]O)(CN[6]C)(COO)	C(C[6a]C[6a,6a]C[6a])(CCC)(O)	C(CCC)(OC)(O)	C(CC[6a]O)(CN[6]C)(COO)	C(C[6a]C[6a,6a]C[6a])(CCC)(O)	C(CCC)(OC)(O)	115.7840	0.000	1	115.7840	0.000	1	117.2386	12.803	28	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:O-2:O-1:	C(CC[6a]O)(CN[6]C)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(OC)(O)	C(CC[6a]O)(CN[6]C)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(OC)(O)	114.7057	0.986	6	114.7057	0.973	6	117.2386	12.803	28	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	N-3:C-3:H-1:	C-3:O-2:O-1:	C(CCC)(CHN)(COO)	C(NC[6a]C)(CCC)(H)	C(CCC)(OC)(O)	C(CCC)(CHN)(COO)	C(NC[6a]C)(CCC)(H)	C(CCC)(OC)(O)	113.9670	0.000	1	113.9670	0.000	1	117.3188	6.038	58	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	N-3:C-3:H-1:	C-3:O-2:O-1:	C(CCC)(CHN)(COO)	C(NC[6a]H)(CCC)(H)	C(CCC)(OC)(O)	C(CCC)(CHN)(COO)	C(NC[6a]H)(CCC)(H)	C(CCC)(OC)(O)	117.5630	0.000	1	117.5630	0.000	1	117.3188	6.038	58	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	N-3:C-3:H-1:	C-3:O-2:O-1:	C(CCN)(CHN)(COO)	C(NC[6a]H)(CCC)(H)	C(CCC)(OC)(O)	C(CCN)(CHN)(COO)	C(NC[6a]H)(CCC)(H)	C(CCC)(OC)(O)	115.8550	0.000	1	115.8550	0.000	1	117.3188	6.038	58	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	N-3:C-3:H-1:	C-3:O-2:O-1:	C(CCO)(CHN)(COO)	C(NC[6a]Fe)(CCC)(H)	C(CCC)(OC)(O)	C(CCO)(CHN)(COO)	C(NC[6a]Fe)(CCC)(H)	C(CCC)(OC)(O)	115.5622	2.847	6	115.5622	8.107	6	117.3188	6.038	58	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	N-3:C-3:H-1:	C-3:O-2:O-1:	C(CCO)(CHN)(COO)	C(NC[6a]H)(CCC)(H)	C(CCC)(OC)(O)	C(CCO)(CHN)(COO)	C(NC[6a]H)(CCC)(H)	C(CCC)(OC)(O)	117.6968	0.510	4	117.6968	0.260	4	117.3188	6.038	58	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	N-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]O)(CHN)(COO)	C(NC[6a]H)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6a]O)(CHN)(COO)	C(NC[6a]H)(CCC)(H)	C(CCC)(OC)(O)	120.0950	0.000	1	120.0950	0.000	1	117.3188	6.038	58	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	N-3:C-3:H-1:	C-3:O-2:O-1:	C(CHN)(CNO)(COO)	C(NC[6a]H)(CCC)(H)	C(CCC)(OC)(O)	C(CHN)(CNO)(COO)	C(NC[6a]H)(CCC)(H)	C(CCC)(OC)(O)	117.1520	0.000	1	117.1520	0.000	1	117.3188	6.038	58	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	N-3:C-3:H-1:	C-3:O-2:O-1:	C(CHN)(COO)2	C(NC[6a]Cu)(CCC)(H)	C(CCC)(OC)(O)	C(CHN)(COO)2	C(NC[6a]Cu)(CCC)(H)	C(CCC)(OC)(O)	114.9655	3.256	2	114.9655	10.603	2	117.3188	6.038	58	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	N-3:C-3:H-1:	C-3:O-2:O-1:	C(CHN)(COO)2	C(NC[6a]H)(CCC)(H)	C(CCC)(OC)(O)	C(CHN)(COO)2	C(NC[6a]H)(CCC)(H)	C(CCC)(OC)(O)	117.6649	2.104	21	117.6649	4.428	21	117.3188	6.038	58	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	N-3:C-3:H-1:	C-3:O-2:O-1:	C(CHN)(COO)2	C(NC[6a]H)(CCC)(H)	C(CCC)(OH)(O)	C(CHN)(COO)2	C(NC[6a]H)(CCC)(H)	C(CCC)(OH)(O)	120.9933	0.175	3	120.9933	0.031	3	117.3188	6.038	58	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	N-3:C-3:H-1:	C-3:O-2:O-1:	C(CHN)(COO)2	C(NC[6a]Zn)(CCC)(H)	C(CCC)(OC)(O)	C(CHN)(COO)2	C(NC[6a]Zn)(CCC)(H)	C(CCC)(OC)(O)	115.5955	2.448	4	115.5955	5.993	4	117.3188	6.038	58	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	N-3:C-3:H-1:	C-3:O-2:O-1:	C(CHN)(COO)2	C(NCuC)(CCC)(H)	C(CCC)(OC)(O)	C(CHN)(COO)2	C(NCuC)(CCC)(H)	C(CCC)(OC)(O)	114.7830	0.000	1	114.7830	0.000	1	117.3188	6.038	58	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	N-3:C-3:H-1:	C-3:O-2:O-1:	C(CHN)2(COO)	C(NCuC)(CCC)(H)	C(CCC)(OC)(O)	C(CHN)2(COO)	C(NCuC)(CCC)(H)	C(CCC)(OC)(O)	117.8883	2.506	12	117.8883	6.281	12	117.3188	6.038	58	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	N-3:C-3:O-1:	C-3:O-2:O-1:	C(CCO)(CNO)(COO)	C(NC[6a]H)(CCC)(O)	C(CCC)(OC)(O)	C(CCO)(CNO)(COO)	C(NC[6a]H)(CCC)(O)	C(CCC)(OC)(O)	119.7370	0.000	1	119.7370	0.000	1	119.4020	9.432	3	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	N-3:C-3:O-1:	C-3:O-2:O-1:	C(CHN)(CNO)(COO)	C(NC[6a]C)(CCC)(O)	C(CCC)(OC)(O)	C(CHN)(CNO)(COO)	C(NC[6a]C)(CCC)(O)	C(CCC)(OC)(O)	116.1770	0.000	1	116.1770	0.000	1	119.4020	9.432	3	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	N-3:C-3:O-1:	C-3:O-2:O-1:	C(CHN)(CNO)(COO)	C(NC[6a]H)(CCC)(O)	C(CCC)(OC)(O)	C(CHN)(CNO)(COO)	C(NC[6a]H)(CCC)(O)	C(CCC)(OC)(O)	122.2920	0.000	1	122.2920	0.000	1	119.4020	9.432	3	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	N[6]-3:C-3:O-1:	C-3:O-2:O-1:	C(CC[6a]H)(CN[6]O)(COO)	C(N[6]C[6]2)(CCC)(O)	C(CCC)(OC)(O)	C(CC[6a]H)(CN[6]O)(COO)	C(N[6]C[6]2)(CCC)(O)	C(CCC)(OC)(O)	113.6150	0.000	1	113.6150	0.000	1	113.6150	0.000	1	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:C-3:	S-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(CHS)(COO)	C(SC[5x3,5x5,20x6]Co)(CCC)(H)	C(CCC)(OC)(O)	C(CCH)(CHS)(COO)	C(SC[5x3,5x5,20x6]Co)(CCC)(H)	C(CCC)(OC)(O)	116.9420	0.325	2	116.9420	0.106	2	116.9420	0.106	2	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:N-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(NCH)	C(CCC)(CCN)(H)	C(CCN)(OC)(O)	C(CCH)(COO)(NCH)	C(CCC)(CCN)(H)	C(CCN)(OC)(O)	120.9500	0.000	1	120.9500	0.000	1	121.5188	2.943	6	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:N-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(NCH)	C(CCH)(CCN)(H)	C(CCN)(OC)(O)	C(CCH)(COO)(NCH)	C(CCH)(CCN)(H)	C(CCN)(OC)(O)	121.2420	2.755	2	121.2420	7.589	2	121.5188	2.943	6	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:N-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(NCN)	C(CCN)(COO)(H)	C(CCN)(OC)(O)	C(CCH)(COO)(NCN)	C(CCN)(COO)(H)	C(CCN)(OC)(O)	121.3115	2.050	2	121.3115	4.202	2	121.5188	2.943	6	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:N-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(NCO)	C(CCN)(CCO)(H)	C(CCN)(OC)(O)	C(CCH)(COO)(NCO)	C(CCN)(CCO)(H)	C(CCN)(OC)(O)	123.0560	0.000	1	123.0560	0.000	1	121.5188	2.943	6	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:N-3:	C[5a]-3:C-3:H-1:	C-3:N-2:O-1:	C(CC[5a]H)(CNO)(NCH)	C(C[5a]C[5a]S[5a])(CCN)(H)	C(CCN)(NN)(O)	C(CC[5a]H)(CNO)(NCH)	C(C[5a]C[5a]S[5a])(CCN)(H)	C(CCN)(NN)(O)	119.7420	0.000	1	119.7420	0.000	1	119.7420	0.000	1	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:N-3:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(COO)(NCH)	C(C[5a]C[5a,6a]C[5a])(CCN)(H)	C(CCN)(OC)(O)	C(CC[5a]H)(COO)(NCH)	C(C[5a]C[5a,6a]C[5a])(CCN)(H)	C(CCN)(OC)(O)	123.3360	0.000	1	123.3360	0.000	1	123.2015	0.036	2	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:N-3:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(COO)(NCH)	C(C[5a]C[5a]S[5a])(CCN)(H)	C(CCN)(OC)(O)	C(CC[5a]H)(COO)(NCH)	C(C[5a]C[5a]S[5a])(CCN)(H)	C(CCN)(OC)(O)	123.0670	0.000	1	123.0670	0.000	1	123.2015	0.036	2	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:N-3:	C[6a]-3:C-3:Br-1:	C-3:O-2:O-1:	C(CC[6a]Br)(COO)(NCH)	C(C[6a]C[6a]2)(CCN)(Br)	C(CCN)(OC)(O)	C(CC[6a]Br)(COO)(NCH)	C(C[6a]C[6a]2)(CCN)(Br)	C(CCN)(OC)(O)	120.8920	0.000	1	120.8920	0.000	1	120.8920	0.000	1	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:N-3:	C[6a]-3:C-3:D-1:	C-3:O-2:O-1:	C(CC[6a]D)(COO)(NCH)	C(C[6a]C[6a]2)(CCN)(D)	C(CCN)(OH)(O)	C(CC[6a]D)(COO)(NCH)	C(C[6a]C[6a]2)(CCN)(D)	C(CCN)(OH)(O)	121.3330	0.000	1	121.3330	0.000	1	121.3330	0.000	1	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:N-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(COO)(NCH)	C(C[6a]C[6a]2)(CCN)(H)	C(CCN)(OH)(O)	C(CC[6a]H)(COO)(NCH)	C(C[6a]C[6a]2)(CCN)(H)	C(CCN)(OH)(O)	119.5663	1.929	3	119.5663	3.719	3	119.1462	3.592	5	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:N-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(COO)(NCH)	C(C[6a]C[6a]N[6a])(CCN)(H)	C(CCN)(OC)(O)	C(CC[6a]H)(COO)(NCH)	C(C[6a]C[6a]N[6a])(CCN)(H)	C(CCN)(OC)(O)	116.8420	0.000	1	116.8420	0.000	1	119.1462	3.592	5	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:C-3:N-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(COO)(NCO)	C(C[6a]C[6a]2)(CCN)(H)	C(CCN)(OC)(O)	C(CC[6a]H)(COO)(NCO)	C(C[6a]C[6a]2)(CCN)(H)	C(CCN)(OC)(O)	120.1900	0.000	1	120.1900	0.000	1	119.1462	3.592	5	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C-3:N-3:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(NC[6a]H)(COO)	C(C[6a]C[6a]N[6a])(CCN)(H)	C(CCN)(OC)(O)	C(CC[6a]H)(NC[6a]H)(COO)	C(C[6a]C[6a]N[6a])(CCN)(H)	C(CCN)(OC)(O)	119.3270	0.727	2	119.3270	0.528	2	119.3270	0.528	2	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[5]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(C[5]C[5]2)(CCH)(COO)	C(CC[5]C)(COO)(H)	C(CC[5]C)(OC)(O)	C(C[5]C[5]2)(CCH)(COO)	C(CC[5]C)(COO)(H)	C(CC[5]C)(OC)(O)	118.0465	0.436	2	118.0465	0.190	2	118.0465	0.190	2	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[5]-3:C-3:C-3:	C-3:C-3:O-1:	C-3:O-2:O-1:	C(C[5]C[5,6a]C[5])(CCO)(COO)	C(CC[5]C)(COO)(O)	C(CC[5]C)(OC)(O)	C(C[5]C[5,6a]C[5])(CCO)(COO)	C(CC[5]C)(COO)(O)	C(CC[5]C)(OC)(O)	114.9645	1.651	2	114.9645	2.726	2	114.9645	2.726	2	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[5]-3:C-3:C-3:	C-3:C-3:S-1:	C-3:O-2:O-1:	C(C[5]N[5]2)(CCS)(COO)	C(CC[5]C)(COO)(S)	C(CC[5]C)(OC)(O)	C(C[5]N[5]2)(CCS)(COO)	C(CC[5]C)(COO)(S)	C(CC[5]C)(OC)(O)	122.0770	0.000	1	122.0770	0.000	1	122.0770	0.000	1	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[5]-3:C-3:C-3:	C-3:N-3:O-1:	C-3:O-2:O-1:	C(C[5]C[5]2)(CNO)(COO)	C(CC[5]C)(NHH)(O)	C(CC[5]C)(OC)(O)	C(C[5]C[5]2)(CNO)(COO)	C(CC[5]C)(NHH)(O)	C(CC[5]C)(OC)(O)	109.8405	1.394	2	109.8405	1.942	2	109.8405	1.942	2	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[5]-3:C-3:C-3:	C[5]-3:C-3:H-1:	C-3:O-2:O-1:	C(C[5]C[5,6a]C[5])(CC[5]H)(COO)	C(C[5]C[5]N[5])(CC[5]C)(H)	C(CC[5]C)(OC)(O)	C(C[5]C[5,6a]C[5])(CC[5]H)(COO)	C(C[5]C[5]N[5])(CC[5]C)(H)	C(CC[5]C)(OC)(O)	119.8552	0.805	4	119.8552	0.648	4	119.8552	0.648	4	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[5]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:O-2:O-1:	C(C[5]C[5]N[5])(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CC[5]C)(O)	C(CC[5]C)(OC)(O)	C(C[5]C[5]N[5])(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CC[5]C)(O)	C(CC[5]C)(OC)(O)	115.1980	0.000	1	115.1980	0.000	1	115.1980	0.000	1	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[5]-3:C-3:C-3:	N-3:C-3:H-1:	C-3:N-2:H-1:	C(C[5]C[5]N[5])(CHN)2	C(NC[6a]H)(CC[5]C)(H)	C(CC[5]C)(NC[6a])(H)	C(C[5]C[5]N[5])(CHN)2	C(NC[6a]H)(CC[5]C)(H)	C(CC[5]C)(NC[6a])(H)	122.2115	0.536	4	122.2115	0.288	4	122.2115	0.288	4	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(C[5a]C[5a,5a]N[5a])(CCH)(COO)	C(CC[5a]C)(COO)(H)	C(CC[5a]C)(OC)(O)	C(C[5a]C[5a,5a]N[5a])(CCH)(COO)	C(CC[5a]C)(COO)(H)	C(CC[5a]C)(OC)(O)	122.5580	0.000	1	122.5580	0.000	1	118.8700	13.470	3	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(C[5a]C[5a,6a]S[5a])(CCH)(COO)	C(CC[5a]C)(COO)(H)	C(CC[5a]C)(OC)(O)	C(C[5a]C[5a,6a]S[5a])(CCH)(COO)	C(CC[5a]C)(COO)(H)	C(CC[5a]C)(OC)(O)	118.8340	0.000	1	118.8340	0.000	1	118.8700	13.470	3	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(C[5a]C[5a]S[5a])(CCH)(COO)	C(CC[5a]C)(COO)(H)	C(CC[5a]C)(OC)(O)	C(C[5a]C[5a]S[5a])(CCH)(COO)	C(CC[5a]C)(COO)(H)	C(CC[5a]C)(OC)(O)	115.2180	0.000	1	115.2180	0.000	1	118.8700	13.470	3	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C-3:C-3:	C-3:N-3:H-1:	C-3:N-2:H-1:	C(C[5a]C[5a]N[5a])(CHN)2	C(CC[5a]C)(NCS)(H)	C(CC[5a]C)(NS)(H)	C(C[5a]C[5a]N[5a])(CHN)2	C(CC[5a]C)(NCS)(H)	C(CC[5a]C)(NS)(H)	111.7020	0.000	1	111.7020	0.000	1	111.7020	0.000	1	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C-3:C-3:	C-3:N-3:H-1:	C-3:O-2:O-1:	C(C[5a]C[5a]N[5a])(CHN)(COO)	C(CC[5a]C)(NCH)(H)	C(CC[5a]C)(OC)(O)	C(C[5a]C[5a]N[5a])(CHN)(COO)	C(CC[5a]C)(NCH)(H)	C(CC[5a]C)(OC)(O)	116.6365	0.155	2	116.6365	0.024	2	116.0100	1.189	3	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C-3:C-3:	C-3:N-3:H-1:	C-3:O-2:O-1:	C(C[5a]N[5a]2)(CHN)(COO)	C(CC[5a]C)(NCH)(H)	C(CC[5a]C)(OC)(O)	C(C[5a]N[5a]2)(CHN)(COO)	C(CC[5a]C)(NCH)(H)	C(CC[5a]C)(OC)(O)	114.7570	0.000	1	114.7570	0.000	1	116.0100	1.189	3	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C-3:C-3:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(C[5a]C[5a]N[5a])(CC[5a]H)(COO)	C(C[5a]C[5a,6a]C[5a])(CC[5a]C)(H)	C(CC[5a]C)(OC)(O)	C(C[5a]C[5a]N[5a])(CC[5a]H)(COO)	C(C[5a]C[5a,6a]C[5a])(CC[5a]C)(H)	C(CC[5a]C)(OC)(O)	118.8600	0.000	1	118.8600	0.000	1	118.8600	0.000	1	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(C[5a]C[5a]N[5a])(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(CC[5a]C)(OC)(O)	C(C[5a]C[5a]N[5a])(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(CC[5a]C)(OC)(O)	116.7283	1.058	3	116.7283	1.119	3	116.7283	1.119	3	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C-3:C-3:	N[5]-3:C-3:H-1:	C-3:O-2:O-1:	C(C[5a]C[5a]N[5a])(CN[5]H)(COO)	C(N[5]C[5]2)(CC[5a]C)(H)	C(CC[5a]C)(OC)(O)	C(C[5a]C[5a]N[5a])(CN[5]H)(COO)	C(N[5]C[5]2)(CC[5a]C)(H)	C(CC[5a]C)(OC)(O)	115.7915	0.613	2	115.7915	0.376	2	115.7915	0.376	2	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(C[6]S[6]2)(CCH)(COO)	C(CC[6]C)(CSnH)(H)	C(CC[6]C)(OC)(O)	C(C[6]S[6]2)(CCH)(COO)	C(CC[6]C)(CSnH)(H)	C(CC[6]C)(OC)(O)	117.7920	0.000	1	117.7920	0.000	1	117.7920	0.000	1	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CCH)(COO)	C(CC[6a]C)(CCH)(H)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CCH)(COO)	C(CC[6a]C)(CCH)(H)	C(CC[6a]C)(OC)(O)	118.4875	3.167	2	118.4875	10.031	2	118.0135	3.685	4	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CCH)(COO)	C(CC[6a]C)(CC[6a]O)(H)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CCH)(COO)	C(CC[6a]C)(CC[6a]O)(H)	C(CC[6a]C)(OC)(O)	117.2880	0.000	1	117.2880	0.000	1	118.0135	3.685	4	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CCH)(COO)	C(CC[6a]C)(COO)(H)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CCH)(COO)	C(CC[6a]C)(COO)(H)	C(CC[6a]C)(OC)(O)	117.7910	0.000	1	117.7910	0.000	1	118.0135	3.685	4	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C-3:C-3:	C-3:N-3:H-1:	C-3:C-2:O-1:	C(C[6a]C[6a]2)(CCO)(CHN)	C(CC[6a]C)(NC[6a]H)(H)	C(CC[6a]C)(CC)(O)	C(C[6a]C[6a]2)(CCO)(CHN)	C(CC[6a]C)(NC[6a]H)(H)	C(CC[6a]C)(CC)(O)	118.8980	0.000	1	118.8980	0.000	1	118.8980	0.000	1	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C-3:C-3:	C-3:N-3:H-1:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(CHN)2	C(CC[6a]C)(NC[6a]H)(H)	C(CC[6a]C)(NC[6a])(H)	C(C[6a]C[6a]2)(CHN)2	C(CC[6a]C)(NC[6a]H)(H)	C(CC[6a]C)(NC[6a])(H)	120.9580	0.000	1	120.9580	0.000	1	122.1110	2.659	2	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C-3:C-3:	C-3:N-3:H-1:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(CHN)2	C(CC[6a]C)(NHS)(H)	C(CC[6a]C)(NN)(H)	C(C[6a]C[6a]2)(CHN)2	C(CC[6a]C)(NHS)(H)	C(CC[6a]C)(NN)(H)	123.2640	0.000	1	123.2640	0.000	1	122.1110	2.659	2	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C-3:C-3:	C-3:N-3:H-1:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CHN)(COO)	C(CC[6a]C)(NCC)(H)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CHN)(COO)	C(CC[6a]C)(NCC)(H)	C(CC[6a]C)(OC)(O)	114.4210	0.256	6	114.4210	0.066	6	117.0374	9.480	14	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C-3:C-3:	C-3:N-3:H-1:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CHN)(COO)	C(CC[6a]C)(NCS)(H)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CHN)(COO)	C(CC[6a]C)(NCS)(H)	C(CC[6a]C)(OC)(O)	114.2310	0.000	1	114.2310	0.000	1	117.0374	9.480	14	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C-3:C-3:	C-3:N-3:H-1:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CHN)(COO)	C(CC[6a]C)(NC[6a]H)(H)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CHN)(COO)	C(CC[6a]C)(NC[6a]H)(H)	C(CC[6a]C)(OC)(O)	119.1420	0.341	4	119.1420	0.116	4	117.0374	9.480	14	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C-3:C-3:	C-3:N-3:H-1:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CHN)(COO)	C(CC[6a]C)(NOO)(H)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CHN)(COO)	C(CC[6a]C)(NOO)(H)	C(CC[6a]C)(OC)(O)	122.3135	0.025	2	122.3135	0.001	2	117.0374	9.480	14	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C-3:C-3:	C-3:N-3:H-1:	C-3:O-2:O-1:	C(C[6a]N[5a,6a]C[6a])(CHN)(COO)	C(CC[6a]C)(NCC)(H)	C(CC[6a]C)(OC)(O)	C(C[6a]N[5a,6a]C[6a])(CHN)(COO)	C(CC[6a]C)(NCC)(H)	C(CC[6a]C)(OC)(O)	116.5710	0.000	1	116.5710	0.000	1	117.0374	9.480	14	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C-3:C-3:	C-3:N-3:O-1:	C-3:C-2:H-1:	C(C[6a]C[6a]2)(CCH)(CNO)	C(CC[6a]C)(NHS)(O)	C(CC[6a]C)(CC)(H)	C(C[6a]C[6a]2)(CCH)(CNO)	C(CC[6a]C)(NHS)(O)	C(CC[6a]C)(CC)(H)	115.4920	0.000	1	115.4920	0.000	1	115.4920	0.000	1	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C-3:C-3:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CC[5a]H)(COO)	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CC[5a]H)(COO)	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	C(CC[6a]C)(OC)(O)	119.4920	0.000	1	119.4920	0.000	1	119.8663	0.504	3	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C-3:C-3:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CC[5a]H)(COO)	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	C(CC[6a]C)(OH)(O)	C(C[6a]C[6a]2)(CC[5a]H)(COO)	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	C(CC[6a]C)(OH)(O)	120.0535	0.893	2	120.0535	0.798	2	119.8663	0.504	3	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C-3:C-3:	C[5a]-3:C-3:O-1:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(CC[5a]O)(CHO)	C(C[5a]C[5a]S[5a])(CC[6a]C)(O)	C(CC[6a]C)(OH)(H)	C(C[6a]C[6a]2)(CC[5a]O)(CHO)	C(C[5a]C[5a]S[5a])(CC[6a]C)(O)	C(CC[6a]C)(OH)(H)	118.2130	1.564	2	118.2130	2.446	2	118.2130	2.446	2	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(CC[6a]C)(OC)(O)	116.2310	0.758	2	116.2310	0.575	2	118.8189	4.893	23	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(CC[6a]C)(OH)(O)	C(C[6a]C[6a,6a]C[6a])(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(CC[6a]C)(OH)(O)	116.4350	0.321	2	116.4350	0.103	2	118.8189	4.893	23	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C(C[6a]C[5,6a]C[6a])(CC[6a]C)(H)	C(CC[6a]C)(OH)(O)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C(C[6a]C[5,6a]C[6a])(CC[6a]C)(H)	C(CC[6a]C)(OH)(O)	118.9035	0.081	2	118.9035	0.007	2	118.8189	4.893	23	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(CC[6a]C)(OC)(O)	119.3833	3.847	3	119.3833	14.802	3	118.8189	4.893	23	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(CC[6a]C)(OH)(O)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(CC[6a]C)(OH)(O)	119.3496	1.970	13	119.3496	3.882	13	118.8189	4.893	23	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C(C[6a]C[6a]N[6a])(CC[6a]C)(H)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CC[6a]H)(COO)	C(C[6a]C[6a]N[6a])(CC[6a]C)(H)	C(CC[6a]C)(OC)(O)	120.0010	0.000	1	120.0010	0.000	1	118.8189	4.893	23	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C-3:C-3:	N-3:C-3:H-1:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(CHN)2	C(NC[6a]As)(CC[6a]C)(H)	C(CC[6a]C)(NC[6a])(H)	C(C[6a]C[6a]2)(CHN)2	C(NC[6a]As)(CC[6a]C)(H)	C(CC[6a]C)(NC[6a])(H)	122.9255	0.643	2	122.9255	0.413	2	122.9255	0.413	2	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C-3:C-3:	N[5]-3:C-3:H-1:	C-3:O-2:O-1:	C(C[6a]C[5,6a]C[6a])(CN[5]H)(COO)	C(N[5]C[5]2)(CC[6a]C)(H)	C(CC[6a]C)(OC)(O)	C(C[6a]C[5,6a]C[6a])(CN[5]H)(COO)	C(N[5]C[5]2)(CC[6a]C)(H)	C(CC[6a]C)(OC)(O)	120.3330	0.291	3	120.3330	0.084	3	120.3330	0.084	3	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	Ge[6]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(Ge[6]N[6]2)(CCH)(COO)	C(CGe[6]C)(COO)(H)	C(CGe[6]C)(OC)(O)	C(Ge[6]N[6]2)(CCH)(COO)	C(CGe[6]C)(COO)(H)	C(CGe[6]C)(OC)(O)	112.9163	0.814	3	112.9163	0.662	3	112.9163	0.662	3	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(NC[6a]C)(CCH)(COO)	C(CCN)(COO)(H)	C(CCN)(OC)(O)	C(NC[6a]C)(CCH)(COO)	C(CCN)(COO)(H)	C(CCN)(OC)(O)	122.2150	0.000	1	122.2150	0.000	1	118.6077	10.474	3	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(NC[6a]H)(CCH)(COO)	C(CCN)(COO)(H)	C(CCN)(OC)(O)	C(NC[6a]H)(CCH)(COO)	C(CCN)(COO)(H)	C(CCN)(OC)(O)	115.9590	0.000	1	115.9590	0.000	1	118.6077	10.474	3	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(NC[6a]H)(CCH)(COO)	C(CC[5]O)(CCN)(H)	C(CCN)(OC)(O)	C(NC[6a]H)(CCH)(COO)	C(CC[5]O)(CCN)(H)	C(CCN)(OC)(O)	117.6490	0.000	1	117.6490	0.000	1	118.6077	10.474	3	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	N[4]-3:C-3:C-3:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(N[4]C[4,5]C[4])(CC[5a]H)(COO)	C(C[5a]C[5a]N[5a])(CN[4]C)(H)	C(CN[4]C)(OC)(O)	C(N[4]C[4,5]C[4])(CC[5a]H)(COO)	C(C[5a]C[5a]N[5a])(CN[4]C)(H)	C(CN[4]C)(OC)(O)	121.5860	0.000	1	121.5860	0.000	1	121.5860	0.000	1	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	N[5]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(N[5]C[5]2)(CCH)(COO)	C(CN[5]C)(CCH)(H)	C(CN[5]C)(OC)(O)	C(N[5]C[5]2)(CCH)(COO)	C(CN[5]C)(CCH)(H)	C(CN[5]C)(OC)(O)	117.8720	0.000	1	117.8720	0.000	1	119.1041	0.913	7	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	N[5]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(N[5]C[5]2)(CCH)(COO)	C(CN[5]C)(COO)(H)	C(CN[5]C)(OC)(O)	C(N[5]C[5]2)(CCH)(COO)	C(CN[5]C)(COO)(H)	C(CN[5]C)(OC)(O)	119.3095	0.861	6	119.3095	0.741	6	119.1041	0.913	7	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	N[5a]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(N[5a]C[5a]2)(CCH)(COO)	C(CN[5a]C)(COO)(H)	C(CN[5a]C)(OC)(O)	C(N[5a]C[5a]2)(CCH)(COO)	C(CN[5a]C)(COO)(H)	C(CN[5a]C)(OC)(O)	122.9850	0.000	1	122.9850	0.000	1	122.9850	0.000	1	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	N[5a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(N[5a]C[5a,6a]N[5a])(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CN[5a]C)(H)	C(CN[5a]C)(OC)(O)	C(N[5a]C[5a,6a]N[5a])(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CN[5a]C)(H)	C(CN[5a]C)(OC)(O)	121.6745	2.450	4	121.6745	6.001	4	121.3894	4.908	5	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	N[5a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(N[5a]N[5a]2)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CN[5a]C)(H)	C(CN[5a]C)(OC)(O)	C(N[5a]N[5a]2)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CN[5a]C)(H)	C(CN[5a]C)(OC)(O)	120.2490	0.000	1	120.2490	0.000	1	121.3894	4.908	5	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	N[6,6]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(N[6,6]C[6,6]2)(CCH)(COO)	C(CN[6,6]C)(COO)(H)	C(CN[6,6]C)(OC)(O)	C(N[6,6]C[6,6]2)(CCH)(COO)	C(CN[6,6]C)(COO)(H)	C(CN[6,6]C)(OC)(O)	119.9110	0.000	1	119.9110	0.000	1	119.9110	0.000	1	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(N[6]C[6,6a]C[6])(CCH)(COO)	C(CN[6]C)(COO)(H)	C(CN[6]C)(OC)(O)	C(N[6]C[6,6a]C[6])(CCH)(COO)	C(CN[6]C)(COO)(H)	C(CN[6]C)(OC)(O)	120.6740	0.000	1	120.6740	0.000	1	120.9740	3.701	5	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(N[6]C[6]2)(CCH)(COO)	C(CN[6]C)(COO)(H)	C(CN[6]C)(OC)(O)	C(N[6]C[6]2)(CCH)(COO)	C(CN[6]C)(COO)(H)	C(CN[6]C)(OC)(O)	121.0490	2.213	4	121.0490	4.898	4	120.9740	3.701	5	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	N[6]-3:C-3:C-3:	C-3:C-3:O-1:	C-3:O-2:O-1:	C(N[6]C[6]2)(CCO)(COO)	C(CN[6]C)(COO)(O)	C(CN[6]C)(OC)(O)	C(N[6]C[6]2)(CCO)(COO)	C(CN[6]C)(COO)(O)	C(CN[6]C)(OC)(O)	124.5130	1.623	3	124.5130	2.634	3	124.5130	2.634	3	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	N[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(N[6a]C[6a]2)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CN[6a]C)(H)	C(CN[6a]C)(OH)(O)	C(N[6a]C[6a]2)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CN[6a]C)(H)	C(CN[6a]C)(OH)(O)	123.9080	0.000	1	123.9080	0.000	1	123.9080	0.000	1	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	S-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(SC[5x3,5x5,20x6]Co)(CCH)(COO)	C(CCC)(CCS)(H)	C(CCS)(OC)(O)	C(SC[5x3,5x5,20x6]Co)(CCH)(COO)	C(CCC)(CCS)(H)	C(CCS)(OC)(O)	118.5010	0.000	1	118.5010	0.000	1	118.5010	0.000	1	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	S-3:C-3:C-3:	S-3:C-3:H-1:	C-3:O-2:O-1:	C(SC[5x3,5x5,20x6]Ru)(CHS)(COO)	C(SC[5x3,5x5,20x6]Ru)(CCS)(H)	C(CCS)(OC)(O)	C(SC[5x3,5x5,20x6]Ru)(CHS)(COO)	C(SC[5x3,5x5,20x6]Ru)(CCS)(H)	C(CCS)(OC)(O)	121.7867	0.746	3	121.7867	0.556	3	121.7867	0.556	3	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:1:	Se-3:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(SeC[5x3,5x5,20x6]Co)(CCH)(COO)	C(CSeC)(CCC)(H)	C(CSeC)(OC)(O)	C(SeC[5x3,5x5,20x6]Co)(CCH)(COO)	C(CSeC)(CCC)(H)	C(CSeC)(OC)(O)	120.3790	0.000	1	120.3790	0.000	1	120.3790	0.000	1	118.6454	11.552	355	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:2:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-2:C-2:	C(CCC)(CCH)2	C(CCC)(CCH)(H)	C(CCC)(CN)2	C(CCC)(CCH)2	C(CCC)(CCH)(H)	C(CCC)(CN)2	118.7218	1.027	4	118.7218	1.056	4	118.7218	1.056	4	119.3244	3.915	34	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:2:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:S-2:S-2:	C(CC[6a]O)(CCH)(CSS)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(SC)2	C(CC[6a]O)(CCH)(CSS)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(SC)2	119.1880	0.191	2	119.1880	0.036	2	119.1880	0.036	2	119.3244	3.915	34	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:2:	C-3:C-3:C-3:	N-3:C-3:H-1:	C-3:O-2:O-2:	C(CHN)(COO)2	C(NC[6a]Cu)(CCC)(H)	C(CCC)(OCu)(OC)	C(CHN)(COO)2	C(NC[6a]Cu)(CCC)(H)	C(CCC)(OCu)(OC)	121.4640	0.478	2	121.4640	0.228	2	121.3735	0.237	6	119.3244	3.915	34	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:2:	C-3:C-3:C-3:	N-3:C-3:H-1:	C-3:O-2:O-2:	C(CHN)(COO)2	C(NC[6a]Zn)(CCC)(H)	C(CCC)(OZn)(OC)	C(CHN)(COO)2	C(NC[6a]Zn)(CCC)(H)	C(CCC)(OZn)(OC)	121.3282	0.557	4	121.3282	0.310	4	121.3735	0.237	6	119.3244	3.915	34	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:2:	C-3:S-3:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-2:	C(CC[6a]H)(SAg2)(COO)	C(C[6a]C[6a]2)(CCS)(H)	C(CCS)(OAg)2	C(CC[6a]H)(SAg2)(COO)	C(C[6a]C[6a]2)(CCS)(H)	C(CCS)(OAg)2	119.2310	0.000	1	119.2310	0.000	1	119.2310	0.000	1	119.3244	3.915	34	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)(CCC)(H)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)(CCC)(H)	C(CC[6a]C)(CN)2	115.0305	1.131	2	115.0305	1.278	2	118.5471	3.146	15	119.3244	3.915	34	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)(CCH)(H)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)(CCH)(H)	C(CC[6a]C)(CN)2	117.7955	1.767	2	117.7955	3.123	2	118.5471	3.146	15	119.3244	3.915	34	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)(CC[6a]H)(H)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)(CC[6a]H)(H)	C(CC[6a]C)(CN)2	119.2856	0.940	9	119.2856	0.884	9	118.5471	3.146	15	119.3244	3.915	34	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)(CSS)(H)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)(CSS)(H)	C(CC[6a]C)(CN)2	119.4925	0.145	2	119.4925	0.021	2	118.5471	3.146	15	119.3244	3.915	34	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C-3:C-3:	C[5]-3:C-3:H-1:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CC[5]H)(CCC)	C(C[5]C[5]2)(CC[6a]C)(H)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CC[5]H)(CCC)	C(C[5]C[5]2)(CC[6a]C)(H)	C(CC[6a]C)(CN)2	113.9970	0.000	1	113.9970	0.000	1	117.9785	31.705	2	119.3244	3.915	34	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C-3:C-3:	C[5]-3:C-3:H-1:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CC[5]H)(CCC)	C(C[5]N[5,5]O[5])(CC[6a]C)(H)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CC[5]H)(CCC)	C(C[5]N[5,5]O[5])(CC[6a]C)(H)	C(CC[6a]C)(CN)2	121.9600	0.000	1	121.9600	0.000	1	117.9785	31.705	2	119.3244	3.915	34	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C-3:C-3:	C[6]-3:C-3:H-1:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CC[6]H)(CCC)	C(C[6]C[6]2)(CC[6a]C)(H)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CC[6]H)(CCC)	C(C[6]C[6]2)(CC[6a]C)(H)	C(CC[6a]C)(CN)2	120.6210	0.000	1	120.6210	0.000	1	120.6210	0.000	1	119.3244	3.915	34	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:S-2:S-2:	C(C[6a]C[6a]2)(CC[6a]O)(CSS)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(CC[6a]C)(SC)2	C(C[6a]C[6a]2)(CC[6a]O)(CSS)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(CC[6a]C)(SC)2	120.5027	1.386	3	120.5027	1.920	3	120.5027	1.920	3	119.3244	3.915	34	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C-3:C-3:Cl-1:	C-3:C-3:H-1:	C(CClC)(CCH)(COO)	C(CCC)(CHH)(Cl)	C(CCC)(CCH)(H)	C(CClC)(CCH)(COO)	C(CCC)(CHH)(Cl)	C(CCC)(CCH)(H)	122.6150	0.000	1	122.6150	0.000	1	122.6150	0.000	1	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCC)(CCH)2	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	C(CCC)(CCH)2	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	121.1230	2.489	3	121.1230	6.197	3	124.5991	13.876	52	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCC)(CCH)2	C(CC[5]H)(CCC)(H)	C(CC[5]H)(CCC)(H)	C(CCC)(CCH)2	C(CC[5]H)(CCC)(H)	C(CC[5]H)(CCC)(H)	126.4994	0.502	11	126.4994	0.252	11	124.5991	13.876	52	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCC)(CCH)2	C(CC[6a]H)(CCC)(H)	C(CCC)(CCH)(H)	C(CCC)(CCH)2	C(CC[6a]H)(CCC)(H)	C(CCC)(CCH)(H)	119.7752	1.179	4	119.7752	1.389	4	124.5991	13.876	52	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCC)(CCH)2	C(CSiH)(CCC)(H)	C(CSiH)(CCC)(H)	C(CCC)(CCH)2	C(CSiH)(CCC)(H)	C(CSiH)(CCC)(H)	116.8620	2.033	6	116.8620	4.135	6	124.5991	13.876	52	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(CCO)	C(CCC)(CCH)(H)	C(CCC)2(H)	C(CCH)2(CCO)	C(CCC)(CCH)(H)	C(CCC)2(H)	126.2911	0.570	24	126.2911	0.325	24	124.5991	13.876	52	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(COO)	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	C(CCH)2(COO)	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	125.6500	0.000	1	125.6500	0.000	1	124.5991	13.876	52	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(COO)	C(CC[5]H)(CCC)(H)	C(CC[5]H)(CCC)(H)	C(CCH)2(COO)	C(CC[5]H)(CCC)(H)	C(CC[5]H)(CCC)(H)	128.8255	0.585	2	128.8255	0.342	2	124.5991	13.876	52	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(COO)	C(CC[5]O)(CCC)(H)	C(CC[5]O)(CCC)(H)	C(CCH)2(COO)	C(CC[5]O)(CCC)(H)	C(CC[5]O)(CCC)(H)	129.7320	0.000	1	129.7320	0.000	1	124.5991	13.876	52	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(CAsC)(CCH)(CCO)	C(CCC)(CCH)(H)	C(CCC)(CCH)(O)	C(CAsC)(CCH)(CCO)	C(CCC)(CCH)(H)	C(CCC)(CCH)(O)	125.5170	0.000	1	125.5170	0.000	1	117.5382	28.224	53	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(CCH)(CCO)(CCP)	C(CCC)(CCH)(H)	C(CCC)(CCH)(O)	C(CCH)(CCO)(CCP)	C(CCC)(CCH)(H)	C(CCC)(CCH)(O)	123.9720	0.000	1	123.9720	0.000	1	117.5382	28.224	53	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(CCH)2(CCO)	C(CCC)(CCH)(H)	C(CCC)2(O)	C(CCH)2(CCO)	C(CCC)(CCH)(H)	C(CCC)2(O)	112.2481	1.678	24	112.2481	2.815	24	117.5382	28.224	53	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(CCH)2(CCO)	C(CCC)2(H)	C(CCC)2(O)	C(CCH)2(CCO)	C(CCC)2(H)	C(CCC)2(O)	120.9562	1.229	24	120.9562	1.510	24	117.5382	28.224	53	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(CC[6a]O)(CCH)(CCO)	C(CCC)(CCH)(H)	C(CCC)(CCH)(O)	C(CC[6a]O)(CCH)(CCO)	C(CCC)(CCH)(H)	C(CCC)(CCH)(O)	127.7117	0.542	3	127.7117	0.294	3	117.5382	28.224	53	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C-3:C-3:O-1:	C-3:C-3:H-1:	C(CC[6a]O)(CCH)(CCO)	C(CC[5a]C)(CCC)(O)	C(CCC)(CCH)(H)	C(CC[6a]O)(CCH)(CCO)	C(CC[5a]C)(CCC)(O)	C(CCC)(CCH)(H)	131.3720	0.000	1	131.3720	0.000	1	131.3720	0.000	1	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C-3:C-3:O-1:	C-3:N-3:H-1:	C(CC[6a]O)(CCO)(CHN)	C(CCC)(COO)(O)	C(CCC)(NCH)(H)	C(CC[6a]O)(CCO)(CHN)	C(CCC)(COO)(O)	C(CCC)(NCH)(H)	120.0355	0.484	6	120.0355	0.235	6	120.0355	0.235	6	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[5]-3:C-3:H-1:	C-3:C-3:O-1:	C(CC[5]H)(CCO)(COO)	C(C[5]C[5]O[5])(CCC)(H)	C(CCC)(CHH)(O)	C(CC[5]H)(CCO)(COO)	C(C[5]C[5]O[5])(CCC)(H)	C(CCC)(CHH)(O)	123.9070	0.000	1	123.9070	0.000	1	123.9070	0.000	1	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5a]H)(CCH)(CCO)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CCC)2(H)	C(CC[5a]H)(CCH)(CCO)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CCC)2(H)	125.0230	0.301	2	125.0230	0.091	2	125.0230	0.091	2	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[5a]-3:C-3:H-1:	C-3:C-3:O-1:	C(CC[5a]H)(CCO)(COO)	C(C[5a]C[5a,6a]C[5a])(CCC)(H)	C(CCC)(CCH)(O)	C(CC[5a]H)(CCO)(COO)	C(C[5a]C[5a,6a]C[5a])(CCC)(H)	C(CCC)(CCH)(O)	119.1490	0.000	1	119.1490	0.000	1	121.7585	13.619	2	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[5a]-3:C-3:H-1:	C-3:C-3:O-1:	C(CC[5a]H)(CCO)(COO)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CCC)(CCH)(O)	C(CC[5a]H)(CCO)(COO)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CCC)(CCH)(O)	124.3680	0.000	1	124.3680	0.000	1	121.7585	13.619	2	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[5a]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C(CC[5a]H)(CC[6a]O)(CC[5]H)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(C[5]C[5]2)(CCC)(H)	C(CC[5a]H)(CC[6a]O)(CC[5]H)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(C[5]C[5]2)(CCC)(H)	122.8150	0.000	1	122.8150	0.000	1	122.8150	0.000	1	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(CC[5a]H)(CC[6a]O)(CC[5]H)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[5a]H)(CC[6a]O)(CC[5]H)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(C[6a]C[6a]2)(CCC)(O)	119.3420	0.000	1	119.3420	0.000	1	119.3420	0.000	1	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[5a]-3:C-3:O-1:	C-3:C-3:H-1:	C(CC[5a]O)(CCoH)(CCH)	C(C[5a]C[5a]O[5a])(CCC)(O)	C(CCC)(CCS)(H)	C(CC[5a]O)(CCoH)(CCH)	C(C[5a]C[5a]O[5a])(CCC)(O)	C(CCC)(CCS)(H)	112.8490	0.580	2	112.8490	0.336	2	112.8490	0.336	2	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[6]-3:C-3:O-1:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CC[6]O)(COO)	C(C[6]C[6]O[6])(CCC)(O)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CC[6]O)(COO)	C(C[6]C[6]O[6])(CCC)(O)	C(C[6a]C[6a]2)(CCC)(H)	124.0360	0.000	1	124.0360	0.000	1	124.0360	0.000	1	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCH)(CHO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(CCH)(H)	C(CC[6a]H)(CCH)(CHO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(CCH)(H)	125.6130	0.000	1	125.6130	0.000	1	124.1973	1.505	3	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCH)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCC)(H)	C(CC[6a]H)(CCH)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCC)(H)	123.4895	0.066	2	123.4895	0.004	2	124.1973	1.505	3	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:C-3:O-1:	C(CC[6a]H)(CCO)(CNO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(CCH)(O)	C(CC[6a]H)(CCO)(CNO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(CCH)(O)	121.3710	0.000	1	121.3710	0.000	1	124.2575	16.664	2	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:C-3:O-1:	C(CC[6a]H)(CCO)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(CCH)(O)	C(CC[6a]H)(CCO)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(CCH)(O)	127.1440	0.000	1	127.1440	0.000	1	124.2575	16.664	2	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(CC[6a]H)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]H)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C(C[6a]C[6a]2)(CCC)(O)	122.9507	4.378	4	122.9507	19.165	4	123.0736	11.603	10	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(CC[6a]H)(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]H)(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(C[6a]C[6a]2)(CCC)(O)	125.8125	0.781	2	125.8125	0.611	2	123.0736	11.603	10	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(CC[6a]H)(CC[6a]O)2	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]H)(CC[6a]O)2	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(C[6a]C[6a]2)(CCC)(O)	122.6535	1.227	2	122.6535	1.505	2	123.0736	11.603	10	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(CC[6a]H)(CC[6a]O)2	C(C[6a]C[6a]2)(CCC)(H)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]H)(CC[6a]O)2	C(C[6a]C[6a]2)(CCC)(H)	C(C[6a]C[6a]2)(CCC)(O)	121.0005	4.562	2	121.0005	20.808	2	123.0736	11.603	10	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	N-3:C-3:O-1:	C(CC[6a]H)(CCO)(CNO)	C(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCC)(O)	C(CC[6a]H)(CCO)(CNO)	C(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCC)(O)	119.0480	0.000	1	119.0480	0.000	1	119.0480	0.000	1	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	N[6]-3:C-3:O-1:	C(CC[6a]H)(CN[6]O)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(N[6]C[6]2)(CCC)(O)	C(CC[6a]H)(CN[6]O)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(N[6]C[6]2)(CCC)(O)	123.7670	0.000	1	123.7670	0.000	1	123.7670	0.000	1	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:C-3:H-1:	C(CC[6a]O)(CCH)(CCO)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(CCH)(H)	C(CC[6a]O)(CCH)(CCO)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(CCH)(H)	115.9692	1.001	5	115.9692	1.001	5	118.7831	15.100	9	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:C-3:H-1:	C(CC[6a]O)(CCH)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[5a]O)(CCC)(H)	C(CC[6a]O)(CCH)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[5a]O)(CCC)(H)	124.5220	0.000	1	124.5220	0.000	1	118.7831	15.100	9	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:C-3:H-1:	C(CC[6a]O)(CCH)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]O)(CCC)(H)	C(CC[6a]O)(CCH)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]O)(CCC)(H)	125.2840	0.000	1	125.2840	0.000	1	118.7831	15.100	9	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:C-3:H-1:	C(CC[6a]O)(CCH)(CSS)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)2(H)	C(CC[6a]O)(CCH)(CSS)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)2(H)	119.6980	0.580	2	119.6980	0.336	2	118.7831	15.100	9	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:C-3:O-1:	C(CC[6a]O)(CCH)(CCO)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(CCH)(O)	C(CC[6a]O)(CCH)(CCO)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(CCH)(O)	115.6417	1.400	3	115.6417	1.959	3	118.0714	8.877	14	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:C-3:O-1:	C(CC[6a]O)(CCH)(CCO)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[5a]C)(CCC)(O)	C(CC[6a]O)(CCH)(CCO)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[5a]C)(CCC)(O)	112.5040	0.000	1	112.5040	0.000	1	118.0714	8.877	14	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:C-3:O-1:	C(CC[6a]O)(CCO)(CHN)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(COO)(O)	C(CC[6a]O)(CCO)(CHN)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(COO)(O)	119.7528	2.387	8	119.7528	5.700	8	118.0714	8.877	14	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:C-3:O-1:	C(CC[6a]O)(CCO)2	C(C[6a]C[6a]2)(CCC)(O)	C(CClC)(CCC)(O)	C(CC[6a]O)(CCO)2	C(C[6a]C[6a]2)(CCC)(O)	C(CClC)(CCC)(O)	117.7745	0.299	2	117.7745	0.089	2	118.0714	8.877	14	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:N-3:H-1:	C(CC[6a]O)(CCO)(CHN)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(NCH)(H)	C(CC[6a]O)(CCO)(CHN)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(NCH)(H)	120.8827	0.714	6	120.8827	0.510	6	121.1575	1.561	8	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:N-3:H-1:	C(CC[6a]O)(CHN)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(NCC)(H)	C(CC[6a]O)(CHN)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(NCC)(H)	123.7940	0.000	1	123.7940	0.000	1	121.1575	1.561	8	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:N-3:H-1:	C(CC[6a]O)(CHN)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(NCH)(H)	C(CC[6a]O)(CHN)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(NCH)(H)	120.1700	0.000	1	120.1700	0.000	1	121.1575	1.561	8	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C[5]-3:C-3:H-1:	C(CC[5a]H)(CC[6a]O)(CC[5]H)	C(C[6a]C[6a]2)(CCC)(O)	C(C[5]C[5]2)(CCC)(H)	C(CC[5a]H)(CC[6a]O)(CC[5]H)	C(C[6a]C[6a]2)(CCC)(O)	C(C[5]C[5]2)(CCC)(H)	116.9900	0.000	1	116.9900	0.000	1	116.9900	0.000	1	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:O-1:	C(CC[6a]H)(CC[6a]O)2	C(C[6a]C[6a]2)(CCC)(O)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]H)(CC[6a]O)2	C(C[6a]C[6a]2)(CCC)(O)	C(C[6a]C[6a]2)(CCC)(O)	115.7550	3.128	2	115.7550	9.786	2	116.5243	11.651	9	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:O-1:	C(CC[6a]N)(CC[6a]O)2	C(C[6a]C[6a]2)(CCC)(O)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]N)(CC[6a]O)2	C(C[6a]C[6a]2)(CCC)(O)	C(C[6a]C[6a]2)(CCC)(O)	119.5130	0.000	1	119.5130	0.000	1	116.5243	11.651	9	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:O-1:	C(CC[6a]O)2(CCH)	C(C[6a]C[6a]2)(CCC)(O)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]O)2(CCH)	C(C[6a]C[6a]2)(CCC)(O)	C(C[6a]C[6a]2)(CCC)(O)	113.3360	0.000	1	113.3360	0.000	1	116.5243	11.651	9	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:O-1:	C(CC[6a]O)2(CCN)	C(C[6a]C[6a]2)(CCC)(O)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]O)2(CCN)	C(C[6a]C[6a]2)(CCC)(O)	C(C[6a]C[6a]2)(CCC)(O)	121.1690	0.000	1	121.1690	0.000	1	116.5243	11.651	9	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:O-1:	C(CC[6a]O)2(CN[5]C)	C(C[6a]C[6a]2)(CCC)(O)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]O)2(CN[5]C)	C(C[6a]C[6a]2)(CCC)(O)	C(C[6a]C[6a]2)(CCC)(O)	121.1710	0.000	1	121.1710	0.000	1	116.5243	11.651	9	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:O-1:	C(CC[6a]O)2(CN[5a]C)	C(C[6a]C[6a]2)(CCC)(O)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]O)2(CN[5a]C)	C(C[6a]C[6a]2)(CCC)(O)	C(C[6a]C[6a]2)(CCC)(O)	114.0067	0.694	3	114.0067	0.482	3	116.5243	11.651	9	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	N-3:C-3:H-1:	C(CC[6a]O)(CCO)(CHN)	C(C[6a]C[6a]2)(CCC)(O)	C(NC[6a]H)(CCC)(H)	C(CC[6a]O)(CCO)(CHN)	C(C[6a]C[6a]2)(CCC)(O)	C(NC[6a]H)(CCC)(H)	117.9065	2.870	2	117.9065	8.238	2	117.2838	2.450	5	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	N-3:C-3:H-1:	C(CC[6a]O)(CHN)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(NC[6a]H)(CCC)(H)	C(CC[6a]O)(CHN)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(NC[6a]H)(CCC)(H)	117.2770	0.000	1	117.2770	0.000	1	117.2838	2.450	5	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	N-3:C-3:H-1:	C(CC[6a]O)(CHN)2	C(C[6a]C[6a]2)(CCC)(O)	C(NC[6a]H)(CCC)(H)	C(CC[6a]O)(CHN)2	C(C[6a]C[6a]2)(CCC)(O)	C(NC[6a]H)(CCC)(H)	116.6645	0.144	2	116.6645	0.021	2	117.2838	2.450	5	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	N-3:C-3:H-1:	C-3:C-3:O-1:	C(CC[6a]O)(CCO)(CHN)	C(NC[6a]H)(CCC)(H)	C(CCC)(COO)(O)	C(CC[6a]O)(CCO)(CHN)	C(NC[6a]H)(CCC)(H)	C(CCC)(COO)(O)	119.4215	1.351	2	119.4215	1.826	2	119.4215	1.826	2	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	N-3:C-3:H-1:	C-3:N-3:H-1:	C(CHN)3	C(NCuC)(CCC)(H)	C(CCC)(NCH)(H)	C(CHN)3	C(NCuC)(CCC)(H)	C(CCC)(NCH)(H)	118.1025	2.707	4	118.1025	7.327	4	118.5432	6.594	6	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	N-3:C-3:H-1:	C-3:N-3:H-1:	C(CHN)3	C(NNiC)(CCC)(H)	C(CCC)(NCH)(H)	C(CHN)3	C(NNiC)(CCC)(H)	C(CCC)(NCH)(H)	119.4245	2.942	2	119.4245	8.657	2	118.5432	6.594	6	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C(CHN)2(COO)	C(NCuC)(CCC)(H)	C(NCuC)(CCC)(H)	C(CHN)2(COO)	C(NCuC)(CCC)(H)	C(NCuC)(CCC)(H)	124.1107	0.333	6	124.1107	0.111	6	123.6848	1.011	9	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C(CHN)3	C(NCuC)(CCC)(H)	C(NCuC)(CCC)(H)	C(CHN)3	C(NCuC)(CCC)(H)	C(NCuC)(CCC)(H)	123.6750	0.109	2	123.6750	0.012	2	123.6848	1.011	9	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C(CHN)3	C(NNiC)(CCC)(H)	C(NNiC)(CCC)(H)	C(CHN)3	C(NNiC)(CCC)(H)	C(NNiC)(CCC)(H)	121.1490	0.000	1	121.1490	0.000	1	123.6848	1.011	9	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	N-3:C-3:H-1:	N-3:C-3:O-1:	C(CHN)(CNO)(COO)	C(NC[6a]H)(CCC)(H)	C(NC[6a]H)(CCC)(O)	C(CHN)(CNO)(COO)	C(NC[6a]H)(CCC)(H)	C(NC[6a]H)(CCC)(O)	120.3570	0.000	1	120.3570	0.000	1	120.3570	0.000	1	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	N-3:C-3:O-1:	C-3:C-3:O-1:	C(CC[6a]H)(CCO)(CNO)	C(NC[6a]H)(CCC)(O)	C(CCC)(CCH)(O)	C(CC[6a]H)(CCO)(CNO)	C(NC[6a]H)(CCC)(O)	C(CCC)(CCH)(O)	119.5000	0.000	1	119.5000	0.000	1	119.5000	0.000	1	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	N-3:C-3:O-1:	C-3:N-3:H-1:	C(CCO)(CHN)(CNO)	C(NC[6a]H)(CCC)(O)	C(CCC)(NHH)(H)	C(CCO)(CHN)(CNO)	C(NC[6a]H)(CCC)(O)	C(CCC)(NHH)(H)	117.5370	0.000	1	117.5370	0.000	1	116.6633	18.304	7	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	N-3:C-3:O-1:	C-3:N-3:H-1:	C(CC[6a]N)(CHN)(CNO)	C(NC[6a]C)(CCC)(O)	C(CCC)(NCC)(H)	C(CC[6a]N)(CHN)(CNO)	C(NC[6a]C)(CCC)(O)	C(CCC)(NCC)(H)	114.8293	1.183	3	114.8293	1.400	3	116.6633	18.304	7	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	N-3:C-3:O-1:	C-3:N-3:H-1:	C(CC[6a]N)(CHN)(CNO)	C(NC[6a]H)(CCC)(O)	C(CCC)(NCC)(H)	C(CC[6a]N)(CHN)(CNO)	C(NC[6a]H)(CCC)(O)	C(CCC)(NCC)(H)	114.3620	0.608	2	114.3620	0.370	2	116.6633	18.304	7	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	N-3:C-3:O-1:	C-3:N-3:H-1:	C(CHN)(CNO)(COO)	C(NC[6a]C)(CCC)(O)	C(CCC)(NCC)(H)	C(CHN)(CNO)(COO)	C(NC[6a]C)(CCC)(O)	C(CCC)(NCC)(H)	125.8940	0.000	1	125.8940	0.000	1	116.6633	18.304	7	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	N-3:C-3:S-1:	C-3:N-3:H-1:	C(CC[6a]N)(CHN)(CNS)	C(NC[6a]C)(CCC)(S)	C(CCC)(NCC)(H)	C(CC[6a]N)(CHN)(CNS)	C(NC[6a]C)(CCC)(S)	C(CCC)(NCC)(H)	118.5620	0.151	2	118.5620	0.023	2	118.5620	0.023	2	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:C-3:	S-3:C-3:H-1:	C-3:C-3:H-1:	C(CCH)(CHS)(COO)	C(SC[5x3,5x5,20x6]Co)(CCC)(H)	C(CCoC)(CCC)(H)	C(CCH)(CHS)(COO)	C(SC[5x3,5x5,20x6]Co)(CCC)(H)	C(CCoC)(CCC)(H)	127.6095	0.646	2	127.6095	0.417	2	127.6095	0.417	2	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	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)2(NCC)	C(CCH)(CCN)(H)	C(CCN)(CHS)(H)	C(CCH)2(NCC)	C(CCH)(CCN)(H)	C(CCN)(CHS)(H)	117.5890	0.000	1	117.5890	0.000	1	124.8569	22.430	7	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	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)2(NCC)	C(CC[5]C)(CCN)(H)	C(CCN)(CCO)(H)	C(CCH)2(NCC)	C(CC[5]C)(CCN)(H)	C(CCN)(CCO)(H)	121.9400	0.000	1	121.9400	0.000	1	124.8569	22.430	7	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	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)2(NCC)	C(CSiH)(CCN)(H)	C(CCN)(CHN)(H)	C(CCH)2(NCC)	C(CSiH)(CCN)(H)	C(CCN)(CHN)(H)	124.2380	0.000	1	124.2380	0.000	1	124.8569	22.430	7	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	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)2(NHS)	C(CC[6a]H)(CCN)(H)	C(CCN)(COO)(H)	C(CCH)2(NHS)	C(CC[6a]H)(CCN)(H)	C(CCN)(COO)(H)	121.8700	0.000	1	121.8700	0.000	1	124.8569	22.430	7	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	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)2(NOO)	C(CCH)(CCN)(H)	C(CCH)(CCN)(H)	C(CCH)2(NOO)	C(CCH)(CCN)(H)	C(CCH)(CCN)(H)	129.4537	0.527	3	129.4537	0.278	3	124.8569	22.430	7	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	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:O-1:	C(CCH)(CCO)(NCH)	C(CCH)(CCN)(H)	C(CCH)(CCN)(O)	C(CCH)(CCO)(NCH)	C(CCH)(CCN)(H)	C(CCH)(CCN)(O)	126.8287	0.681	10	126.8287	0.463	10	126.8427	4.860	16	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	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:O-1:	C(CCH)(CCO)(NCN)	C(CCH)(CCN)(H)	C(CCH)(CCN)(O)	C(CCH)(CCO)(NCN)	C(CCH)(CCN)(H)	C(CCH)(CCN)(O)	123.6650	1.478	2	123.6650	2.184	2	126.8427	4.860	16	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	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:O-1:	C(CCH)(CCO)(NHH)	C(CCH)(CCN)(H)	C(CCH)(CCN)(O)	C(CCH)(CCO)(NHH)	C(CCH)(CCN)(H)	C(CCH)(CCN)(O)	126.7590	0.637	3	126.7590	0.405	3	126.8427	4.860	16	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	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:O-1:	C(CCH)(CCO)(NOO)	C(CCH)(CCN)(H)	C(CCN)(CCO)(O)	C(CCH)(CCO)(NOO)	C(CCH)(CCN)(H)	C(CCN)(CCO)(O)	133.5890	0.000	1	133.5890	0.000	1	126.8427	4.860	16	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:N-3:	C[5a]-3:C-3:H-1:	C-3:N-3:O-1:	C(CC[5a]H)(CNO)(NCH)	C(C[5a]C[5a]S[5a])(CCN)(H)	C(CCN)(NHN)(O)	C(CC[5a]H)(CNO)(NCH)	C(C[5a]C[5a]S[5a])(CCN)(H)	C(CCN)(NHN)(O)	124.3300	0.000	1	124.3300	0.000	1	124.3300	0.000	1	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:N-3:	C[6a]-3:C-3:Br-1:	C[6a]-3:C-3:O-1:	C(CC[6a]Br)(CC[6a]O)(NCS)	C(C[6a]C[6a]2)(CCN)(Br)	C(C[6a]C[6a]2)(CCN)(O)	C(CC[6a]Br)(CC[6a]O)(NCS)	C(C[6a]C[6a]2)(CCN)(Br)	C(C[6a]C[6a]2)(CCN)(O)	123.5800	0.000	1	123.5800	0.000	1	123.5800	0.000	1	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	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)(CCO)(NCH)	C(C[6a]C[6a]2)(CCN)(H)	C(CCN)(COO)(O)	C(CC[6a]H)(CCO)(NCH)	C(C[6a]C[6a]2)(CCN)(H)	C(CCN)(COO)(O)	118.2830	0.247	2	118.2830	0.061	2	118.2830	0.061	2	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:N-3:	C[6a]-3:C-3:H-1:	C-3:N-3:O-1:	C(CC[6a]H)(CNO)(NCH)	C(C[6a]C[6a]2)(CCN)(H)	C(CCN)(NCH)(O)	C(CC[6a]H)(CNO)(NCH)	C(C[6a]C[6a]2)(CCN)(H)	C(CCN)(NCH)(O)	120.7301	3.298	17	120.7301	10.880	17	120.7301	10.880	17	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:N-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(CC[6a]H)(CC[6a]O)(NOO)	C(C[6a]C[6a,6a]C[6a])(CCN)(H)	C(C[6a]C[6a]2)(CCN)(O)	C(CC[6a]H)(CC[6a]O)(NOO)	C(C[6a]C[6a,6a]C[6a])(CCN)(H)	C(C[6a]C[6a]2)(CCN)(O)	125.4280	7.044	2	125.4280	49.621	2	125.4280	49.621	2	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:N-3:	C[6a]-3:C-3:O-1:	C-3:N-3:H-1:	C(CC[6a]O)(CHN)(NHS)	C(C[6a]C[6a]2)(CCN)(O)	C(CCN)(NCC)(H)	C(CC[6a]O)(CHN)(NHS)	C(C[6a]C[6a]2)(CCN)(O)	C(CCN)(NCC)(H)	121.1785	0.098	2	121.1785	0.010	2	121.1785	0.010	2	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:N-3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C(CHN)2(NOO)	C(NC[6a]Cu)(CCN)(H)	C(NC[6a]Cu)(CCN)(H)	C(CHN)2(NOO)	C(NC[6a]Cu)(CCN)(H)	C(NC[6a]Cu)(CCN)(H)	126.9742	0.975	5	126.9742	0.951	5	126.9035	0.790	6	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:N-3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C(CHN)2(NOO)	C(NC[6a]Rh)(CCN)(H)	C(NC[6a]Rh)(CCN)(H)	C(CHN)2(NOO)	C(NC[6a]Rh)(CCN)(H)	C(NC[6a]Rh)(CCN)(H)	126.5500	0.000	1	126.5500	0.000	1	126.9035	0.790	6	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:C-3:N-3:	N[5]-3:C-3:O-1:	N-3:C-3:H-1:	C(CN[5]O)(CHN)(NCH)	C(N[5]C[5]2)(CCN)(O)	C(NC[6a]H)(CCN)(H)	C(CN[5]O)(CHN)(NCH)	C(N[5]C[5]2)(CCN)(O)	C(NC[6a]H)(CCN)(H)	119.9665	0.991	2	119.9665	0.981	2	119.9665	0.981	2	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C-3:N-3:C-3:	C[6a]-3:C-3:O-1:	C-3:C-3:H-1:	C(CC[6a]O)(NC[6a]H)(CCH)	C(C[6a]C[6a]2)(CCN)(O)	C(CC[6a]O)(CCN)(H)	C(CC[6a]O)(NC[6a]H)(CCH)	C(C[6a]C[6a]2)(CCN)(O)	C(CC[6a]O)(CCN)(H)	117.3675	1.117	2	117.3675	1.247	2	117.3675	1.247	2	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5,6a]2)(CCH)2	C(CC[5]C)(CCH)(H)	C(CC[5]C)(CCH)(H)	C(C[5]C[5,6a]2)(CCH)2	C(CC[5]C)(CCH)(H)	C(CC[5]C)(CCH)(H)	116.8270	0.000	1	116.8270	0.000	1	122.9597	28.222	3	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]2)(CCH)2	C(CC[5]C)(CC[5]H)(H)	C(CC[5]C)(CC[5]H)(H)	C(C[5]C[5]2)(CCH)2	C(CC[5]C)(CC[5]H)(H)	C(CC[5]C)(CC[5]H)(H)	126.0260	0.171	2	126.0260	0.029	2	122.9597	28.222	3	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C-3:C-3:	C-3:C-3:O-1:	C-3:C-3:O-1:	C(C[5]S[5]2)(CCO)2	C(CC[5]C)(CCH)(O)	C(CC[5]C)(CCH)(O)	C(C[5]S[5]2)(CCO)2	C(CC[5]C)(CCH)(O)	C(CC[5]C)(CCH)(O)	122.5850	0.000	1	122.5850	0.000	1	122.5850	0.000	1	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:N-3:O-1:	C(C[5]C[5]2)(CC[6a]H)(CNO)	C(C[6a]C[6a]2)(CC[5]C)(H)	C(CC[5]C)(NCC)(O)	C(C[5]C[5]2)(CC[6a]H)(CNO)	C(C[6a]C[6a]2)(CC[5]C)(H)	C(CC[5]C)(NCC)(O)	122.2430	0.000	1	122.2430	0.000	1	122.2430	0.000	1	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:C-3:H-1:	C(C[5]S[5]2)(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(CC[5]C)(O)	C(CC[6a]2)(CC[5]C)(H)	C(C[5]S[5]2)(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(CC[5]C)(O)	C(CC[6a]2)(CC[5]C)(H)	122.0710	0.000	1	122.0710	0.000	1	122.0710	0.000	1	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C[5]-3:C-3:H-1:	C(C[5]N[5]2)(CC[6a]O)(CC[5]H)	C(C[6a]C[6a]2)(CC[5]C)(O)	C(C[5]C[5]2)(CC[5]C)(H)	C(C[5]N[5]2)(CC[6a]O)(CC[5]H)	C(C[6a]C[6a]2)(CC[5]C)(O)	C(C[5]C[5]2)(CC[5]C)(H)	115.7120	0.372	2	115.7120	0.138	2	115.7120	0.138	2	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:O-1:	C(C[5]S[5]2)(CC[6a]O)2	C(C[6a]C[6a]2)(CC[5]C)(O)	C(C[6a]C[6a]2)(CC[5]C)(O)	C(C[5]S[5]2)(CC[6a]O)2	C(C[6a]C[6a]2)(CC[5]C)(O)	C(C[6a]C[6a]2)(CC[5]C)(O)	123.1920	0.000	1	123.1920	0.000	1	123.1920	0.000	1	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C-3:C-3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C(C[5]C[5]N[5])(CHN)2	C(NC[6a]Ni)(CC[5]C)(H)	C(NC[6a]Ni)(CC[5]C)(H)	C(C[5]C[5]N[5])(CHN)2	C(NC[6a]Ni)(CC[5]C)(H)	C(NC[6a]Ni)(CC[5]C)(H)	121.7562	0.497	8	121.7562	0.247	8	121.7562	0.247	8	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(C[5a]C[5a]O[5a])(CCH)(CCO)	C(CC[5a]C)(CCC)(H)	C(CC[5a]C)(CCC)(O)	C(C[5a]C[5a]O[5a])(CCH)(CCO)	C(CC[5a]C)(CCC)(H)	C(CC[5a]C)(CCC)(O)	126.7440	0.000	1	126.7440	0.000	1	126.7440	0.000	1	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:N-3:H-1:	C(C[5a]C[5a]N[5a])(CCH)(CHN)	C(CC[5a]C)(CC[5a]H)(H)	C(CC[5a]C)(NCC)(H)	C(C[5a]C[5a]N[5a])(CCH)(CHN)	C(CC[5a]C)(CC[5a]H)(H)	C(CC[5a]C)(NCC)(H)	117.9980	1.230	2	117.9980	1.514	2	117.9980	1.514	2	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C-3:C-3:	C-3:N-3:O-1:	C-3:C-3:H-1:	C(C[5a]C[5a,6a]C[5a])(CCH)(CNO)	C(CC[5a]C)(NC[6a]H)(O)	C(CC[5a]C)(COO)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(CNO)	C(CC[5a]C)(NC[6a]H)(O)	C(CC[5a]C)(COO)(H)	122.6710	0.000	1	122.6710	0.000	1	122.6710	0.000	1	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[5a]C[5a]N[5a])(CC[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(CC[5a]C)(CHH)(H)	C(C[5a]C[5a]N[5a])(CC[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(CC[5a]C)(CHH)(H)	124.1710	0.000	1	124.1710	0.000	1	120.3385	29.376	2	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[5a]C[5a]S[5a])(CC[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(CC[5a]C)(CC[5]H)(H)	C(C[5a]C[5a]S[5a])(CC[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(CC[5a]C)(CC[5]H)(H)	116.5060	0.000	1	116.5060	0.000	1	120.3385	29.376	2	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:O-1:	C(C[6,6]C[3x6]2)(CC[6a]O)2	C(C[6a]C[6a]2)(CC[6,6]C)(O)	C(C[6a]C[6a]2)(CC[6,6]C)(O)	C(C[6,6]C[3x6]2)(CC[6a]O)2	C(C[6a]C[6a]2)(CC[6,6]C)(O)	C(C[6a]C[6a]2)(CC[6,6]C)(O)	117.7520	0.000	1	117.7520	0.000	1	117.7520	0.000	1	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C-3:C-3:	C-3:C-3:O-1:	C-3:C-3:O-1:	C(C[6]C[6]N[6])(CCO)2	C(CC[6]C)(CCC)(O)	C(CC[6]C)(CCN)(O)	C(C[6]C[6]N[6])(CCO)2	C(CC[6]C)(CCC)(O)	C(CC[6]C)(CCN)(O)	121.9040	0.000	1	121.9040	0.000	1	121.9040	0.000	1	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(C[6]C[6]O[6])(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6]C)(H)	C(C[6a]C[6a]2)(CC[6]C)(O)	C(C[6]C[6]O[6])(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6]C)(H)	C(C[6a]C[6a]2)(CC[6]C)(O)	119.0830	0.147	2	119.0830	0.022	2	119.0830	0.022	2	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:C-3:H-1:	C(C[6]C[5,6]C[6])(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(CC[6]C)(O)	C(CC[6a]O)(CC[6]C)(H)	C(C[6]C[5,6]C[6])(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(CC[6]C)(O)	C(CC[6a]O)(CC[6]C)(H)	118.1070	0.078	2	118.1070	0.006	2	118.1070	0.006	2	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:O-1:	C(C[6]C[6]N[6])(CC[6a]O)2	C(C[6a]C[6a]2)(CC[6]C)(O)	C(C[6a]C[6a]2)(CC[6]C)(O)	C(C[6]C[6]N[6])(CC[6a]O)2	C(C[6a]C[6a]2)(CC[6]C)(O)	C(C[6a]C[6a]2)(CC[6]C)(O)	120.6920	0.000	1	120.6920	0.000	1	120.6920	0.000	1	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)2	C(CC[6a]C)(CCC)(H)	C(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CCH)2	C(CC[6a]C)(CCC)(H)	C(CC[6a]C)2(H)	127.5470	0.000	1	127.5470	0.000	1	124.0621	7.023	7	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)2	C(CC[6a]C)(CCH)(H)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)2	C(CC[6a]C)(CCH)(H)	C(CC[6a]C)(CCH)(H)	124.7368	1.735	4	124.7368	3.011	4	124.0621	7.023	7	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)2	C(CC[6a]C)(CHH)(H)	C(CC[6a]C)(CNN)(H)	C(C[6a]C[6a]2)(CCH)2	C(CC[6a]C)(CHH)(H)	C(CC[6a]C)(CNN)(H)	120.8680	0.000	1	120.8680	0.000	1	124.0621	7.023	7	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)2	C(CC[6a]C)(COsC)(H)	C(CC[6a]C)(COsC)(H)	C(C[6a]C[6a]2)(CCH)2	C(CC[6a]C)(COsC)(H)	C(CC[6a]C)(COsC)(H)	121.0730	0.000	1	121.0730	0.000	1	124.0621	7.023	7	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	C-3:C-3:O-1:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]2)(CCH)(CCO)	C(CC[6a]C)(CBrC)(O)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a,6a]2)(CCH)(CCO)	C(CC[6a]C)(CBrC)(O)	C(CC[6a]C)(CCH)(H)	129.4020	0.000	1	129.4020	0.000	1	126.5117	6.531	3	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	C-3:C-3:O-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(CCO)	C(CC[6a]C)(CCC)(O)	C(CC[6a]C)(CCO)(H)	C(C[6a]C[6a]2)(CCH)(CCO)	C(CC[6a]C)(CCC)(O)	C(CC[6a]C)(CCO)(H)	125.0665	0.729	2	125.0665	0.531	2	126.5117	6.531	3	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	C-3:N-3:H-1:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)2	C(CC[6a]C)(NCC)(H)	C(CC[6a]C)(NCC)(H)	C(C[6a]C[6a]2)(CHN)2	C(CC[6a]C)(NCC)(H)	C(CC[6a]C)(NCC)(H)	112.0380	0.000	1	112.0380	0.000	1	115.3787	26.560	4	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	C-3:N-3:H-1:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)2	C(CC[6a]C)(NC[6a]H)(H)	C(CC[6a]C)(NC[6a]H)(H)	C(C[6a]C[6a]2)(CHN)2	C(CC[6a]C)(NC[6a]H)(H)	C(CC[6a]C)(NC[6a]H)(H)	113.2060	0.000	2	113.2060	0.000	2	115.3787	26.560	4	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	C-3:N-3:H-1:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CHN)2	C(CC[6a]C)(NZnC)(H)	C(CC[6a]C)(NZnC)(H)	C(C[6a]C[6a]2)(CHN)2	C(CC[6a]C)(NZnC)(H)	C(CC[6a]C)(NZnC)(H)	123.0650	0.000	1	123.0650	0.000	1	115.3787	26.560	4	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(CCH)	C(C[5]C[5]2)(CC[6a]C)(H)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(CCH)	C(C[5]C[5]2)(CC[6a]C)(H)	C(CC[6a]C)(CCH)(H)	124.2775	2.196	2	124.2775	4.821	2	124.2775	4.821	2	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(CCH)	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	C(CC[6a]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CCH)	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	C(CC[6a]C)(CC[6a]H)(H)	122.4790	0.000	1	122.4790	0.000	1	122.4790	0.000	1	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	C[5a]-3:C-3:H-1:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CC[5a]H)(CNO)	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	C(CC[6a]C)(NHS)(O)	C(C[6a]C[6a]2)(CC[5a]H)(CNO)	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	C(CC[6a]C)(NHS)(O)	115.9180	0.765	2	115.9180	0.585	2	115.9180	0.585	2	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	C[5a]-3:C-3:O-1:	C-3:C-3:F-1:	C(C[6a]C[6a]2)(CC[5a]O)(CCF)	C(C[5a]N[5a]2)(CC[6a]C)(O)	C(CC[6a]C)(COO)(F)	C(C[6a]C[6a]2)(CC[5a]O)(CCF)	C(C[5a]N[5a]2)(CC[6a]C)(O)	C(CC[6a]C)(COO)(F)	118.1170	0.000	1	118.1170	0.000	1	118.1170	0.000	1	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(CC[6a]C)(CCH)(H)	118.3180	1.502	2	118.3180	2.256	2	119.8980	8.617	3	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(CC[6a]C)(CCN)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(CC[6a]C)(CCN)(H)	123.0580	0.000	1	123.0580	0.000	1	119.8980	8.617	3	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(H)	C(CC[6a]C)(NCC)(O)	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(H)	C(CC[6a]C)(NCC)(O)	123.2030	0.000	1	123.2030	0.000	1	120.1015	15.733	10	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(CC[6a]C)(NCC)(O)	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(CC[6a]C)(NCC)(O)	122.2067	2.129	6	122.2067	4.533	6	120.1015	15.733	10	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(CC[6a]C)(NCH)(O)	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(CC[6a]C)(NCH)(O)	114.6680	0.000	2	114.6680	0.000	2	120.1015	15.733	10	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(CC[6a]C)(NHS)(O)	C(C[6a]C[6a]2)(CC[6a]H)(CNO)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(CC[6a]C)(NHS)(O)	115.2360	0.000	1	115.2360	0.000	1	120.1015	15.733	10	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]C)(O)	119.2868	0.488	6	119.2868	0.239	6	119.2868	0.239	6	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	N[6]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN[6]O)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(N[6]C[6]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[6a]H)(CN[6]O)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(N[6]C[6]2)(CC[6a]C)(O)	115.3940	0.000	1	115.3940	0.000	1	115.3940	0.000	1	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:C-3:F-1:	C(C[6a]C[6a]2)(CC[6a]O)(CCF)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(CC[6a]C)(CNO)(F)	C(C[6a]C[6a]2)(CC[6a]O)(CCF)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(CC[6a]C)(CNO)(F)	115.3310	0.000	1	115.3310	0.000	1	115.3310	0.000	1	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(CC[6a]C)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(CC[6a]C)(CC[6a]N)(H)	122.4040	0.000	1	122.4040	0.000	1	118.6235	28.584	2	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(CC[6a]C)(CC[6a]O)(H)	114.8430	0.000	1	114.8430	0.000	1	118.6235	28.584	2	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C(C[6a]C[6,6a]C[6a])(CHN)2	C(NC[6a]Cu)(CC[6a]C)(H)	C(NC[6a]Cu)(CC[6a]C)(H)	C(C[6a]C[6,6a]C[6a])(CHN)2	C(NC[6a]Cu)(CC[6a]C)(H)	C(NC[6a]Cu)(CC[6a]C)(H)	125.0063	0.357	3	125.0063	0.127	3	123.7086	1.347	16	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C(C[6a]C[6,6a]C[6a])(CHN)2	C(NC[6a]Zn)(CC[6a]C)(H)	C(NC[6a]Zn)(CC[6a]C)(H)	C(C[6a]C[6,6a]C[6a])(CHN)2	C(NC[6a]Zn)(CC[6a]C)(H)	C(NC[6a]Zn)(CC[6a]C)(H)	124.3375	0.346	4	124.3375	0.120	4	123.7086	1.347	16	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C(C[6a]C[6a]2)(CHN)2	C(NC[6a]Al)(CC[6a]C)(H)	C(NC[6a]Al)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CHN)2	C(NC[6a]Al)(CC[6a]C)(H)	C(NC[6a]Al)(CC[6a]C)(H)	122.0740	0.000	1	122.0740	0.000	1	123.7086	1.347	16	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C(C[6a]C[6a]2)(CHN)2	C(NC[6a]Cu)(CC[6a]C)(H)	C(NC[6a]Cu)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CHN)2	C(NC[6a]Cu)(CC[6a]C)(H)	C(NC[6a]Cu)(CC[6a]C)(H)	122.0030	0.000	1	122.0030	0.000	1	123.7086	1.347	16	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C(C[6a]C[6a]2)(CHN)2	C(NC[6a]Li)(CC[6a]C)(H)	C(NC[6a]Li)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CHN)2	C(NC[6a]Li)(CC[6a]C)(H)	C(NC[6a]Li)(CC[6a]C)(H)	123.7700	1.066	2	123.7700	1.137	2	123.7086	1.347	16	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C(C[6a]C[6a]2)(CHN)2	C(NC[6a]Sb)(CC[6a]C)(H)	C(NC[6a]Sb)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CHN)2	C(NC[6a]Sb)(CC[6a]C)(H)	C(NC[6a]Sb)(CC[6a]C)(H)	122.6385	0.397	4	122.6385	0.157	4	123.7086	1.347	16	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	N-3:C-3:H-1:	N-3:C-3:H-1:	C(C[6a]C[6a]2)(CHN)2	C(NC[6a]Zn)(CC[6a]C)(H)	C(NC[6a]Zn)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CHN)2	C(NC[6a]Zn)(CC[6a]C)(H)	C(NC[6a]Zn)(CC[6a]C)(H)	124.7970	0.000	1	124.7970	0.000	1	123.7086	1.347	16	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(NC[5]H)(CCH)(CCO)	C(CCH)(CCN)(H)	C(CCH)(CCN)(O)	C(NC[5]H)(CCH)(CCO)	C(CCH)(CCN)(H)	C(CCH)(CCN)(O)	127.8720	0.000	1	127.8720	0.000	1	126.9312	0.425	5	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(NC[6]H)(CCH)(CCO)	C(CCH)(CCN)(H)	C(CCH)(CCN)(O)	C(NC[6]H)(CCH)(CCO)	C(CCH)(CCN)(H)	C(CCH)(CCN)(O)	126.1160	0.000	1	126.1160	0.000	1	126.9312	0.425	5	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	N-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(NC[6a]H)(CCH)(CCO)	C(CCH)(CCN)(H)	C(CCH)(CCN)(O)	C(NC[6a]H)(CCH)(CCO)	C(CCH)(CCN)(H)	C(CCH)(CCN)(O)	126.8893	0.268	3	126.8893	0.072	3	126.9312	0.425	5	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	N[5]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(N[5]C[5]2)(CCH)2	C(CC[5]H)(CN[5]C)(H)	C(CC[5]H)(CN[5]C)(H)	C(N[5]C[5]2)(CCH)2	C(CC[5]H)(CN[5]C)(H)	C(CC[5]H)(CN[5]C)(H)	124.2080	0.000	1	124.2080	0.000	1	124.2080	0.000	1	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	N[5]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(N[5]C[5]N[5])(CCH)(CCO)	C(CN[5]C)(CCH)(H)	C(CN[5]C)(CCH)(O)	C(N[5]C[5]N[5])(CCH)(CCO)	C(CN[5]C)(CCH)(H)	C(CN[5]C)(CCH)(O)	125.4210	0.000	1	125.4210	0.000	1	125.4210	0.000	1	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	N[5]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(N[5]C[5]2)(CC[6a]H)(CCH)	C(C[6a]C[6a]2)(CN[5]C)(H)	C(CN[5]C)(CHH)(H)	C(N[5]C[5]2)(CC[6a]H)(CCH)	C(C[6a]C[6a]2)(CN[5]C)(H)	C(CN[5]C)(CHH)(H)	125.3310	0.000	1	125.3310	0.000	1	125.3310	0.000	1	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	N[5]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(N[5]C[5]2)(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CN[5]C)(H)	C(C[6a]C[6a]2)(CN[5]C)(O)	C(N[5]C[5]2)(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CN[5]C)(H)	C(C[6a]C[6a]2)(CN[5]C)(O)	119.6230	0.000	1	119.6230	0.000	1	119.6230	0.000	1	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	N[5a]-3:C-3:C-3:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(N[5a]C[5a]2)(CC[5a]H)(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(CN[5a]C)(H)	C(C[6a]C[6a]2)(CN[5a]C)(O)	C(N[5a]C[5a]2)(CC[5a]H)(CC[6a]O)	C(C[5a]C[5a,6a]C[5a])(CN[5a]C)(H)	C(C[6a]C[6a]2)(CN[5a]C)(O)	124.3800	0.000	1	124.3800	0.000	1	124.3800	0.000	1	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	N[5a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:N-3:O-1:	C(N[5a]C[5a,6a]2)(CC[6a]H)(CNO)	C(C[6a]C[6a]2)(CN[5a]C)(H)	C(CN[5a]C)(NHH)(O)	C(N[5a]C[5a,6a]2)(CC[6a]H)(CNO)	C(C[6a]C[6a]2)(CN[5a]C)(H)	C(CN[5a]C)(NHH)(O)	119.0310	0.000	1	119.0310	0.000	1	119.0310	0.000	1	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	N[5a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(N[5a]C[5a]2)(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a,6a]2)(CN[5a]C)(H)	C(C[6a]C[6a]2)(CN[5a]C)(O)	C(N[5a]C[5a]2)(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a,6a]2)(CN[5a]C)(H)	C(C[6a]C[6a]2)(CN[5a]C)(O)	123.7482	2.208	4	123.7482	4.875	4	123.5029	3.156	15	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	N[5a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(N[5a]C[5a]N[5a])(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a,6a]2)(CN[5a]C)(H)	C(C[6a]C[6a]2)(CN[5a]C)(O)	C(N[5a]C[5a]N[5a])(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a,6a]2)(CN[5a]C)(H)	C(C[6a]C[6a]2)(CN[5a]C)(O)	123.3415	0.421	2	123.3415	0.177	2	123.5029	3.156	15	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	N[5a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(N[5a]C[5a]N[5a])(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CN[5a]C)(H)	C(C[6a]C[6a]2)(CN[5a]C)(O)	C(N[5a]C[5a]N[5a])(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CN[5a]C)(H)	C(C[6a]C[6a]2)(CN[5a]C)(O)	123.4297	1.905	9	123.4297	3.631	9	123.5029	3.156	15	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(N[6]C[6]2)(CCH)2	C(CN[6]C)(CCH)(H)	C(CN[6]C)(CCH)(H)	C(N[6]C[6]2)(CCH)2	C(CN[6]C)(CCH)(H)	C(CN[6]C)(CCH)(H)	122.2306	1.592	5	122.2306	2.535	5	122.2306	2.535	5	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	N[6]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(N[6]C[6]2)(CCH)(CCO)	C(CN[6]C)(CCH)(H)	C(CN[6]C)(CCH)(O)	C(N[6]C[6]2)(CCH)(CCO)	C(CN[6]C)(CCH)(H)	C(CN[6]C)(CCH)(O)	124.4660	0.700	2	124.4660	0.490	2	124.4660	0.490	2	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	O-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(OCu2)(CCH)2	C(CCO)2(H)	C(CCO)2(H)	C(OCu2)(CCH)2	C(CCO)2(H)	C(CCO)2(H)	121.1660	0.000	1	121.1660	0.000	1	121.1660	0.000	1	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:1:	S-3:C-3:C-3:	C[5a]-3:C-3:O-1:	C-3:C-3:H-1:	C(SC[5x3,5x5,20x6]Co)(CC[5a]O)(CCH)	C(C[5a]C[5a]O[5a])(CCS)(O)	C(CCC)(CCS)(H)	C(SC[5x3,5x5,20x6]Co)(CC[5a]O)(CCH)	C(C[5a]C[5a]O[5a])(CCS)(O)	C(CCC)(CCS)(H)	125.0160	0.296	2	125.0160	0.087	2	125.0160	0.087	2	121.4237	20.830	399	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:2:	C-3:C-3:C-3:	C[5a]-3:C-3:O-1:	C[6a]-3:C-3:O-2:	C(CC[5a]O)(CC[6a]C)(CC[6a]O)	C(C[5a]C[5a]N[5a])(CCC)(O)	C(C[6a]C[6a]2)(CCC)(OH)	C(CC[5a]O)(CC[6a]C)(CC[6a]O)	C(C[5a]C[5a]N[5a])(CCC)(O)	C(C[6a]C[6a]2)(CCC)(OH)	117.7585	0.045	2	117.7585	0.002	2	117.7585	0.002	2	121.2431	12.352	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:2:	C-3:C-3:C-3:	C[6,6]-3:C-3:O-1:	C-3:C-3:O-2:	C(CC[6,6]O)(CCO)2	C(C[6,6]C[4x6]C[6,6])(CCC)(O)	C(CCC)2(OH)	C(CC[6,6]O)(CCO)2	C(C[6,6]C[4x6]C[6,6])(CCC)(O)	C(CCC)2(OH)	124.1230	0.000	1	124.1230	0.000	1	124.1230	0.000	1	121.2431	12.352	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:2:	C-3:C-3:C-3:	C[6]-3:C-3:O-1:	C-3:C-3:O-2:	C(CC[6]O)(CCO)2	C(C[6]C[5,6,6]C[6])(CCC)(O)	C(CCC)2(OH)	C(CC[6]O)(CCO)2	C(C[6]C[5,6,6]C[6])(CCC)(O)	C(CCC)2(OH)	122.7970	0.000	1	122.7970	0.000	1	122.7970	0.000	1	121.2431	12.352	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:2:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:C-3:O-2:	C(CC[6a]H)(CCO)2	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCC)(OC)	C(CC[6a]H)(CCO)2	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCC)(OC)	123.0710	0.000	1	123.0710	0.000	1	123.0710	0.000	1	121.2431	12.352	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:2:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:N-3:N-2:	C(CC[6a]H)(CNN)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(NCC)(NS)	C(CC[6a]H)(CNN)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(NCC)(NS)	127.2990	0.000	1	127.2990	0.000	1	127.0355	0.139	2	121.2431	12.352	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:2:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:N-3:N-2:	C(CC[6a]H)(CNN)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(NCH)(NS)	C(CC[6a]H)(CNN)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(NCH)(NS)	126.7720	0.000	1	126.7720	0.000	1	127.0355	0.139	2	121.2431	12.352	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:2:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:C-3:O-2:	C(CC[6a]O)(CCH)(CCO)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(CCH)(OC)	C(CC[6a]O)(CCH)(CCO)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(CCH)(OC)	119.8690	0.000	1	119.8690	0.000	1	118.8393	0.862	3	121.2431	12.352	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:2:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:C-3:O-2:	C(CC[6a]O)(CCO)2	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(CCH)(OH)	C(CC[6a]O)(CCO)2	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(CCH)(OH)	118.3245	0.366	2	118.3245	0.134	2	118.8393	0.862	3	121.2431	12.352	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C-3:C-3:	C[6]-3:C-3:H-1:	C[6a]-3:C-3:N-2:	C(C[6a]C[6a]2)(CC[6a]N)(CC[6]H)	C(C[6]C[6,6a]C[6])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]C)(NC)	C(C[6a]C[6a]2)(CC[6a]N)(CC[6]H)	C(C[6]C[6,6a]C[6])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]C)(NC)	122.8200	0.000	1	122.8200	0.000	1	122.8200	0.000	1	121.2431	12.352	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:P-3:S-2:	C(C[6a]C[6a]2)(CC[6a]H)(CPS)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(CC[6a]C)(PCC)(SAl)	C(C[6a]C[6a]2)(CC[6a]H)(CPS)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(CC[6a]C)(PCC)(SAl)	117.9320	0.000	1	117.9320	0.000	1	117.9320	0.000	1	121.2431	12.352	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:C-3:O-2:	C(C[6a]C[6a]2)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(CC[6a]C)(CCH)(OH)	C(C[6a]C[6a]2)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(CC[6a]C)(CCH)(OH)	117.0660	0.000	1	117.0660	0.000	1	117.0660	0.000	1	121.2431	12.352	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:2:	N[5a]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:N-3:S-2:	C(N[5a]C[5a]N[5a])(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(CN[5a]C)(O)	C(CN[5a]C)(NC[6a]H)(SC)	C(N[5a]C[5a]N[5a])(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(CN[5a]C)(O)	C(CN[5a]C)(NC[6a]H)(SC)	123.4880	0.000	1	123.4880	0.000	1	123.4880	0.000	1	121.2431	12.352	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:3:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C(CCC)(CCH)2	C(CCC)(CCH)(H)	C(CCC)(CCH)2	C(CCC)(CCH)2	C(CCC)(CCH)(H)	C(CCC)(CCH)2	120.8697	0.555	6	120.8697	0.309	6	118.9690	6.098	42	120.7831	9.385	87	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:3:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C(CCC)(CCH)2	C(CC[5]H)(CCC)(H)	C(CCC)(CCH)2	C(CCC)(CCH)2	C(CC[5]H)(CCC)(H)	C(CCC)(CCH)2	116.7748	0.491	20	116.7748	0.241	20	118.9690	6.098	42	120.7831	9.385	87	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:3:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C(CCC)(CCH)2	C(CC[6a]H)(CCC)(H)	C(CCC)(CCH)2	C(CCC)(CCH)2	C(CC[6a]H)(CCC)(H)	C(CCC)(CCH)2	119.3063	1.260	4	119.3063	1.588	4	118.9690	6.098	42	120.7831	9.385	87	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:3:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C(CCC)(CCH)2	C(CSiH)(CCC)(H)	C(CCC)(CCH)2	C(CCC)(CCH)2	C(CSiH)(CCC)(H)	C(CCC)(CCH)2	121.5631	1.906	12	121.5631	3.631	12	118.9690	6.098	42	120.7831	9.385	87	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:3:	C-3:C-3:C-3:	C[5]-3:C-3:H-1:	C-3:C-3:C-3:	C(CC[5]H)(CCC)(COO)	C(C[5]C[5]2)(CCC)(H)	C(CCC)(CCH)(COO)	C(CC[5]H)(CCC)(COO)	C(C[5]C[5]2)(CCC)(H)	C(CCC)(CCH)(COO)	126.6230	0.000	1	126.6230	0.000	1	126.6230	0.000	1	120.7831	9.385	87	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:3:	C-3:C-3:C-3:	C[5a]-3:C-3:H-1:	C-3:C-3:C-3:	C(CC[5a]H)(CCC)(CHO)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CC[5a]H)(CCC)(CHO)	C(CC[5a]H)(CCC)(CHO)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CC[5a]H)(CCC)(CHO)	124.5595	0.388	2	124.5595	0.151	2	124.6977	0.279	4	120.7831	9.385	87	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:3:	C-3:C-3:C-3:	C[5a]-3:C-3:H-1:	C-3:C-3:C-3:	C(CC[5a]H)(CCC)(COO)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CC[5a]H)(CCC)(COO)	C(CC[5a]H)(CCC)(COO)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CC[5a]H)(CCC)(COO)	124.8360	0.781	2	124.8360	0.609	2	124.6977	0.279	4	120.7831	9.385	87	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:3:	C-3:C-3:C-3:	C[5a]-3:C-3:O-1:	C[6a]-3:C-3:C-3:	C(CC[5a]O)(CC[6a]C)(CC[6a]O)	C(C[5a]C[5a]N[5a])(CCC)(O)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[5a]O)(CC[6a]C)(CC[6a]O)	C(C[5a]C[5a]N[5a])(CCC)(O)	C(C[6a]C[6a]2)(CCC)(CCH)	121.4210	0.000	1	121.4210	0.000	1	121.4210	0.000	1	120.7831	9.385	87	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:3:	C-3:C-3:C-3:	C[5a]-3:C-3:O-1:	N[6]-3:C-3:C-3:	C(CC[5a]O)(CN[6]C)(COO)	C(C[5a]C[5a]S[5a])(CCC)(O)	C(N[6]C[6]2)(CCC)(COO)	C(CC[5a]O)(CN[6]C)(COO)	C(C[5a]C[5a]S[5a])(CCC)(O)	C(N[6]C[6]2)(CCC)(COO)	123.9085	1.244	2	123.9085	1.547	2	123.9085	1.547	2	120.7831	9.385	87	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:3:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-3:	C(CC[6a]H)(CCC)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCC)(COO)	C(CC[6a]H)(CCC)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCC)(COO)	125.4365	0.540	2	125.4365	0.291	2	125.4365	0.291	2	120.7831	9.385	87	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:3:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:C-3:C-3:	C(CC[6a]O)(CCC)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]O)(CCC)(COO)	C(CC[6a]O)(CCC)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]O)(CCC)(COO)	122.8036	2.263	7	122.8036	5.121	7	122.8036	5.121	7	120.7831	9.385	87	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:3:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	N[6]-3:C-3:C-3:	C(CC[6a]O)(CN[6]C)(COO)	C(C[6a]C[6a,6a]C[6a])(CCC)(O)	C(N[6]C[6]2)(CCC)(COO)	C(CC[6a]O)(CN[6]C)(COO)	C(C[6a]C[6a,6a]C[6a])(CCC)(O)	C(N[6]C[6]2)(CCC)(COO)	122.4720	0.000	1	122.4720	0.000	1	122.9507	0.910	7	120.7831	9.385	87	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:3:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	N[6]-3:C-3:C-3:	C(CC[6a]O)(CN[6]C)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(N[6]C[6]2)(CCC)(COO)	C(CC[6a]O)(CN[6]C)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(N[6]C[6]2)(CCC)(COO)	123.0305	1.019	6	123.0305	1.039	6	122.9507	0.910	7	120.7831	9.385	87	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:3:	C-3:C-3:C-3:	N-3:C-3:H-1:	C-3:C-3:C-3:	C(CCC)(CHN)(COO)	C(NC[6a]C)(CCC)(H)	C(CCC)(CCH)(COO)	C(CCC)(CHN)(COO)	C(NC[6a]C)(CCC)(H)	C(CCC)(CCH)(COO)	127.8610	0.000	1	127.8610	0.000	1	125.9540	7.273	2	120.7831	9.385	87	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:3:	C-3:C-3:C-3:	N-3:C-3:H-1:	C-3:C-3:C-3:	C(CCC)(CHN)(COO)	C(NC[6a]H)(CCC)(H)	C(CCC)(CHO)(COO)	C(CCC)(CHN)(COO)	C(NC[6a]H)(CCC)(H)	C(CCC)(CHO)(COO)	124.0470	0.000	1	124.0470	0.000	1	125.9540	7.273	2	120.7831	9.385	87	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:3:	C-3:C-3:N-3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C(CCC)(CCH)(NCC)	C(CC[5a]H)(CCN)(H)	C(CCrC)(CCN)(COO)	C(CCC)(CCH)(NCC)	C(CC[5a]H)(CCN)(H)	C(CCrC)(CCN)(COO)	119.1050	0.000	1	119.1050	0.000	1	119.1050	0.000	1	120.7831	9.385	87	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:3:	C-3:C-3:N-3:	C-3:N-3:S-1:	C-3:N-3:N-3:	C(CNN)(CNS)(NOO)	C(CCN)(NCH)(S)	C(CCN)(NCC)2	C(CNN)(CNS)(NOO)	C(CCN)(NCH)(S)	C(CCN)(NCC)2	119.7610	0.000	1	119.7610	0.000	1	119.4795	0.158	2	120.7831	9.385	87	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:3:	C-3:C-3:N-3:	C-3:N-3:S-1:	C-3:N-3:N-3:	C(CNN)(CNS)(NOO)	C(CCN)(NCH)(S)	C(CCN)(NCH)2	C(CNN)(CNS)(NOO)	C(CCN)(NCH)(S)	C(CCN)(NCH)2	119.1980	0.000	1	119.1980	0.000	1	119.4795	0.158	2	120.7831	9.385	87	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:3:	C-3:C-3:N-3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]2)(CC[6a]O)(NHS)	C(C[6a]C[6a]2)(CCN)(O)	C(C[6a]C[6a]2)2(CCN)	C(CC[6a]2)(CC[6a]O)(NHS)	C(C[6a]C[6a]2)(CCN)(O)	C(C[6a]C[6a]2)2(CCN)	122.0970	0.000	1	122.0970	0.000	1	122.0970	0.000	1	120.7831	9.385	87	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:3:	C-3:N-3:C-3:	C[6a]-3:C-3:O-1:	C-3:C-3:C-3:	C(CC[6a]O)(NC[6a]H)(CCC)	C(C[6a]C[6a,6a]C[6a])(CCN)(O)	C(CC[6a]O)(CCN)(COO)	C(CC[6a]O)(NC[6a]H)(CCC)	C(C[6a]C[6a,6a]C[6a])(CCN)(O)	C(CC[6a]O)(CCN)(COO)	118.2710	0.000	2	118.2710	0.000	2	119.0550	1.844	3	120.7831	9.385	87	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:3:	C-3:N-3:C-3:	C[6a]-3:C-3:O-1:	C-3:C-3:C-3:	C(CC[6a]O)(NC[6a]H)(CCC)	C(C[6a]C[6a]2)(CCN)(O)	C(CC[6a]O)2(CCN)	C(CC[6a]O)(NC[6a]H)(CCC)	C(C[6a]C[6a]2)(CCN)(O)	C(CC[6a]O)2(CCN)	120.6230	0.000	1	120.6230	0.000	1	119.0550	1.844	3	120.7831	9.385	87	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)(CC[6a]H)(H)	C(CC[6a]C)(CCO)2	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)(CC[6a]H)(H)	C(CC[6a]C)(CCO)2	123.2400	0.000	1	123.2400	0.000	1	123.2400	0.000	1	120.7831	9.385	87	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C-3:C-3:	C[6]-3:C-3:H-1:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6]H)(CCC)	C(C[6]C[5a,6]2)(CC[6a]C)(H)	C(CC[6a]C)(CC[5]C)(CCC)	C(C[6a]C[6a]2)(CC[6]H)(CCC)	C(C[6]C[5a,6]2)(CC[6a]C)(H)	C(CC[6a]C)(CC[5]C)(CCC)	118.1600	0.000	1	118.1600	0.000	1	118.1600	0.000	1	120.7831	9.385	87	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(CC[6a]2)(CC[6a]C)(CHN)	C(C[6a]C[6a]2)(CC[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(CC[6a]2)(CC[6a]C)(CHN)	117.9920	0.000	1	117.9920	0.000	1	120.7615	15.340	2	120.7831	9.385	87	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(CC[6a]C)(CC[6a]O)2	C(C[6a]C[6a]2)(CC[6a]H)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(CC[6a]C)(CC[6a]O)2	123.5310	0.000	1	123.5310	0.000	1	120.7615	15.340	2	120.7831	9.385	87	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]C)2	118.1370	0.000	1	118.1370	0.000	1	118.1370	0.000	1	120.7831	9.385	87	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]N[6a])(CC[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]N[6a])(CC[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)2(CC[6a]C)	122.8640	0.000	1	122.8640	0.000	1	122.8640	0.000	1	120.7831	9.385	87	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:3:	N[5]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:C-3:C-3:	C(N[5]C[5]2)(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(CN[5]C)(O)	C(CC[6a]O)2(CN[5]C)	C(N[5]C[5]2)(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(CN[5]C)(O)	C(CC[6a]O)2(CN[5]C)	120.4260	0.000	1	120.4260	0.000	1	120.4260	0.000	1	120.7831	9.385	87	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C-3:C-3:	C[5a]-3:C-3:O-1:	C-3:C-3:C-3:	C(N[5a]C[5a]N[5a])(CC[5a]O)(CCC)	C(C[5a]C[5a]2)(CN[5a]C)(O)	C(CC[6a]O)2(CN[5a]C)	C(N[5a]C[5a]N[5a])(CC[5a]O)(CCC)	C(C[5a]C[5a]2)(CN[5a]C)(O)	C(CC[6a]O)2(CN[5a]C)	121.2290	0.000	1	121.2290	0.000	1	121.2290	0.000	1	120.7831	9.385	87	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:C-3:C-3:	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(CN[5a]C)(O)	C(CC[6a]O)2(CN[5a]C)	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(CN[5a]C)(O)	C(CC[6a]O)2(CN[5a]C)	122.6030	0.000	1	122.6030	0.000	1	123.1890	0.687	2	120.7831	9.385	87	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:C-3:C-3:	C(N[5a]C[5a,6a]N[5a])(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(CN[5a]C)(O)	C(CC[6a]O)2(CN[5a]C)	C(N[5a]C[5a,6a]N[5a])(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(CN[5a]C)(O)	C(CC[6a]O)2(CN[5a]C)	123.7750	0.000	1	123.7750	0.000	1	123.1890	0.687	2	120.7831	9.385	87	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:3:	N[5a]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:	C(N[5a]C[5a,6a]C[5a])(CC[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(CN[5a]C)(O)	C(C[6a]C[6a]2)2(CN[5a]C)	C(N[5a]C[5a,6a]C[5a])(CC[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(CN[5a]C)(O)	C(C[6a]C[6a]2)2(CN[5a]C)	125.5410	0.000	1	125.5410	0.000	1	125.5410	0.000	1	120.7831	9.385	87	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:C-3:N-3:	C(N[6]C[6]2)(CC[6a]O)(CCN)	C(C[6a]C[6a]2)(CN[6]C)(O)	C(CN[6]C)(COO)(NOO)	C(N[6]C[6]2)(CC[6a]O)(CCN)	C(C[6a]C[6a]2)(CN[6]C)(O)	C(CN[6]C)(COO)(NOO)	118.8930	0.000	1	118.8930	0.000	1	118.8930	0.000	1	120.7831	9.385	87	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:N-3:C-4:	C(C[6]C[6]N[6])(CC[6a]O)(CCN)	C(C[6a]C[6a]2)(CC[6]C)(O)	C(CC[6]C)(NPtN)(CH3)	C(C[6]C[6]N[6])(CC[6a]O)(CCN)	C(C[6a]C[6a]2)(CC[6]C)(O)	C(CC[6]C)(NPtN)(CH3)	116.1500	0.755	2	116.1500	0.570	2	116.1500	0.570	2	116.1500	0.570	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:4:1:	C[5]-3:C-3:C-3:	C[5]-3:C-3:O-1:	C-3:C-4:O-1:	C(C[5]S[5]2)(CC[5]O)(CCO)	C(C[5]C[5]2)(CC[5]C)(O)	C(CC[5]C)(CCHH)(O)	C(C[5]S[5]2)(CC[5]O)(CCO)	C(C[5]C[5]2)(CC[5]C)(O)	C(CC[5]C)(CCHH)(O)	122.3760	0.000	1	122.3760	0.000	1	122.3760	0.000	1	119.9506	5.761	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:4:1:	C[5]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:C-4:O-1:	C(C[5]S[5]2)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CC[5]C)(O)	C(CC[5]C)(CH3)(O)	C(C[5]S[5]2)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CC[5]C)(O)	C(CC[5]C)(CH3)(O)	121.2610	0.000	1	121.2610	0.000	1	121.2610	0.000	1	119.9506	5.761	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:4:1:	C[5a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:C-4:O-1:	C(C[5a]N[5a,6a]C[5a])(CC[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(CC[5a]C)(CH3)(O)	C(C[5a]N[5a,6a]C[5a])(CC[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(CC[5a]C)(CH3)(O)	121.1420	0.441	2	121.1420	0.195	2	121.1420	0.195	2	119.9506	5.761	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)2	C(CC[6a]2)(CC[6a]C)(H)	C(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CCH)2	C(CC[6a]2)(CC[6a]C)(H)	C(CC[6a]C)(CCHH)(H)	121.4070	0.000	1	121.4070	0.000	1	121.4070	0.000	1	119.9506	5.761	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C-3:C-3:	C-3:N-3:O-1:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCH)(CNO)	C(CC[6a]C)(NC[6]H)(O)	C(CC[6a]C)(CCFF)(H)	C(C[6a]C[6a]2)(CCH)(CNO)	C(CC[6a]C)(NC[6]H)(O)	C(CC[6a]C)(CCFF)(H)	115.2580	0.000	1	115.2580	0.000	1	115.2580	0.000	1	119.9506	5.761	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C-3:C-3:	C-3:N-3:O-1:	C-3:Si-4:H-1:	C(C[6a]C[6a]2)(CSiH)(CNO)	C(CC[6a]C)(NC[6a]H)(O)	C(CC[6a]C)(SiC3)(H)	C(C[6a]C[6a]2)(CSiH)(CNO)	C(CC[6a]C)(NC[6a]H)(O)	C(CC[6a]C)(SiC3)(H)	119.3450	0.000	1	119.3450	0.000	1	119.3450	0.000	1	119.9506	5.761	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C-3:C-3:	C[5a]-3:C-3:O-1:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[5a]O)(CCH)	C(C[5a]C[5a]2)(CC[6a]C)(O)	C(CC[6a]C)(CCFF)(H)	C(C[6a]C[6a]2)(CC[5a]O)(CCH)	C(C[5a]C[5a]2)(CC[6a]C)(O)	C(CC[6a]C)(CCFF)(H)	117.6740	0.000	1	117.6740	0.000	1	117.6740	0.000	1	119.9506	5.761	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:4:2:	C[5a]-3:C-3:C-3:	C-3:N-3:O-1:	C-3:C-4:O-2:	C(C[5a]C[5a]O[5a])(CCO)(CNO)	C(CC[5a]C)(NC[6a]H)(O)	C(CC[5a]C)(CH3)(OH)	C(C[5a]C[5a]O[5a])(CCO)(CNO)	C(CC[5a]C)(NC[6a]H)(O)	C(CC[5a]C)(CH3)(OH)	119.3150	0.000	1	119.3150	0.000	1	119.3150	0.000	1	118.9760	0.230	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:4:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(CC[6a]C)(CCHH)(OH)	C(C[6a]C[6a]2)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(CC[6a]C)(CCHH)(OH)	118.6370	0.000	1	118.6370	0.000	1	118.6370	0.000	1	118.9760	0.230	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:4:3:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:C-4:C-3:	C(CC[6a]O)(CCC)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6]C)(CCFF)(CCC)	C(CC[6a]O)(CCC)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6]C)(CCFF)(CCC)	117.7150	0.168	2	117.7150	0.028	2	117.7150	0.028	2	118.5901	0.641	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:4:3:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	N-3:C-4:C-3:	C(CC[6a]O)(CCN)2	C(C[6a]C[6a]2)(CCC)(O)	C(NC[6a]H)(CH3)(CCC)	C(CC[6a]O)(CCN)2	C(C[6a]C[6a]2)(CCC)(O)	C(NC[6a]H)(CH3)(CCC)	118.7138	0.464	4	118.7138	0.215	4	118.7138	0.215	4	118.5901	0.641	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	3:4:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(CC[6a]C)(CCHH)(CNO)	C(C[6a]C[6a]2)(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(CC[6a]C)(CCHH)(CNO)	119.8460	0.000	1	119.8460	0.000	1	119.8460	0.000	1	118.5901	0.641	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)2(COO)	C(CC[6a]H)(CCC)(H)	C(CH3)(CCC)(H)	C(CCH)2(COO)	C(CC[6a]H)(CCC)(H)	C(CH3)(CCC)(H)	122.7170	0.000	1	122.7170	0.000	1	125.1865	12.197	2	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CCH)2(COO)	C(CC[6a]N)(CCC)(H)	C(CCHH)(CCC)(H)	C(CCH)2(COO)	C(CC[6a]N)(CCC)(H)	C(CCHH)(CCC)(H)	127.6560	0.000	1	127.6560	0.000	1	125.1865	12.197	2	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C(CCH)(CCO)2	C(CCC)(CCH)(H)	C(CH3)(CCC)(O)	C(CCH)(CCO)2	C(CCC)(CCH)(H)	C(CH3)(CCC)(O)	121.6887	0.436	4	121.6887	0.190	4	122.4881	1.375	8	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C(CCH)(CCO)2	C(CC[6a]O)(CCC)(H)	C(CH3)(CCC)(O)	C(CCH)(CCO)2	C(CC[6a]O)(CCC)(H)	C(CH3)(CCC)(O)	123.2875	1.147	4	123.2875	1.316	4	122.4881	1.375	8	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	C-3:C-3:O-1:	C-4:C-3:O-1:	C(CCO)3	C(CC[6a]C)(CCC)(O)	C(CH3)(CCC)(O)	C(CCO)3	C(CC[6a]C)(CCC)(O)	C(CH3)(CCC)(O)	117.5020	0.000	1	117.5020	0.000	1	117.5020	0.000	1	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	C-3:N-3:H-1:	C-4:C-3:O-1:	C(CCO)(CHN)(CNO)	C(CCC)(NHH)(H)	C(CH3)(CCC)(O)	C(CCO)(CHN)(CNO)	C(CCC)(NHH)(H)	C(CH3)(CCC)(O)	118.8720	0.000	1	118.8720	0.000	1	118.7838	1.216	14	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	C-3:N-3:H-1:	C-4:C-3:O-1:	C(CCO)(CHN)(COO)	C(CCC)(NCH)(H)	C(CH3)(CCC)(O)	C(CCO)(CHN)(COO)	C(CCC)(NCH)(H)	C(CH3)(CCC)(O)	119.9157	0.393	3	119.9157	0.154	3	118.7838	1.216	14	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	C-3:N-3:H-1:	C-4:C-3:O-1:	C(CCO)2(CHN)	C(CCC)(NCH)(H)	C(CH3)(CCC)(O)	C(CCO)2(CHN)	C(CCC)(NCH)(H)	C(CH3)(CCC)(O)	118.4539	1.157	8	118.4539	1.340	8	118.7838	1.216	14	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	C-3:N-3:H-1:	C-4:C-3:O-1:	C(CCO)2(CHN)	C(CCC)(NHH)(H)	C(CH3)(CCC)(O)	C(CCO)2(CHN)	C(CCC)(NHH)(H)	C(CH3)(CCC)(O)	118.3615	1.019	2	118.3615	1.038	2	118.7838	1.216	14	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	C[5a]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[5a]H)(CCH)(CCO)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CH3)(CCC)(O)	C(CC[5a]H)(CCH)(CCO)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CH3)(CCC)(O)	120.0315	0.005	2	120.0315	0.000	2	121.2587	4.518	3	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	C[5a]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[5a]H)(CCO)(COO)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CH3)(CCC)(O)	C(CC[5a]H)(CCO)(COO)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CH3)(CCC)(O)	123.7130	0.000	1	123.7130	0.000	1	121.2587	4.518	3	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	C[6,6]-3:C-3:O-1:	C-4:C-3:O-1:	C(CC[6,6]O)(CCO)2	C(C[6,6]C[4x6]C[6,6])(CCC)(O)	C(CH3)(CCC)(O)	C(CC[6,6]O)(CCO)2	C(C[6,6]C[4x6]C[6,6])(CCC)(O)	C(CH3)(CCC)(O)	117.7580	0.000	1	117.7580	0.000	1	117.7580	0.000	1	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	C[6]-3:C-3:O-1:	C-4:C-3:O-1:	C(CC[6]O)(CCO)2	C(C[6]C[5,6,6]C[6])(CCC)(O)	C(CH3)(CCC)(O)	C(CC[6]O)(CCO)2	C(C[6]C[5,6,6]C[6])(CCC)(O)	C(CH3)(CCC)(O)	118.0150	0.000	1	118.0150	0.000	1	118.0150	0.000	1	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[6a]H)(CCO)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CClHH)(CCC)(O)	C(CC[6a]H)(CCO)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CClHH)(CCC)(O)	125.9390	0.000	1	125.9390	0.000	1	123.1258	4.144	23	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[6a]H)(CCO)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CH3)(CCC)(O)	C(CC[6a]H)(CCO)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CH3)(CCC)(O)	123.5512	0.313	5	123.5512	0.098	5	123.1258	4.144	23	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[6a]H)(CCO)2	C(C[6a]C[6a,6a]2)(CCC)(H)	C(CH3)(CCC)(O)	C(CC[6a]H)(CCO)2	C(C[6a]C[6a,6a]2)(CCC)(H)	C(CH3)(CCC)(O)	122.3632	0.554	4	122.3632	0.306	4	123.1258	4.144	23	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[6a]H)(CCO)2	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(CH3)(CCC)(O)	C(CC[6a]H)(CCO)2	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(CH3)(CCC)(O)	123.7530	3.113	2	123.7530	9.689	2	123.1258	4.144	23	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[6a]H)(CCO)2	C(C[6a]C[6a]2)(CCC)(H)	C(CH3)(CCC)(O)	C(CC[6a]H)(CCO)2	C(C[6a]C[6a]2)(CCC)(H)	C(CH3)(CCC)(O)	122.6201	3.015	7	122.6201	9.092	7	123.1258	4.144	23	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[6a]H)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C(CH3)(CCC)(O)	C(CC[6a]H)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C(CH3)(CCC)(O)	122.2437	0.400	3	122.2437	0.160	3	123.1258	4.144	23	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[6a]H)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C(CHHO)(CCC)(O)	C(CC[6a]H)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C(CHHO)(CCC)(O)	126.1670	0.000	1	126.1670	0.000	1	123.1258	4.144	23	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-4:C-3:H-1:	C(CC[6a]O)(CCC)(CCH)	C(C[6a]C[6a]2)(CCC)(O)	C(CCHH)(CCC)(H)	C(CC[6a]O)(CCC)(CCH)	C(C[6a]C[6a]2)(CCC)(O)	C(CCHH)(CCC)(H)	120.6730	0.000	1	120.6730	0.000	1	122.4453	16.520	3	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-4:C-3:H-1:	C(CC[6a]O)2(CCH)	C(C[6a]C[6a]2)(CCC)(O)	C(CF3)(CCC)(H)	C(CC[6a]O)2(CCH)	C(C[6a]C[6a]2)(CCC)(O)	C(CF3)(CCC)(H)	123.3315	5.322	2	123.3315	28.328	2	122.4453	16.520	3	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-4:C-3:O-1:	C(CC[6a]H)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CCC)(O)	C(CH3)(CCC)(O)	C(CC[6a]H)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CCC)(O)	C(CH3)(CCC)(O)	112.5897	0.429	3	112.5897	0.184	3	115.8053	15.049	6	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-4:C-3:O-1:	C(CC[6a]H)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CCC)(O)	C(CHHO)(CCC)(O)	C(CC[6a]H)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CCC)(O)	C(CHHO)(CCC)(O)	116.4310	0.000	1	116.4310	0.000	1	115.8053	15.049	6	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-4:C-3:O-1:	C(CC[6a]N)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CCC)(O)	C(CF3)(CCC)(O)	C(CC[6a]N)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CCC)(O)	C(CF3)(CCC)(O)	121.4930	0.000	1	121.4930	0.000	1	115.8053	15.049	6	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-4:C-3:O-1:	C(CC[6a]O)(CCO)(CNS)	C(C[6a]C[6a]2)(CCC)(O)	C(CH3)(CCC)(O)	C(CC[6a]O)(CCO)(CNS)	C(C[6a]C[6a]2)(CCC)(O)	C(CH3)(CCC)(O)	119.1390	0.000	1	119.1390	0.000	1	115.8053	15.049	6	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	N-3:C-3:H-1:	C-4:C-3:O-1:	C(CCN)(CCO)(CHN)	C(NC[6]Ni)(CCC)(H)	C(CH3)(CCC)(O)	C(CCN)(CCO)(CHN)	C(NC[6]Ni)(CCC)(H)	C(CH3)(CCC)(O)	116.1195	2.452	4	116.1195	6.014	4	117.4108	2.600	38	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	N-3:C-3:H-1:	C-4:C-3:O-1:	C(CCN)(CCO)(CHN)	C(NNiC)(CCC)(H)	C(CH3)(CCC)(O)	C(CCN)(CCO)(CHN)	C(NNiC)(CCC)(H)	C(CH3)(CCC)(O)	117.4410	0.021	2	117.4410	0.000	2	117.4108	2.600	38	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	N-3:C-3:H-1:	C-4:C-3:O-1:	C(CCO)(CHN)(COO)	C(NC[6a]H)(CCC)(H)	C(CH3)(CCC)(O)	C(CCO)(CHN)(COO)	C(NC[6a]H)(CCC)(H)	C(CH3)(CCC)(O)	120.5267	0.055	4	120.5267	0.003	4	117.4108	2.600	38	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	N-3:C-3:H-1:	C-4:C-3:O-1:	C(CCO)2(CHN)	C(NC[6a]Cu)(CCC)(H)	C(CH3)(CCC)(O)	C(CCO)2(CHN)	C(NC[6a]Cu)(CCC)(H)	C(CH3)(CCC)(O)	116.5263	0.631	6	116.5263	0.398	6	117.4108	2.600	38	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	N-3:C-3:H-1:	C-4:C-3:O-1:	C(CCO)2(CHN)	C(NC[6a]Fe)(CCC)(H)	C(CH3)(CCC)(O)	C(CCO)2(CHN)	C(NC[6a]Fe)(CCC)(H)	C(CH3)(CCC)(O)	116.9073	0.458	4	116.9073	0.210	4	117.4108	2.600	38	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	N-3:C-3:H-1:	C-4:C-3:O-1:	C(CCO)2(CHN)	C(NC[6a]H)(CCC)(H)	C(CH3)(CCC)(O)	C(CCO)2(CHN)	C(NC[6a]H)(CCC)(H)	C(CH3)(CCC)(O)	118.9625	0.684	2	118.9625	0.468	2	117.4108	2.600	38	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	N-3:C-3:H-1:	C-4:C-3:O-1:	C(CCO)2(CHN)	C(NC[6a]Ni)(CCC)(H)	C(CH3)(CCC)(O)	C(CCO)2(CHN)	C(NC[6a]Ni)(CCC)(H)	C(CH3)(CCC)(O)	117.9475	0.251	2	117.9475	0.063	2	117.4108	2.600	38	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	N-3:C-3:H-1:	C-4:C-3:O-1:	C(CCO)2(CHN)	C(NCoC)(CCC)(H)	C(CH3)(CCC)(O)	C(CCO)2(CHN)	C(NCoC)(CCC)(H)	C(CH3)(CCC)(O)	117.2260	2.263	4	117.2260	5.120	4	117.4108	2.600	38	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	N-3:C-3:H-1:	C-4:C-3:O-1:	C(CCO)2(CHN)	C(NFeC)(CCC)(H)	C(CH3)(CCC)(O)	C(CCO)2(CHN)	C(NFeC)(CCC)(H)	C(CH3)(CCC)(O)	117.0676	0.387	8	117.0676	0.150	8	117.4108	2.600	38	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	N-3:C-3:H-1:	C-4:C-3:O-1:	C(CCO)2(CHN)	C(NZnC)(CCC)(H)	C(CH3)(CCC)(O)	C(CCO)2(CHN)	C(NZnC)(CCC)(H)	C(CH3)(CCC)(O)	117.0460	0.809	2	117.0460	0.654	2	117.4108	2.600	38	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	N-3:C-3:O-1:	C-4:C-3:O-1:	C(CCO)(CHN)(CNO)	C(NC[6a]H)(CCC)(O)	C(CH3)(CCC)(O)	C(CCO)(CHN)(CNO)	C(NC[6a]H)(CCC)(O)	C(CH3)(CCC)(O)	123.5910	0.000	1	123.5910	0.000	1	123.5910	0.000	1	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:C-3:	N-3:C-3:S-1:	C-4:C-3:O-1:	C(CCO)2(CNS)	C(NC[6a]H)(CCC)(S)	C(CH3)(CCC)(O)	C(CCO)2(CNS)	C(NC[6a]H)(CCC)(S)	C(CH3)(CCC)(O)	119.8410	0.000	1	119.8410	0.000	1	119.8410	0.000	1	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C-3:C-3:N-3:	C-3:N-3:O-1:	C-4:C-3:H-1:	C(CCH)(CNO)(NCH)	C(CCN)(NCH)(O)	C(CH3)(CCN)(H)	C(CCH)(CNO)(NCH)	C(CCN)(NCH)(O)	C(CH3)(CCN)(H)	119.6080	0.000	1	119.6080	0.000	1	119.6080	0.000	1	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C-3:C-3:	C[5a]-3:C-3:H-1:	C-4:C-3:O-1:	C(C[6a]C[6a]2)(CC[5a]H)(CCO)	C(C[5a]C[5a]S[5a])(CC[6a]C)(H)	C(CC[6a]HH)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[5a]H)(CCO)	C(C[5a]C[5a]S[5a])(CC[6a]C)(H)	C(CC[6a]HH)(CC[6a]C)(O)	116.8680	0.000	1	116.8680	0.000	1	116.8680	0.000	1	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C-3:C-3:	C[5a]-3:C-3:O-1:	C[3]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]O)(CC[3]H)	C(C[5a]C[5a]O[5a])(CC[6a]C)(O)	C(C[3]C[3]2N)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]O)(CC[3]H)	C(C[5a]C[5a]O[5a])(CC[6a]C)(O)	C(C[3]C[3]2N)(CC[6a]C)(H)	116.3750	0.000	1	116.3750	0.000	1	116.3750	0.000	1	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C[3]-4:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]O)(CC[3]H)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[3]C[3]2S)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]O)(CC[3]H)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[3]C[3]2S)(CC[6a]C)(H)	117.6740	0.010	2	117.6740	0.000	2	117.6740	0.000	2	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:1:	S-3:C-3:C-3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C(SRuC)(CCH)(CCO)	C(CCH)(CCS)(H)	C(CH3)(CCS)(O)	C(SRuC)(CCH)(CCO)	C(CCH)(CCS)(H)	C(CH3)(CCS)(O)	119.8250	0.000	1	119.8250	0.000	1	119.8250	0.000	1	119.6058	10.462	108	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:2:	C-3:C-3:C-3:	N-3:C-3:H-1:	C-4:C-3:O-2:	C(CCO)(CHN)(COO)	C(NC[6a]Fe)(CCC)(H)	C(CH3)(CCC)(OFe)	C(CCO)(CHN)(COO)	C(NC[6a]Fe)(CCC)(H)	C(CH3)(CCC)(OFe)	122.4982	0.639	6	122.4982	0.408	6	122.1599	0.448	18	121.8335	1.834	20	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:2:	C-3:C-3:C-3:	N-3:C-3:H-1:	C-4:C-3:O-2:	C(CCO)2(CHN)	C(NC[6a]Cu)(CCC)(H)	C(CH3)(CCC)(OCu)	C(CCO)2(CHN)	C(NC[6a]Cu)(CCC)(H)	C(CH3)(CCC)(OCu)	122.2225	0.274	6	122.2225	0.075	6	122.1599	0.448	18	121.8335	1.834	20	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:2:	C-3:C-3:C-3:	N-3:C-3:H-1:	C-4:C-3:O-2:	C(CCO)2(CHN)	C(NC[6a]Fe)(CCC)(H)	C(CH3)(CCC)(OFe)	C(CCO)2(CHN)	C(NC[6a]Fe)(CCC)(H)	C(CH3)(CCC)(OFe)	122.2468	0.469	4	122.2468	0.220	4	122.1599	0.448	18	121.8335	1.834	20	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:2:	C-3:C-3:C-3:	N-3:C-3:H-1:	C-4:C-3:O-2:	C(CCO)2(CHN)	C(NC[6a]Ni)(CCC)(H)	C(CH3)(CCC)(ONi)	C(CCO)2(CHN)	C(NC[6a]Ni)(CCC)(H)	C(CH3)(CCC)(ONi)	120.7840	0.113	2	120.7840	0.013	2	122.1599	0.448	18	121.8335	1.834	20	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:2:	C-3:C-3:C-3:	N-3:C-3:O-1:	C-4:C-3:O-2:	C(CCO)(CNO)(COO)	C(NC[6a]H)(CCC)(O)	C(CCHH)(CCC)(OH)	C(CCO)(CNO)(COO)	C(NC[6a]H)(CCC)(O)	C(CCHH)(CCC)(OH)	116.8890	0.000	1	116.8890	0.000	1	116.8890	0.000	1	121.8335	1.834	20	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:2:	C-3:C-3:C-3:	N-3:C-3:S-1:	C-4:C-3:O-2:	C(CCO)2(CNS)	C(NC[6a]H)(CCC)(S)	C(CH3)(CCC)(OH)	C(CCO)2(CNS)	C(NC[6a]H)(CCC)(S)	C(CH3)(CCC)(OH)	120.9020	0.000	1	120.9020	0.000	1	120.9020	0.000	1	121.8335	1.834	20	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:3:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-4:C-3:C-3:	C(CC[6a]N)(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(CCC)(O)	C(CHHO)(CCC)(CHH)	C(CC[6a]N)(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(CCC)(O)	C(CHHO)(CCC)(CHH)	118.0830	0.000	1	118.0830	0.000	1	116.1120	7.770	2	121.7624	45.549	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:3:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C-4:C-3:C-3:	C(CC[6a]O)(CCC)(CCH)	C(C[6a]C[6a]2)(CCC)(O)	C(CCHH)(CCC)(CCH)	C(CC[6a]O)(CCC)(CCH)	C(C[6a]C[6a]2)(CCC)(O)	C(CCHH)(CCC)(CCH)	114.1410	0.000	1	114.1410	0.000	1	116.1120	7.770	2	121.7624	45.549	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:3:	C-3:C-3:C-3:	C[6a]-3:C-3:O-1:	P-4:C-3:C-3:	C(CC[6a]O)(CCP)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(PO3)(CCC)(COO)	C(CC[6a]O)(CCP)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(PO3)(CCC)(COO)	122.9730	0.000	1	122.9730	0.000	1	122.9730	0.000	1	121.7624	45.549	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	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:C-3:	C(CCC)(CCO)(NOO)	C(CC[6]C)(CCN)(O)	C(CC3)(CCH)(CCN)	C(CCC)(CCO)(NOO)	C(CC[6]C)(CCN)(O)	C(CC3)(CCH)(CCN)	132.2020	0.000	1	132.2020	0.000	1	132.2020	0.000	1	121.7624	45.549	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	P-4:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]O)(CCP)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(PC[6a]2O)(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(CCP)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(PC[6a]2O)(CC[6a]C)(CCO)	121.4130	0.000	1	121.4130	0.000	1	121.4130	0.000	1	121.7624	45.549	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:1:	4:4:3:	C-3:C-3:N-3:	C-3:N-3:O-1:	C-4:C-4:C-3:	C(CCC)(CNO)(NCH)	C(CCN)(NCH)(O)	C(CH3)2(CCN)	C(CCC)(CNO)(NCH)	C(CCN)(NCH)(O)	C(CH3)2(CCN)	123.4640	0.000	1	123.4640	0.000	1	123.4640	0.000	1	123.4640	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:O-2:	C-3:O-2:O-1:	C(CCC)(CCO)(COO)	C(CCC)(CCO)(OH)	C(CCC)(OC)(O)	C(CCC)(CCO)(COO)	C(CCC)(CCO)(OH)	C(CCC)(OC)(O)	114.0130	0.000	1	114.0130	0.000	1	117.5567	18.994	6	120.2173	15.039	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:O-2:	C-3:O-2:O-1:	C(CCO)2(COO)	C(CCC)(CCH)(OH)	C(CCC)(OC)(O)	C(CCO)2(COO)	C(CCC)(CCH)(OH)	C(CCC)(OC)(O)	120.7020	0.000	1	120.7020	0.000	1	117.5567	18.994	6	120.2173	15.039	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:O-2:	C-3:O-2:O-1:	C(CCO)2(COO)	C(CCC)(CHP)(OH)	C(CCC)(OC)(O)	C(CCO)2(COO)	C(CCC)(CHP)(OH)	C(CCC)(OC)(O)	121.9060	0.412	2	121.9060	0.169	2	117.5567	18.994	6	120.2173	15.039	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:O-2:	C-3:O-2:O-1:	C(CC[6a]Re)(CCO)(COO)	C(CCC)(CCH)(OC)	C(CCC)(OC)(O)	C(CC[6a]Re)(CCO)(COO)	C(CCC)(CCH)(OC)	C(CCC)(OC)(O)	113.4065	0.261	2	113.4065	0.068	2	117.5567	18.994	6	120.2173	15.039	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:2:1:	C-3:C-3:C-3:	C-3:N-3:N-2:	C-3:O-2:O-1:	C(CC[6a]H)(CNN)(COO)	C(CCC)(NCC)(NS)	C(CCC)(OC)(O)	C(CC[6a]H)(CNN)(COO)	C(CCC)(NCC)(NS)	C(CCC)(OC)(O)	115.5460	0.000	1	115.5460	0.000	1	115.8035	0.133	2	120.2173	15.039	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:2:1:	C-3:C-3:C-3:	C-3:N-3:N-2:	C-3:O-2:O-1:	C(CC[6a]H)(CNN)(COO)	C(CCC)(NCH)(NS)	C(CCC)(OC)(O)	C(CC[6a]H)(CNN)(COO)	C(CCC)(NCH)(NS)	C(CCC)(OC)(O)	116.0610	0.000	1	116.0610	0.000	1	115.8035	0.133	2	120.2173	15.039	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:2:1:	C-3:C-3:C-3:	C[5a]-3:C-3:C-2:	C-3:O-2:O-1:	C(CC[5a]C)(CC[6a]O)(COO)	C(C[5a]C[5a]S[5a])(CCC)(CN)	C(CCC)(OC)(O)	C(CC[5a]C)(CC[6a]O)(COO)	C(C[5a]C[5a]S[5a])(CCC)(CN)	C(CCC)(OC)(O)	121.5280	0.000	1	121.5280	0.000	1	121.5280	0.000	1	120.2173	15.039	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:C-2:	C-3:O-2:O-1:	C(CC[6a]C)(CHN)(COO)	C(C[6a]C[6a]2)(CCC)(CC)	C(CCC)(OC)(O)	C(CC[6a]C)(CHN)(COO)	C(C[6a]C[6a]2)(CCC)(CC)	C(CCC)(OC)(O)	114.1980	0.000	1	114.1980	0.000	1	114.1980	0.000	1	120.2173	15.039	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-2:	C-3:O-2:O-1:	C(CC[6a]O)(CIrC)(COO)	C(C[6a]C[6a]2)(CCC)(OIr)	C(CCC)(OC)(O)	C(CC[6a]O)(CIrC)(COO)	C(C[6a]C[6a]2)(CCC)(OIr)	C(CCC)(OC)(O)	123.6290	0.000	1	123.6290	0.000	1	123.6290	0.000	1	120.2173	15.039	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:2:1:	C-3:C-3:C-3:	S-3:C-3:C-2:	C-3:O-2:O-1:	C(CCS)(COO)2	C(SC[6a]O)(CCC)(CN)	C(CCC)(OC)(O)	C(CCS)(COO)2	C(SC[6a]O)(CCC)(CN)	C(CCC)(OC)(O)	121.2005	0.047	2	121.2005	0.002	2	121.2005	0.002	2	120.2173	15.039	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:2:1:	C-3:C-3:N-3:	C-3:C-3:N-2:	C-3:N-2:H-1:	C(CCN)(CHN)(NCC)	C(CCN)(CCO)(NN)	C(CCN)(NN)(H)	C(CCN)(CHN)(NCC)	C(CCN)(CCO)(NN)	C(CCN)(NN)(H)	120.0540	0.000	1	120.0540	0.000	1	120.0540	0.000	1	120.2173	15.039	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:2:1:	C-3:C-3:N-3:	C-3:C-3:S-2:	C-3:O-2:O-1:	C(CCS)(COO)(NCN)	C(CCN)(COO)(SC)	C(CCN)(OC)(O)	C(CCS)(COO)(NCN)	C(CCN)(COO)(SC)	C(CCN)(OC)(O)	122.8160	0.000	1	122.8160	0.000	1	122.8160	0.000	1	120.2173	15.039	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:2:1:	C-3:C-3:N-3:	C[6a]-3:C-3:O-2:	C-3:O-2:O-1:	C(CC[6a]O)(COO)(NCH)	C(C[6a]C[6a]2)(CCN)(OC)	C(CCN)(OC)(O)	C(CC[6a]O)(COO)(NCH)	C(C[6a]C[6a]2)(CCN)(OC)	C(CCN)(OC)(O)	124.5640	0.000	1	124.5640	0.000	1	124.5640	0.000	1	120.2173	15.039	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:2:1:	C[6]-3:C-3:C-3:	C-3:N-3:N-2:	C-3:O-2:H-1:	C(C[6]C[6]2)(CHO)(CNN)	C(CC[6]C)(NCC)(NS)	C(CC[6]C)(OC)(H)	C(C[6]C[6]2)(CHO)(CNN)	C(CC[6]C)(NCC)(NS)	C(CC[6]C)(OC)(H)	117.0070	0.000	1	117.0070	0.000	1	117.0070	0.000	1	120.2173	15.039	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:C-3:	C-3:C-3:C-2:	C-3:C-2:H-1:	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)(CC[6a]H)(CC)	C(CC[6a]C)(CN)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)(CC[6a]H)(CC)	C(CC[6a]C)(CN)(H)	120.7730	1.102	2	120.7730	1.214	2	120.7730	1.214	2	120.2173	15.039	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:C-3:	C-3:N-3:N-2:	C-3:O-2:H-1:	C(C[6a]C[6a]2)(CHO)(CNN)	C(CC[6a]C)(NCC)(NS)	C(CC[6a]C)(OC)(H)	C(C[6a]C[6a]2)(CHO)(CNN)	C(CC[6a]C)(NCC)(NS)	C(CC[6a]C)(OC)(H)	116.8720	0.000	1	116.8720	0.000	1	116.8720	0.000	1	120.2173	15.039	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:O-2:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(OC)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(OC)	C(CC[6a]C)(OC)(O)	119.6020	0.000	1	119.6020	0.000	1	119.5120	0.016	2	120.2173	15.039	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:O-2:	C-3:O-2:O-1:	C(C[6a]C[6a]N[6a])(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(OH)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]N[6a])(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(OH)	C(CC[6a]C)(OC)(O)	119.4220	0.000	1	119.4220	0.000	1	119.5120	0.016	2	120.2173	15.039	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:O-2:	C-3:S-2:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(COS)	C(C[6a]C[6a]2)(CC[6a]C)(OH)	C(CC[6a]C)(SC)(O)	C(C[6a]C[6a]2)(CC[6a]O)(COS)	C(C[6a]C[6a]2)(CC[6a]C)(OH)	C(CC[6a]C)(SC)(O)	118.8670	0.000	1	118.8670	0.000	1	118.8670	0.000	1	120.2173	15.039	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:2:1:	N-3:C-3:C-3:	N-3:C-3:C-2:	C-3:C-2:H-1:	C(NFeC)(CCH)(CCN)	C(NFeC)(CCN)(CC)	C(CCN)(CC)(H)	C(NFeC)(CCH)(CCN)	C(NFeC)(CCN)(CC)	C(CCN)(CC)(H)	124.5280	0.000	1	124.5280	0.000	1	124.5280	0.000	1	120.2173	15.039	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:2:1:	N[6]-3:C-3:C-3:	C-3:C-3:S-2:	C-3:O-2:O-1:	C(N[6]C[6]2)(CCS)(COO)	C(CC[6a]O)(CN[6]C)(SC[6a])	C(CN[6]C)(OC)(O)	C(N[6]C[6]2)(CCS)(COO)	C(CC[6a]O)(CN[6]C)(SC[6a])	C(CN[6]C)(OC)(O)	118.5910	0.000	1	118.5910	0.000	1	118.5910	0.000	1	120.2173	15.039	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:2:1:	S-3:C-3:C-3:	C-3:C-3:S-2:	C-3:O-2:O-1:	C(SMo2)(CCS)(COO)	C(CCS)(COO)(SMo)	C(CCS)(OC)(O)	C(SMo2)(CCS)(COO)	C(CCS)(COO)(SMo)	C(CCS)(OC)(O)	124.6153	3.235	3	124.6153	10.464	3	124.7896	7.619	5	120.2173	15.039	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:2:1:	S-3:C-3:C-3:	C-3:C-3:S-2:	C-3:O-2:O-1:	C(SRhC)(CCS)(COO)	C(CCS)(COO)(SRh)	C(CCS)(OC)(O)	C(SRhC)(CCS)(COO)	C(CCS)(COO)(SRh)	C(CCS)(OC)(O)	125.0510	3.053	2	125.0510	9.323	2	124.7896	7.619	5	120.2173	15.039	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:2:2:	C-3:C-3:C-3:	C-3:C-3:C-2:	C-3:C-2:C-2:	C(CC[6a]C)(CCC)2	C(CC[6a]C)(CCC)(CN)	C(CCC)(CN)2	C(CC[6a]C)(CCC)2	C(CC[6a]C)(CCC)(CN)	C(CCC)(CN)2	121.0833	0.522	3	121.0833	0.273	3	121.0833	0.273	3	122.4176	18.647	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:2:2:	C-3:C-3:N-3:	C-3:C-3:C-2:	C-3:C-2:C-2:	C(CCC)2(NHH)	C(CC[6a]C)(CCN)(CN)	C(CCN)(CN)2	C(CCC)2(NHH)	C(CC[6a]C)(CCN)(CN)	C(CCN)(CN)2	119.2270	0.000	1	119.2270	0.000	1	119.2270	0.000	1	122.4176	18.647	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:2:2:	C-3:C-3:N-3:	C-3:C-3:S-2:	C-3:S-2:S-2:	C(CCS)(CSS)(NOO)	C(CCl2)(CCN)(SC)	C(CCN)(SC)2	C(CCS)(CSS)(NOO)	C(CCl2)(CCN)(SC)	C(CCN)(SC)2	127.3790	0.000	1	127.3790	0.000	1	127.3790	0.000	1	122.4176	18.647	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:2:2:	C[6]-3:C-3:C-3:	C[5]-3:C-3:C-2:	C-3:C-2:C-2:	C(C[6]C[6]2)(CC[5]C)(CCC)	C(C[5]S[5]2)(CC[6]C)(CN)	C(CC[6]C)(CN)2	C(C[6]C[6]2)(CC[5]C)(CCC)	C(C[5]S[5]2)(CC[6]C)(CN)	C(CC[6]C)(CN)2	126.1050	0.000	1	126.1050	0.000	1	126.1050	0.000	1	122.4176	18.647	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:C-3:	C-3:C-3:C-2:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CCC)2	C(CC[6a]C)(CCC)(CC)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CCC)2	C(CC[6a]C)(CCC)(CC)	C(CC[6a]C)(CN)2	118.4030	0.000	1	118.4030	0.000	1	119.6850	16.222	4	122.4176	18.647	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:C-3:	C-3:C-3:C-2:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CCC)2	C(CC[6a]C)(CCC)(CN)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CCC)2	C(CC[6a]C)(CCC)(CN)	C(CC[6a]C)(CN)2	116.6400	0.000	1	116.6400	0.000	1	119.6850	16.222	4	122.4176	18.647	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:C-3:	C-3:C-3:C-2:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CCC)2	C(CC[6a]C)(CCH)(CN)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CCC)2	C(CC[6a]C)(CCH)(CN)	C(CC[6a]C)(CN)2	121.8485	5.328	2	121.8485	28.388	2	119.6850	16.222	4	122.4176	18.647	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:2:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-2:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CRu)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CRu)	C(CC[6a]C)(CN)2	123.4520	0.000	1	123.4520	0.000	1	123.4520	0.000	1	122.4176	18.647	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:2:2:	S-3:C-3:C-3:	C-3:C-3:C-2:	C-3:C-2:C-2:	C(SRuC)(CCC)2	C(CRuS)(CCS)(CC)	C(CCS)(CN)2	C(SRuC)(CCC)2	C(CRuS)(CCS)(CC)	C(CCS)(CN)2	130.8580	0.000	1	130.8580	0.000	1	130.8580	0.000	1	122.4176	18.647	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:3:1:	C-3:C-3:C-3:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CC[6a]O)(CCH)(CCO)	C(CCC)(CCH)(OC)	C(CCC)(CCH)(H)	C(CC[6a]O)(CCH)(CCO)	C(CCC)(CCH)(OC)	C(CCC)(CCH)(H)	125.0490	0.000	1	125.0490	0.000	1	125.0490	0.000	1	122.5619	8.236	48	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:3:1:	C-3:C-3:C-3:	C-3:C-3:O-2:	C-3:C-3:O-1:	C(CCO)3	C(CC[6a]C)(CCC)(OH)	C(CC[6a]C)(CCC)(O)	C(CCO)3	C(CC[6a]C)(CCC)(OH)	C(CC[6a]C)(CCC)(O)	124.1430	0.000	1	124.1430	0.000	1	123.8107	0.092	3	122.5619	8.236	48	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:3:1:	C-3:C-3:C-3:	C-3:C-3:O-2:	C-3:C-3:O-1:	C(CC[6a]O)(CCO)2	C(CCC)(CCH)(OH)	C(CClC)(CCC)(O)	C(CC[6a]O)(CCO)2	C(CCC)(CCH)(OH)	C(CClC)(CCC)(O)	123.6445	0.136	2	123.6445	0.019	2	123.8107	0.092	3	122.5619	8.236	48	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:3:1:	C-3:C-3:C-3:	C[5a]-3:C-3:C-2:	C[6a]-3:C-3:O-1:	C(CC[5a]C)(CC[6a]O)(COO)	C(C[5a]C[5a]S[5a])(CCC)(CN)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[5a]C)(CC[6a]O)(COO)	C(C[5a]C[5a]S[5a])(CCC)(CN)	C(C[6a]C[6a]2)(CCC)(O)	122.4130	0.000	1	122.4130	0.000	1	122.4130	0.000	1	122.5619	8.236	48	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:C-2:	C-3:N-3:H-1:	C(CC[6a]C)(CHN)(COO)	C(C[6a]C[6a]2)(CCC)(CC)	C(CCC)(NCC)(H)	C(CC[6a]C)(CHN)(COO)	C(C[6a]C[6a]2)(CCC)(CC)	C(CCC)(NCC)(H)	125.4500	0.000	1	125.4500	0.000	1	125.4500	0.000	1	122.5619	8.236	48	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:O-1:	C(CC[6a]C)(CC[6a]O)2	C(C[6a]C[6a]2)(CCC)(OH)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]C)(CC[6a]O)2	C(C[6a]C[6a]2)(CCC)(OH)	C(C[6a]C[6a]2)(CCC)(O)	117.3500	0.000	1	117.3500	0.000	1	117.3500	0.000	1	122.5619	8.236	48	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:3:1:	C-3:C-3:C-3:	N-3:C-3:N-2:	N-3:C-3:O-1:	C(CC[6a]N)(CNN)(CNO)	C(NC[6a]H)(CCC)(NS)	C(NC[6a]H)(CCC)(O)	C(CC[6a]N)(CNN)(CNO)	C(NC[6a]H)(CCC)(NS)	C(NC[6a]H)(CCC)(O)	119.9030	0.754	5	119.9030	0.568	5	119.9030	0.568	5	122.5619	8.236	48	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:3:1:	C-3:C-3:N-3:	C-3:C-3:N-2:	C-3:C-3:H-1:	C(CCH)(CCN)(NCH)	C(CCH)(CCN)(NC)	C(CCH)(CCN)(H)	C(CCH)(CCN)(NCH)	C(CCH)(CCN)(NC)	C(CCH)(CCN)(H)	126.1440	0.380	2	126.1440	0.145	2	125.9157	0.229	3	122.5619	8.236	48	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:3:1:	C-3:C-3:N-3:	C-3:C-3:N-2:	C-3:C-3:H-1:	C(CCH)(CCN)(NCH)	C(CCH)(CCN)(NS)	C(CCH)(CCN)(H)	C(CCH)(CCN)(NCH)	C(CCH)(CCN)(NS)	C(CCH)(CCN)(H)	125.4590	0.000	1	125.4590	0.000	1	125.9157	0.229	3	122.5619	8.236	48	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:3:1:	C-3:C-3:N-3:	C[6a]-3:C-3:O-2:	N-3:C-3:O-1:	C(CC[6a]O)(CNO)(NCC)	C(C[6a]C[6a]2)(CCN)(OH)	C(NC[6]H)(CCN)(O)	C(CC[6a]O)(CNO)(NCC)	C(C[6a]C[6a]2)(CCN)(OH)	C(NC[6]H)(CCN)(O)	119.5490	0.000	1	119.5490	0.000	1	119.5490	0.000	1	122.5619	8.236	48	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:3:1:	C-3:C-3:N-3:	N[6]-3:C-3:S-2:	C-3:C-3:Cl-1:	C(CN[6]S)(CClC)(NOO)	C(N[6]C[6]2)(CCN)(SC)	C(CCl2)(CCN)(Cl)	C(CN[6]S)(CClC)(NOO)	C(N[6]C[6]2)(CCN)(SC)	C(CCl2)(CCN)(Cl)	123.7333	0.181	3	123.7333	0.033	3	123.7333	0.033	3	122.5619	8.236	48	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C-3:C-3:	C[6a]-3:C-3:O-2:	C-3:N-3:O-1:	C(C[5a]C[5a]2)(CC[6a]O)(CNO)	C(C[6a]C[6a]2)(CC[5a]C)(OH)	C(CC[5a]C)(NHH)(O)	C(C[5a]C[5a]2)(CC[6a]O)(CNO)	C(C[6a]C[6a]2)(CC[5a]C)(OH)	C(CC[5a]C)(NHH)(O)	118.4280	0.000	1	118.4280	0.000	1	118.4280	0.000	1	122.5619	8.236	48	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:3:1:	C[6,6]-3:C-3:C-3:	C[6a]-3:C-3:N-2:	C[6a]-3:C-3:O-1:	C(C[6,6]C[3x6]2)(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6,6]C)(NH)	C(C[6a]C[6a]2)(CC[6,6]C)(O)	C(C[6,6]C[3x6]2)(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6,6]C)(NH)	C(C[6a]C[6a]2)(CC[6,6]C)(O)	112.8100	0.000	1	112.8100	0.000	1	112.8100	0.000	1	122.5619	8.236	48	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C-3:C-3:	C-3:C-3:C-2:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)(CCN)(CN)	C(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)(CCN)(CN)	C(CC[6a]C)2(H)	119.3780	0.000	1	119.3780	0.000	1	122.2775	4.384	6	122.5619	8.236	48	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C-3:C-3:	C-3:C-3:C-2:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)(CC[6a]H)(CC)	C(CC[6a]C)(CHO)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)(CC[6a]H)(CC)	C(CC[6a]C)(CHO)(H)	121.2305	0.281	2	121.2305	0.079	2	122.2775	4.384	6	122.5619	8.236	48	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C-3:C-3:	C-3:C-3:C-2:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)2(CN)	C(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)2(CN)	C(CC[6a]C)2(H)	123.9420	1.211	3	123.9420	1.466	3	122.2775	4.384	6	122.5619	8.236	48	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C-3:C-3:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(CCO)	C(CC[6a]C)(CNO)(OC)	C(CC[6a]C)(CHH)(H)	C(C[6a]C[6a]2)(CCH)(CCO)	C(CC[6a]C)(CNO)(OC)	C(CC[6a]C)(CHH)(H)	120.6110	0.000	1	120.6110	0.000	1	120.6110	0.000	1	122.5619	8.236	48	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:O-2:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(OC[6a])	C(CC[6a]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(OC[6a])	C(CC[6a]C)(CC[6a]H)(H)	122.7000	0.000	1	122.7000	0.000	1	122.7000	0.000	1	122.5619	8.236	48	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:O-2:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(CNO)	C(C[6a]C[6a]2)(CC[6a]C)(OC)	C(CC[6a]C)(NCH)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CNO)	C(C[6a]C[6a]2)(CC[6a]C)(OC)	C(CC[6a]C)(NCH)(O)	119.5420	1.008	2	119.5420	1.017	2	119.5420	1.017	2	122.5619	8.236	48	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)2	C(C[6a]C[6a]2)(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[6a]O)2	C(C[6a]C[6a]2)(CC[6a]C)(OH)	C(C[6a]C[6a]2)(CC[6a]C)(O)	117.3530	0.000	1	117.3530	0.000	1	117.3530	0.000	1	122.5619	8.236	48	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:3:1:	N-3:C-3:C-3:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(NAlC)(CCH)(CCO)	C(CCH)(CCN)(OAl)	C(CCH)(CCN)(H)	C(NAlC)(CCH)(CCO)	C(CCH)(CCN)(OAl)	C(CCH)(CCN)(H)	124.1010	0.893	3	124.1010	0.797	3	123.9551	0.783	14	122.5619	8.236	48	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:3:1:	N-3:C-3:C-3:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(NC[6a]Ni)(CCH)(CCO)	C(CCH)(CCN)(ONi)	C(CCH)(CCN)(H)	C(NC[6a]Ni)(CCH)(CCO)	C(CCH)(CCN)(ONi)	C(CCH)(CCN)(H)	124.7115	0.528	2	124.7115	0.279	2	123.9551	0.783	14	122.5619	8.236	48	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:3:1:	N-3:C-3:C-3:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(NCuC)(CCH)(CCO)	C(CCH)(CCN)(OCu)	C(CCH)(CCN)(H)	C(NCuC)(CCH)(CCO)	C(CCH)(CCN)(OCu)	C(CCH)(CCN)(H)	124.0824	0.745	5	124.0824	0.554	5	123.9551	0.783	14	122.5619	8.236	48	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:3:1:	N-3:C-3:C-3:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(NPdC)(CCH)(CCO)	C(CCH)(CCN)(OPd)	C(CCH)(CCN)(H)	C(NPdC)(CCH)(CCO)	C(CCH)(CCN)(OPd)	C(CCH)(CCN)(H)	123.9920	0.642	2	123.9920	0.412	2	123.9551	0.783	14	122.5619	8.236	48	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:3:1:	N-3:C-3:C-3:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(NSnC)(CCH)(CCO)	C(CCH)(CCN)(OSn)	C(CCH)(CCN)(H)	C(NSnC)(CCH)(CCO)	C(CCH)(CCN)(OSn)	C(CCH)(CCN)(H)	122.6250	0.916	2	122.6250	0.840	2	123.9551	0.783	14	122.5619	8.236	48	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:3:1:	N[5a]-3:C-3:C-3:	C[6a]-3:C-3:O-2:	C-3:N-3:S-1:	C(N[5a]C[5a,6a]N[5a])(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(CN[5a]C)(OH)	C(CN[5a]C)(NC[6a]H)(S)	C(N[5a]C[5a,6a]N[5a])(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(CN[5a]C)(OH)	C(CN[5a]C)(NC[6a]H)(S)	126.6205	0.579	2	126.6205	0.335	2	126.6205	0.335	2	122.5619	8.236	48	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:C-3:	C-3:C-3:C-2:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)2	C(CC[6a]C)(CCC)(CN)	C(CC[6a]C)2(CN)	C(C[6a]C[6a]2)(CCC)2	C(CC[6a]C)(CCC)(CN)	C(CC[6a]C)2(CN)	120.2977	0.682	3	120.2977	0.466	3	120.4590	0.415	4	121.6148	6.990	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:C-3:	C-3:C-3:C-2:	C-3:C-3:C-2:	C(C[6a]C[6a]2)(CCC)2	C(CC[6a]C)(CRuC)(CN)	C(CC[6a]C)(CRuN)(CN)	C(C[6a]C[6a]2)(CCC)2	C(CC[6a]C)(CRuC)(CN)	C(CC[6a]C)(CRuN)(CN)	120.9430	0.000	1	120.9430	0.000	1	120.4590	0.415	4	121.6148	6.990	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:3:2:	C[6a]-3:C-3:C-3:	C-3:C-3:O-2:	C-3:C-3:O-2:	C(C[6a]C[6a]2)(CCO)2	C(CC[6a]C)(CCC)(OH)	C(CC[6a]C)(CCH)(OC)	C(C[6a]C[6a]2)(CCO)2	C(CC[6a]C)(CCC)(OH)	C(CC[6a]C)(CCH)(OC)	126.2380	0.000	1	126.2380	0.000	1	126.2380	0.000	1	121.6148	6.990	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:3:3:	C-3:C-3:C-3:	C-3:C-3:O-2:	C-3:C-3:C-3:	C(CCC)(CCO)(COO)	C(CCC)(CCO)(OH)	C(CCC)2(COO)	C(CCC)(CCO)(COO)	C(CCC)(CCO)(OH)	C(CCC)2(COO)	129.8860	0.000	1	129.8860	0.000	1	129.8860	0.000	1	127.0230	16.394	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:3:3:	C-3:C-3:C-3:	C[6a]-3:C-3:N-2:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]2)(CC[6a]N)(CCO)	C(C[6a]C[6a]2)(CCC)(NC)	C(C[6a]C[6a]2)2(CCC)	C(CC[6a]2)(CC[6a]N)(CCO)	C(C[6a]C[6a]2)(CCC)(NC)	C(C[6a]C[6a]2)2(CCC)	124.1600	0.000	1	124.1600	0.000	1	124.1600	0.000	1	127.0230	16.394	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C-3:C-3:	C-3:C-3:C-2:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)(CC[6a]H)(CC)	C(CC[6a]C)(CHHO)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)(CC[6a]H)(CC)	C(CC[6a]C)(CHHO)(H)	121.7185	0.666	4	121.7185	0.444	4	121.7185	0.444	4	121.4320	0.743	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:N-2:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]N)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(NN)	C(CC[6a]C)(CCCH)(H)	C(C[6a]C[6a]2)(CC[6a]N)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(NN)	C(CC[6a]C)(CCCH)(H)	120.2860	0.000	1	120.2860	0.000	1	120.2860	0.000	1	121.4320	0.743	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	3:4:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:O-2:	C-3:S-4:C-2:	C(C[6a]C[6a]2)(CC[6a]O)(CCS)	C(C[6a]C[6a]2)(CC[6a]C)(OC)	C(CC[6a]C)(SC3)(CO)	C(C[6a]C[6a]2)(CC[6a]O)(CCS)	C(C[6a]C[6a]2)(CC[6a]C)(OC)	C(CC[6a]C)(SC3)(CO)	120.4140	0.000	1	120.4140	0.000	1	120.4140	0.000	1	120.4140	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	4:3:1:	C-3:C-3:C-3:	C-3:C-3:O-2:	C-4:C-3:O-1:	C(CCO)2(COO)	C(CCC)(CCH)(OH)	C(CH3)(CCC)(O)	C(CCO)2(COO)	C(CCC)(CCH)(OH)	C(CH3)(CCC)(O)	118.2970	0.000	1	118.2970	0.000	1	118.8038	0.495	5	117.6928	7.802	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	4:3:1:	C-3:C-3:C-3:	C-3:C-3:O-2:	C-4:C-3:O-1:	C(CCO)2(COO)	C(CCC)(CHP)(OH)	C(CH3)(CCC)(O)	C(CCO)2(COO)	C(CCC)(CHP)(OH)	C(CH3)(CCC)(O)	119.1700	0.901	2	119.1700	0.812	2	118.8038	0.495	5	117.6928	7.802	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	4:3:1:	C-3:C-3:C-3:	C-3:C-3:O-2:	C-4:C-3:O-1:	C(CCO)3	C(CC[6a]C)(CCC)(OH)	C(CH3)(CCC)(O)	C(CCO)3	C(CC[6a]C)(CCC)(OH)	C(CH3)(CCC)(O)	118.1350	0.000	1	118.1350	0.000	1	118.8038	0.495	5	117.6928	7.802	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	4:3:1:	C-3:C-3:C-3:	C-3:C-3:O-2:	C-4:C-3:O-1:	C(CC[6a]H)(CCO)2	C(CC[6a]H)(CCC)(OC)	C(CH3)(CCC)(O)	C(CC[6a]H)(CCO)2	C(CC[6a]H)(CCC)(OC)	C(CH3)(CCC)(O)	119.2470	0.000	1	119.2470	0.000	1	118.8038	0.495	5	117.6928	7.802	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:2:	4:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:N-2:	C-4:C-3:O-1:	C(CC[6a]2)(CC[6a]N)(CCO)	C(C[6a]C[6a]2)(CCC)(NC)	C(CC[6a]HH)(CCC)(O)	C(CC[6a]2)(CC[6a]N)(CCO)	C(C[6a]C[6a]2)(CCC)(NC)	C(CC[6a]HH)(CCC)(O)	112.1380	0.000	1	112.1380	0.000	1	112.1380	0.000	1	117.6928	7.802	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:1:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:H-1:H-1:	C(CC[6]C)(CCC)(CHH)	C(CC[6]C)(CCC)(CHH)	C(CCC)(H)2	C(CC[6]C)(CCC)(CHH)	C(CC[6]C)(CCC)(CHH)	C(CCC)(H)2	122.4290	0.000	1	122.4290	0.000	1	122.4290	0.000	1	120.4993	4.031	23	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:1:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:H-1:O-1:	C(CC[5a]H)(CCC)(CHO)	C(CC[5a]H)(CCC)(CHO)	C(CCC)(H)(O)	C(CC[5a]H)(CCC)(CHO)	C(CC[5a]H)(CCC)(CHO)	C(CCC)(H)(O)	117.5580	0.173	2	117.5580	0.030	2	117.5580	0.030	2	120.4993	4.031	23	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:1:1:	C-3:C-3:C-3:	C[5a]-3:C[6a]-3:C-3:	C-3:H-1:O-1:	C(CC[5a]C[6a])(CC[6a]O)(CHO)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCC)	C(CCC)(H)(O)	C(CC[5a]C[6a])(CC[6a]O)(CHO)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCC)	C(CCC)(H)(O)	123.6950	0.000	1	123.6950	0.000	1	123.6950	0.000	1	120.4993	4.031	23	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:1:1:	C-3:C-3:C-3:	C[6]-3:C-3:C-3:	C-3:H-1:H-1:	C(CC[6]C)(CCC)(CHH)	C(C[6]C[6]2)(CCC)(CHH)	C(CCC)(H)2	C(CC[6]C)(CCC)(CHH)	C(C[6]C[6]2)(CCC)(CHH)	C(CCC)(H)2	118.5680	0.000	1	118.5680	0.000	1	118.5680	0.000	1	120.4993	4.031	23	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:1:1:	C-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:H-1:H-1:	C(CC[6a]C)(CCO)(CHH)	C(C[6a]C[6a]2)(CCC)(CHS)	C(CCC)(H)2	C(CC[6a]C)(CCO)(CHH)	C(C[6a]C[6a]2)(CCC)(CHS)	C(CCC)(H)2	122.4490	0.141	2	122.4490	0.020	2	122.4490	0.020	2	120.4993	4.031	23	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:1:1:	C-3:C-3:N-3:	C[6a]-3:C-3:C-3:	C-3:H-1:O-1:	C(CC[6a]C)(CHO)(NSS)	C(C[6a]C[6a]2)(CCH)(CCN)	C(CCN)(H)(O)	C(CC[6a]C)(CHO)(NSS)	C(C[6a]C[6a]2)(CCH)(CCN)	C(CCN)(H)(O)	123.5640	0.000	1	123.5640	0.000	1	123.5640	0.000	1	120.4993	4.031	23	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C-3:C-3:	C-3:C-3:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2)(CCC)(CHH)	C(CC[6]C)(CCC)(CHH)	C(CC[6]C)(H)2	C(C[6]C[6]2)(CCC)(CHH)	C(CC[6]C)(CCC)(CHH)	C(CC[6]C)(H)2	118.9290	0.000	1	118.9290	0.000	1	118.9290	0.000	1	120.4993	4.031	23	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:1:1:	C[6]-3:C-3:C-3:	C[6]-3:C-3:C-3:	C-3:H-1:H-1:	C(C[6]C[6]2)(CC[6]C)(CHH)	C(C[6]C[6]2)(CC[6]C)(CHH)	C(CC[6]C)(H)2	C(C[6]C[6]2)(CC[6]C)(CHH)	C(C[6]C[6]2)(CC[6]C)(CHH)	C(CC[6]C)(H)2	119.3310	0.684	4	119.3310	0.467	4	119.3310	0.467	4	120.4993	4.031	23	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:C-3:	C-3:C-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCC)(CHH)	C(CC[6a]C)(CCC)(CHS)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCC)(CHH)	C(CC[6a]C)(CCC)(CHS)	C(CC[6a]C)(H)2	120.7370	0.000	1	120.7370	0.000	1	120.0415	0.967	2	120.4993	4.031	23	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:C-3:	C-3:C-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCC)(CHH)	C(CC[6a]C)(CCH)(COO)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCC)(CHH)	C(CC[6a]C)(CCH)(COO)	C(CC[6a]C)(H)2	119.3460	0.000	1	119.3460	0.000	1	120.0415	0.967	2	120.4993	4.031	23	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[6a]C)(CHH)	C(C[6a]C[6a]2)(CC[6a]C)(CHH)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[6a]C)(CHH)	C(C[6a]C[6a]2)(CC[6a]C)(CHH)	C(CC[6a]C)(H)2	119.2755	0.114	2	119.2755	0.013	2	119.2755	0.013	2	120.4993	4.031	23	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:H-1:I-1:	C(C[6a]C[6a]2)(CC[6a]C)(CHI)	C(C[6a]C[6a]2)(CC[6a]C)(CHI)	C(CC[6a]C)(H)(I)	C(C[6a]C[6a]2)(CC[6a]C)(CHI)	C(C[6a]C[6a]2)(CC[6a]C)(CHI)	C(CC[6a]C)(H)(I)	120.9390	2.506	2	120.9390	6.280	2	120.9390	6.280	2	120.4993	4.031	23	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:N-3:	C-3:H-1:O-1:	C(C[6a]C[6a]2)(CC[6a]N)(CHO)	C(C[6a]C[6a]2)(CC[6a]C)(NCH)	C(CC[6a]C)(H)(O)	C(C[6a]C[6a]2)(CC[6a]N)(CHO)	C(C[6a]C[6a]2)(CC[6a]C)(NCH)	C(CC[6a]C)(H)(O)	120.0850	0.925	2	120.0850	0.855	2	120.0850	0.855	2	120.4993	4.031	23	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:1:1:	N[6]-3:C-3:C-3:	N[6]-3:C-3:C-3:	C-3:O-1:O-1:	C(N[6]C[6]2)(CN[6]C)(COO)	C(N[6]C[6]2)(CN[6]C)(COO)	C(CN[6]C)(O)2	C(N[6]C[6]2)(CN[6]C)(COO)	C(N[6]C[6]2)(CN[6]C)(COO)	C(CN[6]C)(O)2	123.1395	1.071	2	123.1395	1.148	2	123.1395	1.148	2	120.4993	4.031	23	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:H-1:	C(CCC)(CHO)(COO)	C(CCC)(CHN)(COO)	C(CCC)(OC)(H)	C(CCC)(CHO)(COO)	C(CCC)(CHN)(COO)	C(CCC)(OC)(H)	124.6470	0.000	1	124.6470	0.000	1	124.6470	0.000	1	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CBrC)(CCC)(COO)	C(CPdC)(CCC)(COO)	C(CCC)(OC)(O)	C(CBrC)(CCC)(COO)	C(CPdC)(CCC)(COO)	C(CCC)(OC)(O)	117.4065	0.982	2	117.4065	0.965	2	118.0873	9.212	61	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CCC)(CCH)(COO)	C(CCC)(CHN)(COO)	C(CCC)(OC)(O)	C(CCC)(CCH)(COO)	C(CCC)(CHN)(COO)	C(CCC)(OC)(O)	116.6880	0.000	1	116.6880	0.000	1	118.0873	9.212	61	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CCC)(CCH)(COO)	C(CC[5]H)(CCC)(COO)	C(CCC)(OC)(O)	C(CCC)(CCH)(COO)	C(CC[5]H)(CCC)(COO)	C(CCC)(OC)(O)	118.9980	0.000	1	118.9980	0.000	1	118.0873	9.212	61	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CCC)(CCH)(COO)	C(CC[6a]C)(CCC)(COO)	C(CCC)(OC)(O)	C(CCC)(CCH)(COO)	C(CC[6a]C)(CCC)(COO)	C(CCC)(OC)(O)	121.4700	0.000	1	121.4700	0.000	1	118.0873	9.212	61	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CCC)(CCH)(COO)	C(CN[5]C)(CCC)(COO)	C(CCC)(OC)(O)	C(CCC)(CCH)(COO)	C(CN[5]C)(CCC)(COO)	C(CCC)(OC)(O)	116.9760	0.000	1	116.9760	0.000	1	118.0873	9.212	61	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CCC)(CCH)(COO)	C(CN[6]C)(CCC)(COO)	C(CCC)(OC)(O)	C(CCC)(CCH)(COO)	C(CN[6]C)(CCC)(COO)	C(CCC)(OC)(O)	116.0930	0.000	1	116.0930	0.000	1	118.0873	9.212	61	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CCC)(CCH)(COO)	C(CP[6]H)(CCC)2	C(CCC)(OC)(O)	C(CCC)(CCH)(COO)	C(CP[6]H)(CCC)2	C(CCC)(OC)(O)	115.5140	0.000	1	115.5140	0.000	1	118.0873	9.212	61	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CCC)(CCH)(COO)	C(CPdC)(CCC)(COO)	C(CCC)(OC)(O)	C(CCC)(CCH)(COO)	C(CPdC)(CCC)(COO)	C(CCC)(OC)(O)	115.3330	0.000	1	115.3330	0.000	1	118.0873	9.212	61	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CCC)(CCS)(COO)	C(CCC)(CCS)(COO)	C(CCC)(OC)(O)	C(CCC)(CCS)(COO)	C(CCC)(CCS)(COO)	C(CCC)(OC)(O)	114.9170	0.000	1	114.9170	0.000	1	118.0873	9.212	61	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CCC)(CCS)(COO)	C(CCoC)(CCC)(COO)	C(CCC)(OC)(O)	C(CCC)(CCS)(COO)	C(CCoC)(CCC)(COO)	C(CCC)(OC)(O)	112.1440	0.000	1	112.1440	0.000	1	118.0873	9.212	61	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CCC)(CHN)(COO)	C(CCC)(CCH)(COO)	C(CCC)(OC)(O)	C(CCC)(CHN)(COO)	C(CCC)(CCH)(COO)	C(CCC)(OC)(O)	117.9080	0.000	1	117.9080	0.000	1	118.0873	9.212	61	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CCC)(CHN)(COO)	C(CCC)(CHO)(COO)	C(CCC)(OC)(O)	C(CCC)(CHN)(COO)	C(CCC)(CHO)(COO)	C(CCC)(OC)(O)	118.3890	0.000	1	118.3890	0.000	1	118.0873	9.212	61	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CCC)(CHO)(COO)	C(CCC)(CHN)(COO)	C(CCC)(OC)(O)	C(CCC)(CHO)(COO)	C(CCC)(CHN)(COO)	C(CCC)(OC)(O)	119.4890	0.000	1	119.4890	0.000	1	118.0873	9.212	61	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CCC)(COO)2	C(CC[5]C)(CCC)(COO)	C(CCC)(OC)(O)	C(CCC)(COO)2	C(CC[5]C)(CCC)(COO)	C(CCC)(OC)(O)	121.7460	0.904	2	121.7460	0.817	2	118.0873	9.212	61	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CCC)2(COO)	C(CCC)(CCO)(COO)	C(CCC)(OC)(O)	C(CCC)2(COO)	C(CCC)(CCO)(COO)	C(CCC)(OC)(O)	116.1780	0.000	1	116.1780	0.000	1	118.0873	9.212	61	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CCC)2(COO)	C(CIrC)(CCC)(COO)	C(CCC)(OC)(O)	C(CCC)2(COO)	C(CIrC)(CCC)(COO)	C(CCC)(OC)(O)	115.4161	2.841	9	115.4161	8.073	9	118.0873	9.212	61	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CCC)2(COO)	C(CN[6]C)(CCC)(COO)	C(CCC)(OC)(O)	C(CCC)2(COO)	C(CN[6]C)(CCC)(COO)	C(CCC)(OC)(O)	117.7260	0.000	1	117.7260	0.000	1	118.0873	9.212	61	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CC[5]H)(CCC)(COO)	C(CCC)(CCH)(COO)	C(CCC)(OC)(O)	C(CC[5]H)(CCC)(COO)	C(CCC)(CCH)(COO)	C(CCC)(OC)(O)	120.3890	0.000	1	120.3890	0.000	1	118.0873	9.212	61	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CC[5a]H)(CCC)(COO)	C(CC[5a]H)(CCC)(COO)	C(CCC)(OC)(O)	C(CC[5a]H)(CCC)(COO)	C(CC[5a]H)(CCC)(COO)	C(CCC)(OC)(O)	118.4450	0.495	2	118.4450	0.245	2	118.0873	9.212	61	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CC[6a]2)(CCC)(COO)	C(CC[6a]2)(CCC)(COO)	C(CCC)(OC)(O)	C(CC[6a]2)(CCC)(COO)	C(CC[6a]2)(CCC)(COO)	C(CCC)(OC)(O)	112.8860	0.000	1	112.8860	0.000	1	118.0873	9.212	61	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CC[6a]C)(CCC)(COO)	C(CCC)(CCH)(COO)	C(CCC)(OC)(O)	C(CC[6a]C)(CCC)(COO)	C(CCC)(CCH)(COO)	C(CCC)(OC)(O)	121.3370	0.000	1	121.3370	0.000	1	118.0873	9.212	61	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CC[6a]H)(CCC)(COO)	C(CC[6a]H)(CCC)(COO)	C(CCC)(OH)(O)	C(CC[6a]H)(CCC)(COO)	C(CC[6a]H)(CCC)(COO)	C(CCC)(OH)(O)	116.6960	1.601	2	116.6960	2.563	2	118.0873	9.212	61	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CC[6a]O)(CCC)(COO)	C(CC[6a]O)(CCC)(COO)	C(CCC)(OC)(O)	C(CC[6a]O)(CCC)(COO)	C(CC[6a]O)(CCC)(COO)	C(CCC)(OC)(O)	120.4633	2.903	7	120.4633	8.427	7	118.0873	9.212	61	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CC[6a]S)(CCC)(COO)	C(CC[6a]S)(CCC)(COO)	C(CCC)(OC)(O)	C(CC[6a]S)(CCC)(COO)	C(CC[6a]S)(CCC)(COO)	C(CCC)(OC)(O)	115.6005	1.732	2	115.6005	2.999	2	118.0873	9.212	61	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CCoC)(CCC)(COO)	C(CCC)(CCS)(COO)	C(CCC)(OC)(O)	C(CCoC)(CCC)(COO)	C(CCC)(CCS)(COO)	C(CCC)(OC)(O)	115.6350	0.000	1	115.6350	0.000	1	118.0873	9.212	61	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CIrC)(CCC)(COO)	C(CIrC)(CCC)(COO)	C(CCC)(OC)(O)	C(CIrC)(CCC)(COO)	C(CIrC)(CCC)(COO)	C(CCC)(OC)(O)	120.7502	1.457	8	120.7502	2.123	8	118.0873	9.212	61	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CN[5]C)(CCC)(COO)	C(CCC)(CCH)(COO)	C(CCC)(OC)(O)	C(CN[5]C)(CCC)(COO)	C(CCC)(CCH)(COO)	C(CCC)(OC)(O)	116.0060	0.000	1	116.0060	0.000	1	118.0873	9.212	61	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CN[6]C)(CCC)(COO)	C(CCC)(CCH)(COO)	C(CCC)(OC)(O)	C(CN[6]C)(CCC)(COO)	C(CCC)(CCH)(COO)	C(CCC)(OC)(O)	116.4460	0.000	1	116.4460	0.000	1	118.0873	9.212	61	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CPdC)(CCC)(COO)	C(CBrC)(CCC)(COO)	C(CCC)(OC)(O)	C(CPdC)(CCC)(COO)	C(CBrC)(CCC)(COO)	C(CCC)(OC)(O)	116.9360	0.993	2	116.9360	0.986	2	118.0873	9.212	61	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CPdC)(CCC)(COO)	C(CCC)(CCH)(COO)	C(CCC)(OC)(O)	C(CPdC)(CCC)(COO)	C(CCC)(CCH)(COO)	C(CCC)(OC)(O)	114.7600	0.000	1	114.7600	0.000	1	118.0873	9.212	61	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CPdC)(CCC)(COO)	C(CPdC)(CCC)(COO)	C(CCC)(OC)(O)	C(CPdC)(CCC)(COO)	C(CPdC)(CCC)(COO)	C(CCC)(OC)(O)	121.9385	2.242	2	121.9385	5.028	2	118.0873	9.212	61	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CPtC)(CCC)(COO)	C(CPtC)(CCC)(COO)	C(CCC)(OC)(O)	C(CPtC)(CCC)(COO)	C(CPtC)(CCC)(COO)	C(CCC)(OC)(O)	121.2585	0.315	2	121.2585	0.099	2	118.0873	9.212	61	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:N-3:	C-3:O-2:O-1:	C(CC[6a]C)(CCN)(COO)	C(CCC)(COO)(NCH)	C(CCC)(OC)(O)	C(CC[6a]C)(CCN)(COO)	C(CCC)(COO)(NCH)	C(CCC)(OC)(O)	118.7420	0.000	1	118.7420	0.000	1	117.0815	5.515	2	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-3:N-3:	C-3:O-2:O-1:	C(CCrC)(CCN)(COO)	C(CCC)(CCH)(NCC)	C(CCC)(OC)(O)	C(CCrC)(CCN)(COO)	C(CCC)(CCH)(NCC)	C(CCC)(OC)(O)	115.4210	0.000	1	115.4210	0.000	1	117.0815	5.515	2	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C-3:N-3:C-3:	C-3:O-2:O-1:	C(CC[6a]O)(CCN)(COO)	C(CC[6a]O)(NC[6a]H)(CCC)	C(CCC)(OC)(O)	C(CC[6a]O)(CCN)(COO)	C(CC[6a]O)(NC[6a]H)(CCC)	C(CCC)(OC)(O)	120.1870	0.000	2	120.1870	0.000	2	120.1870	0.000	2	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C[5]-3:C-3:C-3:	C-3:O-2:O-1:	C(CC[5]C)(CCC)(COO)	C(C[5]C[5]2)(CCC)(COO)	C(CCC)(OC)(O)	C(CC[5]C)(CCC)(COO)	C(C[5]C[5]2)(CCC)(COO)	C(CCC)(OC)(O)	117.0470	0.000	1	117.0470	0.000	1	119.3395	9.256	4	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C[5]-3:C-3:C-3:	C-3:O-2:O-1:	C(CC[5]C)(COO)2	C(C[5]N[5]2)(CCC)2	C(CCC)(OC)(O)	C(CC[5]C)(COO)2	C(C[5]N[5]2)(CCC)2	C(CCC)(OC)(O)	121.9110	1.078	2	121.9110	1.161	2	119.3395	9.256	4	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C[5]-3:C-3:C-3:	C-3:O-2:O-1:	C(CC[6a]H)(CC[5]C)(COO)	C(C[5]C[5]N[5])(CCC)(COO)	C(CCC)(OC)(O)	C(CC[6a]H)(CC[5]C)(COO)	C(C[5]C[5]N[5])(CCC)(COO)	C(CCC)(OC)(O)	116.4890	0.000	1	116.4890	0.000	1	119.3395	9.256	4	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C[5]-3:C[5]-3:C-3:	C-3:O-2:O-1:	C(CC[5]2)(COO)2	C(C[5]C[5,6a]2)(C[5]N[5]2)(CCC)	C(CCC)(OC)(O)	C(CC[5]2)(COO)2	C(C[5]C[5,6a]2)(C[5]N[5]2)(CCC)	C(CCC)(OC)(O)	121.1532	2.465	4	121.1532	6.077	4	121.1532	6.077	4	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C[5a]-3:C[6]-3:C-3:	C-3:O-2:O-1:	C(CC[5a]C[6])(COO)2	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(CCC)	C(CCC)(OC)(O)	C(CC[5a]C[6])(COO)2	C(C[5a]C[5a]N[5a])(C[6]C[6]N[6])(CCC)	C(CCC)(OC)(O)	123.4060	2.413	4	123.4060	5.820	4	123.4060	5.820	4	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C[6]-3:C-3:N-3:	C-3:O-2:O-1:	C(CC[6]N)(CCH)(COO)	C(C[6]C[6]2)(CCC)(NCH)	C(CCC)(OC)(O)	C(CC[6]N)(CCH)(COO)	C(C[6]C[6]2)(CCC)(NCH)	C(CCC)(OC)(O)	119.0630	0.000	1	119.0630	0.000	1	119.0630	0.000	1	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:N-2:H-1:	C(CC[6a]2)(CC[6a]C)(CHN)	C(C[6a]C[6a]2)(CC[6a]H)(CCC)	C(CCC)(NS)(H)	C(CC[6a]2)(CC[6a]C)(CHN)	C(C[6a]C[6a]2)(CC[6a]H)(CCC)	C(CCC)(NS)(H)	116.0410	0.000	1	116.0410	0.000	1	116.0410	0.000	1	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:O-2:O-1:	C(CC[6a]C)(CCC)(COO)	C(C[6a]C[6a,6a]2)(CCC)(CCH)	C(CCC)(OC)(O)	C(CC[6a]C)(CCC)(COO)	C(C[6a]C[6a,6a]2)(CCC)(CCH)	C(CCC)(OC)(O)	117.8090	0.000	1	117.8090	0.000	1	118.5481	7.213	9	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:O-2:O-1:	C(CC[6a]C)(CCC)(COO)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CCC)(OC)(O)	C(CC[6a]C)(CCC)(COO)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CCC)(OC)(O)	114.7990	0.000	1	114.7990	0.000	1	118.5481	7.213	9	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:O-2:O-1:	C(CC[6a]C)(CCC)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(CCC)(OC)(O)	C(CC[6a]C)(CCC)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(CCC)(OC)(O)	115.1150	0.000	1	115.1150	0.000	1	118.5481	7.213	9	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:O-2:O-1:	C(CC[6a]C)(CCH)(COO)	C(C[6a]C[6a]2)(CCC)(CHH)	C(CCC)(OH)(O)	C(CC[6a]C)(CCH)(COO)	C(C[6a]C[6a]2)(CCC)(CHH)	C(CCC)(OH)(O)	118.6960	0.000	1	118.6960	0.000	1	118.5481	7.213	9	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:O-2:O-1:	C(CC[6a]C)(CCH)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(CCC)(OC)(O)	C(CC[6a]C)(CCH)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(CCC)(OC)(O)	119.9210	0.000	1	119.9210	0.000	1	118.5481	7.213	9	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:O-2:O-1:	C(CC[6a]C)(CCN)(COO)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CCC)(OC)(O)	C(CC[6a]C)(CCN)(COO)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CCC)(OC)(O)	121.2550	0.000	1	121.2550	0.000	1	118.5481	7.213	9	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:O-2:O-1:	C(CC[6a]C)(CIrC)(COO)	C(C[6a]C[6a]2)(CCC)(COO)	C(CCC)(OC)(O)	C(CC[6a]C)(CIrC)(COO)	C(C[6a]C[6a]2)(CCC)(COO)	C(CCC)(OC)(O)	118.0700	0.000	2	118.0700	0.000	2	118.5481	7.213	9	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:O-2:O-1:	C(CC[6a]C)(CIrC)(COO)	C(C[6a]C[6a]2)(CC[6a]Ir)(CCC)	C(CCC)(OC)(O)	C(CC[6a]C)(CIrC)(COO)	C(C[6a]C[6a]2)(CC[6a]Ir)(CCC)	C(CCC)(OC)(O)	123.1980	0.000	1	123.1980	0.000	1	118.5481	7.213	9	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:S-2:H-1:	C(CC[6a]C)(CCC)(CHS)	C(C[6a]C[6a]2)(CCC)(CHH)	C(CCC)(SC)(H)	C(CC[6a]C)(CCC)(CHS)	C(C[6a]C[6a]2)(CCC)(CHH)	C(CCC)(SC)(H)	118.3430	0.000	1	118.3430	0.000	1	118.3430	0.000	1	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:N-3:	C-3:O-2:O-1:	C(CC[6a]N)(CCO)(COO)	C(C[6a]C[6a]2)(CCC)(NCH)	C(CCC)(OC)(O)	C(CC[6a]N)(CCO)(COO)	C(C[6a]C[6a]2)(CCC)(NCH)	C(CCC)(OC)(O)	119.7110	0.000	1	119.7110	0.000	1	119.5635	0.044	2	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C-3:N-3:	C-3:O-2:O-1:	C(CC[6a]N)(CCO)(COO)	C(C[6a]C[6a]2)(CCC)(NHH)	C(CCC)(OC)(O)	C(CC[6a]N)(CCO)(COO)	C(C[6a]C[6a]2)(CCC)(NHH)	C(CCC)(OC)(O)	119.4160	0.000	1	119.4160	0.000	1	119.5635	0.044	2	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-2:H-1:	C(CC[6a]2)(CC[6a]C)(CHN)	C(C[6a]C[6a]2)2(CCC)	C(CCC)(NS)(H)	C(CC[6a]2)(CC[6a]C)(CHN)	C(C[6a]C[6a]2)2(CCC)	C(CCC)(NS)(H)	119.4410	0.000	1	119.4410	0.000	1	119.4410	0.000	1	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(CC[6a]2)(CCC)(COO)	C(C[6a]C[6a]2)2(CCC)	C(CCC)(OC)(O)	C(CC[6a]2)(CCC)(COO)	C(C[6a]C[6a]2)2(CCC)	C(CCC)(OC)(O)	121.7090	0.000	1	121.7090	0.000	1	121.7090	0.000	1	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	N-3:C-3:C-3:	C-3:O-2:O-1:	C(CFeO)(CCN)(COO)	C(NC[6a]P)(CCC)(COO)	C(CCC)(OC)(O)	C(CFeO)(CCN)(COO)	C(NC[6a]P)(CCC)(COO)	C(CCC)(OC)(O)	119.9150	0.000	1	119.9150	0.000	1	119.9150	0.000	1	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	N[5]-3:C-3:C-3:	C-3:O-2:O-1:	C(CN[5]C)(COO)2	C(N[5]C[5]2)(CCC)(COO)	C(CCC)(OC)(O)	C(CN[5]C)(COO)2	C(N[5]C[5]2)(CCC)(COO)	C(CCC)(OC)(O)	122.6620	0.505	2	122.6620	0.255	2	122.6620	0.255	2	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	N[6]-3:C-3:C-3:	C-3:O-2:O-1:	C(CC[5a]O)(CN[6]C)(COO)	C(N[6]C[6]2)(CCC)(COO)	C(CCC)(OC)(O)	C(CC[5a]O)(CN[6]C)(COO)	C(N[6]C[6]2)(CCC)(COO)	C(CCC)(OC)(O)	121.9055	0.046	2	121.9055	0.002	2	121.9033	0.384	10	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	N[6]-3:C-3:C-3:	C-3:O-2:O-1:	C(CC[6a]O)(CN[6]C)(COO)	C(N[6]C[6]2)(CCC)(COO)	C(CCC)(OC)(O)	C(CC[6a]O)(CN[6]C)(COO)	C(N[6]C[6]2)(CCC)(COO)	C(CCC)(OC)(O)	122.0024	0.695	7	122.0024	0.483	7	121.9033	0.384	10	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	N[6]-3:C-3:C-3:	C-3:O-2:O-1:	C(CN[6]C)(CCC)(COO)	C(N[6]C[6]2)(CCC)(COO)	C(CCC)(OC)(O)	C(CN[6]C)(CCC)(COO)	C(N[6]C[6]2)(CCC)(COO)	C(CCC)(OC)(O)	121.2050	0.000	1	121.2050	0.000	1	121.9033	0.384	10	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:C-3:	S-3:C-3:C-3:	C-3:O-2:O-1:	C(CCC)(CCS)(COO)	C(SC[5x3,5x5,20x6]Co)(CCC)(COO)	C(CCC)(OC)(O)	C(CCC)(CCS)(COO)	C(SC[5x3,5x5,20x6]Co)(CCC)(COO)	C(CCC)(OC)(O)	117.4420	0.000	1	117.4420	0.000	1	117.4420	0.000	1	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:N-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(CCC)(COO)(NCH)	C(CC[6a]C)(CCN)(COO)	C(CCN)(OC)(O)	C(CCC)(COO)(NCH)	C(CC[6a]C)(CCN)(COO)	C(CCN)(OC)(O)	121.8510	0.000	1	121.8510	0.000	1	121.8510	0.000	1	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C-3:C-3:N-3:	N[6]-3:C-3:C-3:	C-3:O-2:O-1:	C(CN[6]C)(COO)(NOO)	C(N[6]C[6]2)(CC[6a]O)(CCN)	C(CCN)(OC)(O)	C(CN[6]C)(COO)(NOO)	C(N[6]C[6]2)(CC[6a]O)(CCN)	C(CCN)(OC)(O)	128.4800	0.000	1	128.4800	0.000	1	128.4800	0.000	1	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(C[5]C[5]2)(CCC)(COO)	C(CC[5]C)(CCC)(COO)	C(CC[5]C)(OC)(O)	C(C[5]C[5]2)(CCC)(COO)	C(CC[5]C)(CCC)(COO)	C(CC[5]C)(OC)(O)	114.3390	0.000	1	114.3390	0.000	1	116.2725	7.477	2	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(C[5]C[5]N[5])(CCC)(COO)	C(CC[6a]H)(CC[5]C)(COO)	C(CC[5]C)(OC)(O)	C(C[5]C[5]N[5])(CCC)(COO)	C(CC[6a]H)(CC[5]C)(COO)	C(CC[5]C)(OC)(O)	118.2060	0.000	1	118.2060	0.000	1	116.2725	7.477	2	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C-3:C-3:	C[5]-3:C-3:C-3:	C-3:O-2:O-1:	C(C[5]C[5,6a]2)(CC[5]C)(COO)	C(C[5]C[5,6a]2)(CC[5]C)(COO)	C(CC[5]C)(OH)(O)	C(C[5]C[5,6a]2)(CC[5]C)(COO)	C(C[5]C[5,6a]2)(CC[5]C)(COO)	C(CC[5]C)(OH)(O)	112.8068	1.165	5	112.8068	1.357	5	114.4304	8.596	7	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C[5]-3:C-3:C-3:	C[5]-3:C-3:C-3:	C-3:O-2:O-1:	C(C[5]N[5]S[5])(CC[5]C)(COO)	C(C[5]N[5]S[5])(CC[5]C)(COO)	C(CC[5]C)(OC)(O)	C(C[5]N[5]S[5])(CC[5]C)(COO)	C(C[5]N[5]S[5])(CC[5]C)(COO)	C(CC[5]C)(OC)(O)	118.4895	0.121	2	118.4895	0.015	2	114.4304	8.596	7	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C[6,6]-3:C-3:C-3:	C[6,6]-3:C-3:C-3:	C-3:O-2:O-1:	C(C[6,6]C[3x6]2)(CC[6,6]C)(COO)	C(C[6,6]C[3x6]2)(CC[6,6]C)(COO)	C(CC[6,6]C)(OC)(O)	C(C[6,6]C[3x6]2)(CC[6,6]C)(COO)	C(C[6,6]C[3x6]2)(CC[6,6]C)(COO)	C(CC[6,6]C)(OC)(O)	113.6298	1.942	4	113.6298	3.772	4	113.6298	3.772	4	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:O-2:O-1:	C(C[6]C[6]N[6])(CC[6a]C)(COO)	C(C[6a]C[6a]2)(CC[6]C)(CCH)	C(CC[6]C)(OC)(O)	C(C[6]C[6]N[6])(CC[6a]C)(COO)	C(C[6a]C[6a]2)(CC[6]C)(CCH)	C(CC[6]C)(OC)(O)	122.4510	0.000	1	122.4510	0.000	1	121.2775	2.754	2	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:O-2:O-1:	C(C[6]N[6]2)(CC[6a]C)(COO)	C(C[6a]C[6a]2)(CC[6]C)(COO)	C(CC[6]C)(OC)(O)	C(C[6]N[6]2)(CC[6a]C)(COO)	C(C[6a]C[6a]2)(CC[6]C)(COO)	C(CC[6]C)(OC)(O)	120.1040	0.000	1	120.1040	0.000	1	121.2775	2.754	2	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C-3:C-3:C-3:	C-3:C-2:H-1:	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[5a]O)(CC[6a]C)(CC[6a]O)	C(CC[6a]C)(CN)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[5a]O)(CC[6a]C)(CC[6a]O)	C(CC[6a]C)(CN)(H)	119.6260	0.000	1	119.6260	0.000	1	119.6260	0.000	1	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CCC)(COO)	C(CC[6a]C)(CIrC)(COO)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CCC)(COO)	C(CC[6a]C)(CIrC)(COO)	C(CC[6a]C)(OC)(O)	117.7840	0.000	2	117.7840	0.000	2	117.7840	0.000	2	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C-3:C-3:C-3:	C-3:S-2:H-1:	C(C[6a]C[6a]2)(CCC)(CHS)	C(CC[6a]C)(CCO)(CHH)	C(CC[6a]C)(SC)(H)	C(C[6a]C[6a]2)(CCC)(CHS)	C(CC[6a]C)(CCO)(CHH)	C(CC[6a]C)(SC)(H)	121.9090	0.000	1	121.9090	0.000	1	121.9090	0.000	1	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[5a]-3:C-3:N-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CC[5a]N)(COO)	C(C[5a]C[5a]N[5a])(CC[6a]C)(NC[6a]H)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CC[5a]N)(COO)	C(C[5a]C[5a]N[5a])(CC[6a]C)(NC[6a]H)	C(CC[6a]C)(OC)(O)	119.9380	0.000	1	119.9380	0.000	1	119.9380	0.000	1	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6]-3:C-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CC[6]C)(COO)	C(C[6]N[6]2)(CC[6a]C)(COO)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CC[6]C)(COO)	C(C[6]N[6]2)(CC[6a]C)(COO)	C(CC[6a]C)(OC)(O)	120.8970	0.000	1	120.8970	0.000	1	120.8970	0.000	1	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C(CC[6a]C)(OC)(O)	120.8840	0.000	1	120.8840	0.000	1	119.3406	9.326	12	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(COO)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(COO)	C(CC[6a]C)(OC)(O)	119.6280	0.000	1	119.6280	0.000	1	119.3406	9.326	12	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C(CC[6a]C)(OC)(O)	119.2364	3.522	9	119.2364	12.404	9	119.3406	9.326	12	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C(C[6a]C[6a]N[6a])(CC[6a]C)(CC[6a]O)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C(C[6a]C[6a]N[6a])(CC[6a]C)(CC[6a]O)	C(CC[6a]C)(OC)(O)	118.4470	0.000	1	118.4470	0.000	1	119.3406	9.326	12	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]2)(COO)	C(C[6a]C[6a]2)2(CC[6a]C)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CC[6a]2)(COO)	C(C[6a]C[6a]2)2(CC[6a]C)	C(CC[6a]C)(OC)(O)	119.7923	0.612	3	119.7923	0.375	3	119.7923	0.375	3	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	N-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(NC[6a]P)(CCC)(COO)	C(CFeO)(CCN)(COO)	C(CCN)(OC)(O)	C(NC[6a]P)(CCC)(COO)	C(CFeO)(CCN)(COO)	C(CCN)(OC)(O)	120.6850	0.000	1	120.6850	0.000	1	120.6850	0.000	1	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	N-3:C-3:C-3:	N-3:C-3:C-3:	C-3:O-2:O-1:	C(NC[6a]O)(CCN)(COO)	C(NC[6a]O)(CCN)(COO)	C(CCN)(OC)(O)	C(NC[6a]O)(CCN)(COO)	C(NC[6a]O)(CCN)(COO)	C(CCN)(OC)(O)	118.8510	0.576	2	118.8510	0.331	2	119.8190	5.603	4	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	N-3:C-3:C-3:	N-3:C-3:C-3:	C-3:O-2:O-1:	C(NC[6a]Pt)(CCN)(COO)	C(NC[6a]Pt)(CCN)(COO)	C(CCN)(OC)(O)	C(NC[6a]Pt)(CCN)(COO)	C(NC[6a]Pt)(CCN)(COO)	C(CCN)(OC)(O)	120.7870	3.568	2	120.7870	12.731	2	119.8190	5.603	4	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	N[5]-3:C-3:C-3:	C[6a]-3:C-3:N-3:	C-3:O-2:O-1:	C(N[5]C[5]2)(CC[6a]N)(COO)	C(C[6a]C[6a]2)(CN[5]C)(NHH)	C(CN[5]C)(OC)(O)	C(N[5]C[5]2)(CC[6a]N)(COO)	C(C[6a]C[6a]2)(CN[5]C)(NHH)	C(CN[5]C)(OC)(O)	122.1795	0.255	2	122.1795	0.065	2	122.1795	0.065	2	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	N[6]-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(N[6]C[6]2)(CCC)(COO)	C(CC[5a]O)(CN[6]C)(COO)	C(CN[6]C)(OC)(O)	C(N[6]C[6]2)(CCC)(COO)	C(CC[5a]O)(CN[6]C)(COO)	C(CN[6]C)(OC)(O)	121.6500	0.762	2	121.6500	0.581	2	122.2120	2.807	10	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	N[6]-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(N[6]C[6]2)(CCC)(COO)	C(CC[6a]O)(CN[6]C)(COO)	C(CN[6]C)(OC)(O)	C(N[6]C[6]2)(CCC)(COO)	C(CC[6a]O)(CN[6]C)(COO)	C(CN[6]C)(OC)(O)	121.7420	0.709	7	121.7420	0.503	7	122.2120	2.807	10	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	N[6]-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(N[6]C[6]2)(CCC)(COO)	C(CN[6]C)(CCC)(COO)	C(CN[6]C)(OC)(O)	C(N[6]C[6]2)(CCC)(COO)	C(CN[6]C)(CCC)(COO)	C(CN[6]C)(OC)(O)	126.6260	0.000	1	126.6260	0.000	1	122.2120	2.807	10	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	S-3:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(SC[5x3,5x5,20x6]Co)(CCC)(COO)	C(CCC)(CCS)(COO)	C(CCS)(OC)(O)	C(SC[5x3,5x5,20x6]Co)(CCC)(COO)	C(CCC)(CCS)(COO)	C(CCS)(OC)(O)	123.2010	0.000	1	123.2010	0.000	1	123.2010	0.000	1	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:1:	S-3:C-3:C-3:	S-3:C-3:C-3:	C-3:O-2:O-1:	C(SMnMo)(CCS)(COO)	C(SMnMo)(CCS)(COO)	C(CCS)(OC)(O)	C(SMnMo)(CCS)(COO)	C(SMnMo)(CCS)(COO)	C(CCS)(OC)(O)	124.0485	1.790	4	124.0485	3.206	4	124.0485	3.206	4	119.2659	11.230	168	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:2:	C-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:C-2:C-2:	C(CC[6a]C)(CCC)2	C(C[6a]C[6a]2)(CCC)(CCH)	C(CCC)(CN)2	C(CC[6a]C)(CCC)2	C(C[6a]C[6a]2)(CCC)(CCH)	C(CCC)(CN)2	125.4997	0.667	3	125.4997	0.444	3	124.2715	6.330	4	120.3370	17.115	27	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:2:	C-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:C-2:C-2:	C(CC[6a]C)(CC[5]C)(CCC)	C(C[6a]C[6a]2)(CC[6]H)(CCC)	C(CCC)(CN)2	C(CC[6a]C)(CC[5]C)(CCC)	C(C[6a]C[6a]2)(CC[6]H)(CCC)	C(CCC)(CN)2	120.5870	0.000	1	120.5870	0.000	1	124.2715	6.330	4	120.3370	17.115	27	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:2:	C-3:C-3:N-3:	C[6a]-3:C-3:C-3:	C-3:C-2:C-2:	C(CC[6a]C)(CCC)(NCS)	C(C[6a]C[6a,6a]C[6a])(CCC)(CCN)	C(CCN)(CN)2	C(CC[6a]C)(CCC)(NCS)	C(C[6a]C[6a,6a]C[6a])(CCC)(CCN)	C(CCN)(CN)2	119.4520	1.362	2	119.4520	1.855	2	119.4520	1.855	2	120.3370	17.115	27	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:2:	C-3:C-3:N-3:	N-3:N-3:C-3:	C-3:N-2:S-2:	C(CNN)(CNS)(NOO)	C(NC[6a]C)(NC[6a]H)(CCN)	C(CCN)(NC)(SC)	C(CNN)(CNS)(NOO)	C(NC[6a]C)(NC[6a]H)(CCN)	C(CCN)(NC)(SC)	122.9340	0.000	1	122.9340	0.000	1	122.9340	0.000	1	120.3370	17.115	27	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:2:	C-3:S-3:C-3:	C[6a]-3:C-3:C-3:	C-3:C-2:C-2:	C(CC[6a]C)(SRuC)(CCC)	C(C[6a]C[6a]2)(CRuS)(CCS)	C(CCS)(CN)2	C(CC[6a]C)(SRuC)(CCC)	C(C[6a]C[6a]2)(CRuS)(CCS)	C(CCS)(CN)2	129.7450	0.747	2	129.7450	0.558	2	129.7450	0.558	2	120.3370	17.115	27	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C-3:C-3:	C-3:C-3:N-3:	C-3:C-2:C-2:	C(C[6a]C[6a,6a]C[6a])(CCC)(CCN)	C(CC[6a]C)(CCC)(NCS)	C(CC[6a]C)(CN)2	C(C[6a]C[6a,6a]C[6a])(CCC)(CCN)	C(CC[6a]C)(CCC)(NCS)	C(CC[6a]C)(CN)2	117.8650	1.372	2	117.8650	1.882	2	117.8650	1.882	2	120.3370	17.115	27	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:2:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(CC[6a]C)(CN)2	118.4347	2.637	16	118.4347	6.956	16	118.4347	6.956	16	120.3370	17.115	27	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:C-3:Br-1:	C(CBrC)(CCC)(COO)	C(CPdC)(CCC)(COO)	C(CCC)(COO)(Br)	C(CBrC)(CCC)(COO)	C(CPdC)(CCC)(COO)	C(CCC)(COO)(Br)	123.0570	1.430	2	123.0570	2.044	2	123.0570	2.044	2	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(COO)	C(CC[5]H)(CCC)(COO)	C(CC[5]H)(CCC)(H)	C(CCC)(CCH)(COO)	C(CC[5]H)(CCC)(COO)	C(CC[5]H)(CCC)(H)	128.4780	0.000	1	128.4780	0.000	1	123.6009	29.329	7	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(COO)	C(CC[6a]C)(CCC)(COO)	C(CCC)(CHS)(H)	C(CCC)(CCH)(COO)	C(CC[6a]C)(CCC)(COO)	C(CCC)(CHS)(H)	121.6770	0.000	1	121.6770	0.000	1	123.6009	29.329	7	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(COO)	C(CN[5]C)(CCC)(COO)	C(CCC)(CCO)(H)	C(CCC)(CCH)(COO)	C(CN[5]C)(CCC)(COO)	C(CCC)(CCO)(H)	131.8370	0.000	1	131.8370	0.000	1	123.6009	29.329	7	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(COO)	C(CP[6]H)(CCC)2	C(CCC)(COO)(H)	C(CCC)(CCH)(COO)	C(CP[6]H)(CCC)2	C(CCC)(COO)(H)	123.4380	0.000	1	123.4380	0.000	1	123.6009	29.329	7	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(COO)	C(CPdC)(CCC)(COO)	C(CCC)(COO)(H)	C(CCC)(CCH)(COO)	C(CPdC)(CCC)(COO)	C(CCC)(COO)(H)	125.0920	0.000	1	125.0920	0.000	1	123.6009	29.329	7	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCC)(CCH)	C(CC[6a]C)(CCC)(CCH)	C(CC[6a]H)(CCC)(H)	C(CC[6a]C)(CCC)(CCH)	C(CC[6a]C)(CCC)(CCH)	C(CC[6a]H)(CCC)(H)	117.3420	0.233	2	117.3420	0.054	2	123.6009	29.329	7	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C-3:C-3:C-3:	C-3:N-3:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]O)(CCN)(COO)	C(CC[6a]O)(NC[6a]H)(CCC)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]O)(CCN)(COO)	C(CC[6a]O)(NC[6a]H)(CCC)	C(C[6a]C[6a]2)(CCC)(O)	120.1200	0.000	2	120.1200	0.000	2	119.7670	1.698	4	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C-3:C-3:C-3:	C-3:N-3:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]O)2(CCN)	C(CC[6a]O)(NC[6a]H)(CCC)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]O)2(CCN)	C(CC[6a]O)(NC[6a]H)(CCC)	C(C[6a]C[6a]2)(CCC)(O)	119.4140	2.144	2	119.4140	4.597	2	119.7670	1.698	4	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C-3:C-3:C-3:	C[5]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CC[5]C)(COO)	C(C[5]C[5]N[5])(CCC)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CC[5]C)(COO)	C(C[5]C[5]N[5])(CCC)(COO)	C(C[6a]C[6a]2)(CCC)(H)	120.9760	0.000	1	120.9760	0.000	1	120.9760	0.000	1	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C-3:C-3:C-3:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(CC[5a]C[6a])(CC[6a]O)(CHO)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCC)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[5a]C[6a])(CC[6a]O)(CHO)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCC)	C(C[6a]C[6a]2)(CCC)(O)	123.6920	0.000	1	123.6920	0.000	1	123.6920	0.000	1	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C-3:C-3:C-3:	C[6]-3:C-3:N-3:	C-3:C-3:H-1:	C(CC[6]N)(CCH)(COO)	C(C[6]C[6]2)(CCC)(NCH)	C(CCC)(COO)(H)	C(CC[6]N)(CCH)(COO)	C(C[6]C[6]2)(CCC)(NCH)	C(CCC)(COO)(H)	123.8720	0.000	1	123.8720	0.000	1	123.8720	0.000	1	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCH)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(CCC)(COO)(H)	C(CC[6a]C)(CCH)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(CCC)(COO)(H)	121.9670	0.000	1	121.9670	0.000	1	121.9670	0.000	1	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C[5a]-3:C-3:O-1:	C(CC[5a]O)(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]H)(CCC)	C(C[5a]C[5a]N[5a])(CCC)(O)	C(CC[5a]O)(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]H)(CCC)	C(C[5a]C[5a]N[5a])(CCC)(O)	119.5250	0.000	1	119.5250	0.000	1	119.5250	0.000	1	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]C)(CC[6a]O)2	C(C[6a]C[6a]2)(CC[6a]H)(CCC)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]C)(CC[6a]O)2	C(C[6a]C[6a]2)(CC[6a]H)(CCC)	C(C[6a]C[6a]2)(CCC)(O)	119.6580	0.000	1	119.6580	0.000	1	119.6580	0.000	1	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:N-3:	C[6a]-3:C-3:O-1:	C(CC[6a]N)(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(CCC)(NCH)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]N)(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(CCC)(NCH)	C(C[6a]C[6a]2)(CCC)(O)	120.9780	0.000	1	120.9780	0.000	1	120.0985	3.018	4	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:N-3:	C[6a]-3:C-3:O-1:	C(CC[6a]N)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CCC)(NCH)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]N)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CCC)(NCH)	C(C[6a]C[6a]2)(CCC)(O)	118.9730	0.000	1	118.9730	0.000	1	120.0985	3.018	4	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:N-3:	C[6a]-3:C-3:O-1:	C(CC[6a]N)(CC[6a]O)2	C(C[6a]C[6a]2)(CCC)(NCH)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]N)(CC[6a]O)2	C(C[6a]C[6a]2)(CCC)(NCH)	C(C[6a]C[6a]2)(CCC)(O)	120.2215	2.642	2	120.2215	6.983	2	120.0985	3.018	4	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:N-3:	N-3:C-3:O-1:	C(CC[6a]N)(CNN)(CNO)	C(C[6a]C[6a]2)(CCC)(NHH)	C(NC[6a]H)(CCC)(O)	C(CC[6a]N)(CNN)(CNO)	C(C[6a]C[6a]2)(CCC)(NHH)	C(NC[6a]H)(CCC)(O)	120.4572	0.479	5	120.4572	0.229	5	120.4572	0.229	5	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:H-1:	C(CC[6a]2)(CCH)(CCP)	C(C[6a]C[6a]2)2(CCC)	C(CC[6a]H)(CCC)(H)	C(CC[6a]2)(CCH)(CCP)	C(C[6a]C[6a]2)2(CCC)	C(CC[6a]H)(CCC)(H)	121.6070	0.000	1	121.6070	0.000	1	121.6070	0.000	1	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C-3:C-3:C-3:	N[5]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]O)2(CN[5]C)	C(N[5]C[5]2)(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]O)2(CN[5]C)	C(N[5]C[5]2)(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(CCC)(O)	119.3260	2.558	2	119.3260	6.545	2	119.3260	6.545	2	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C-3:C-3:C-3:	N[5a]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]O)2(CN[5a]C)	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]O)2(CN[5a]C)	C(N[5a]C[5a,6a]C[5a])(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(CCC)(O)	123.2305	0.078	2	123.2305	0.006	2	122.8715	2.749	6	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C-3:C-3:C-3:	N[5a]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]O)2(CN[5a]C)	C(N[5a]C[5a,6a]N[5a])(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]O)2(CN[5a]C)	C(N[5a]C[5a,6a]N[5a])(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(CCC)(O)	123.0850	0.680	2	123.0850	0.463	2	122.8715	2.749	6	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C-3:C-3:C-3:	N[5a]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]O)2(CN[5a]C)	C(N[5a]C[5a]N[5a])(CC[5a]O)(CCC)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]O)2(CN[5a]C)	C(N[5a]C[5a]N[5a])(CC[5a]O)(CCC)	C(C[6a]C[6a]2)(CCC)(O)	122.2990	3.503	2	122.2990	12.271	2	122.8715	2.749	6	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C-3:C[6a]-3:C-3:	C[5a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(CC[5a]C[6a])(C[6a]C[6a]2)(CNO)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]C)	C(CC[6a]C)(NCO)(O)	C(CC[5a]C[6a])(C[6a]C[6a]2)(CNO)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC[6a]C)	C(CC[6a]C)(NCO)(O)	119.6190	0.000	1	119.6190	0.000	1	119.6190	0.000	1	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C-3:N-3:C-3:	C-3:N-3:C-3:	N-3:C-3:Br-1:	C(CBrN)(NFeO)(CCN)	C(CBrN)(NFeO)(CCN)	C(NFeO)(CCN)(Br)	C(CBrN)(NFeO)(CCN)	C(CBrN)(NFeO)(CCN)	C(NFeO)(CCN)(Br)	126.5430	0.000	1	126.5430	0.000	1	126.5430	0.000	1	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C-3:C-3:	C[5a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[5a]C[5a]O[5a])(CC[5a]C[6a])(CNO)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[5a]C)	C(CC[5a]C)(NCC)(O)	C(C[5a]C[5a]O[5a])(CC[5a]C[6a])(CNO)	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CC[5a]C)	C(CC[5a]C)(NCC)(O)	122.0240	0.000	1	122.0240	0.000	1	122.0240	0.000	1	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C-3:C-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a,6a]2)(CCC)(CCH)	C(CC[6a]C)(CCC)(COO)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a,6a]2)(CCC)(CCH)	C(CC[6a]C)(CCC)(COO)	C(CC[6a]C)(CCH)(H)	123.1090	0.000	1	123.1090	0.000	1	120.4272	13.143	5	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C-3:C-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)(CCC)2	C(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)(CCC)2	C(CC[6a]C)2(H)	117.9223	1.265	3	117.9223	1.601	3	120.4272	13.143	5	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C-3:C-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)(CC[6a]N)(CCN)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)(CC[6a]N)(CCN)	C(CC[6a]C)(CCH)(H)	125.2600	0.000	1	125.2600	0.000	1	120.4272	13.143	5	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C-3:C-3:C-3:	C-3:S-3:H-1:	C(C[6a]C[6a]2)(CCC)(CHS)	C(CC[6a]C)(CCO)(CHH)	C(CC[6a]C)(SCO)(H)	C(C[6a]C[6a]2)(CCC)(CHS)	C(CC[6a]C)(CCO)(CHH)	C(CC[6a]C)(SCO)(H)	121.7410	0.000	1	121.7410	0.000	1	121.7410	0.000	1	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]H)(CCC)	C(CC[5a]O)(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]H)(CCC)	C(CC[5a]O)(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C)(H)	120.7840	0.000	1	120.7840	0.000	1	120.7840	0.000	1	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C-3:C-3:N-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)(CCN)	C(CC[6a]C)(CHO)(NSS)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCH)(CCN)	C(CC[6a]C)(CHO)(NSS)	C(CC[6a]C)(CCH)(H)	122.2640	0.000	1	122.2640	0.000	1	122.2640	0.000	1	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6]-3:C-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]C)(CCH)	C(C[6]C[6]N[6])(CC[6a]C)(COO)	C(CC[6a]C)(COO)(H)	C(C[6a]C[6a]2)(CC[6]C)(CCH)	C(C[6]C[6]N[6])(CC[6a]C)(COO)	C(CC[6a]C)(COO)(H)	125.4690	0.000	1	125.4690	0.000	1	125.4690	0.000	1	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C(CC[6a]C)(CCH)(H)	123.7580	0.000	1	123.7580	0.000	1	123.0265	1.203	4	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C(CC[6a]C)(CC[6a]O)(H)	123.9360	0.000	1	123.9360	0.000	1	123.0265	1.203	4	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(CHP)	C(CC[6a]C)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(CHP)	C(CC[6a]C)(CC[6a]O)(H)	121.5350	0.000	1	121.5350	0.000	1	123.0265	1.203	4	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(CSiH)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(CSiH)	C(CC[6a]C)(CCC)(H)	122.8770	0.000	1	122.8770	0.000	1	123.0265	1.203	4	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:N-3:S-1:	C(C[6a]C[6a]2)(CC[6a]C)(CNS)	C(C[6a]C[6a]2)(CC[6a]C)2	C(CC[6a]C)(NC[6a]B)(S)	C(C[6a]C[6a]2)(CC[6a]C)(CNS)	C(C[6a]C[6a]2)(CC[6a]C)2	C(CC[6a]C)(NC[6a]B)(S)	123.8030	2.387	2	123.8030	5.699	2	123.8030	5.699	2	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C[5a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5a]H)(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(CC[6a]C)	C(C[5a]C[5a]S[5a])(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[5a]H)(CC[6a]C)	C(C[6a]C[6a]2)(CC[5a]H)(CC[6a]C)	C(C[5a]C[5a]S[5a])(CC[6a]C)(H)	121.0190	0.517	3	121.0190	0.267	3	121.0190	0.267	3	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(H)	118.8998	0.511	5	118.8998	0.261	5	119.4843	1.181	7	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]C)(H)	120.9455	0.250	2	120.9455	0.062	2	119.4843	1.181	7	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C)(O)	119.4095	3.860	2	119.4095	14.900	2	119.2907	7.493	3	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]N[6a])(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]N[6a])(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(O)	119.0530	0.000	1	119.0530	0.000	1	119.2907	7.493	3	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	N-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C(C[6a]C[6a]2)(CC[6a]C)2	C(NC[3x6]B)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C(C[6a]C[6a]2)(CC[6a]C)2	C(NC[3x6]B)(CC[6a]C)(O)	125.0300	0.000	1	125.0300	0.000	1	125.0300	0.000	1	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	N-3:C-3:S-1:	C(C[6a]C[6a]2)(CC[6a]C)(CNS)	C(C[6a]C[6a]2)(CC[6a]C)2	C(NC[3x6]B)(CC[6a]C)(S)	C(C[6a]C[6a]2)(CC[6a]C)(CNS)	C(C[6a]C[6a]2)(CC[6a]C)2	C(NC[3x6]B)(CC[6a]C)(S)	121.4550	0.000	1	121.4550	0.000	1	121.4550	0.000	1	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:N-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C)(NHH)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C)(NHH)	C(C[6a]C[6a]2)(CC[6a]C)(O)	119.7050	0.303	2	119.7050	0.092	2	119.7050	0.092	2	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CC[6a]2)(CNO)	C(C[6a]C[6a]2)2(CC[6a]C)	C(CC[6a]C)(NCH)(O)	C(C[6a]C[6a]2)(CC[6a]2)(CNO)	C(C[6a]C[6a]2)2(CC[6a]C)	C(CC[6a]C)(NCH)(O)	120.0283	1.087	3	120.0283	1.182	3	120.3847	1.296	4	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CC[6a]2)(CNO)	C(C[6a]C[6a]2)2(CC[6a]C)	C(CC[6a]C)(NC[6a]H)(O)	C(C[6a]C[6a]2)(CC[6a]2)(CNO)	C(C[6a]C[6a]2)2(CC[6a]C)	C(CC[6a]C)(NC[6a]H)(O)	121.4540	0.000	1	121.4540	0.000	1	120.3847	1.296	4	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	N-3:C-3:C-3:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(NAuC)(CCH)(CCN)	C(NAuC)(CCH)(CCN)	C(CCH)(CCN)(H)	C(NAuC)(CCH)(CCN)	C(NAuC)(CCH)(CCN)	C(CCH)(CCN)(H)	122.3020	0.800	2	122.3020	0.641	2	123.9191	1.896	68	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	N-3:C-3:C-3:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(NC[6]Au)(CCH)(CCN)	C(NC[6]Au)(CCH)(CCN)	C(CCH)(CCN)(H)	C(NC[6]Au)(CCH)(CCN)	C(NC[6]Au)(CCH)(CCN)	C(CCH)(CCN)(H)	122.3145	1.962	2	122.3145	3.850	2	123.9191	1.896	68	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	N-3:C-3:C-3:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(NC[6]Zn)(CCH)(CCN)	C(NC[6]Zn)(CCH)(CCN)	C(CCH)(CCN)(H)	C(NC[6]Zn)(CCH)(CCN)	C(NC[6]Zn)(CCH)(CCN)	C(CCH)(CCN)(H)	123.3910	0.192	4	123.3910	0.037	4	123.9191	1.896	68	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	N-3:C-3:C-3:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(NC[6a]Li)(CCH)(CCN)	C(NLiC)(CCH)(CCN)	C(CCH)(CCN)(H)	C(NC[6a]Li)(CCH)(CCN)	C(NLiC)(CCH)(CCN)	C(CCH)(CCN)(H)	124.3210	0.000	1	124.3210	0.000	1	123.9191	1.896	68	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	N-3:C-3:C-3:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(NC[6a]Pt)(CCH)(CCN)	C(NC[6a]Pt)(CCH)(CCN)	C(CCH)(CCN)(H)	C(NC[6a]Pt)(CCH)(CCN)	C(NC[6a]Pt)(CCH)(CCN)	C(CCH)(CCN)(H)	124.3994	0.536	8	124.3994	0.287	8	123.9191	1.896	68	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	N-3:C-3:C-3:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(NC[6a]Rh)(CCH)(CCN)	C(NRhC)(CCH)(CCN)	C(CCH)(CCN)(H)	C(NC[6a]Rh)(CCH)(CCN)	C(NRhC)(CCH)(CCN)	C(CCH)(CCN)(H)	125.7180	0.000	1	125.7180	0.000	1	123.9191	1.896	68	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	N-3:C-3:C-3:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(NCoC)(CCH)(CCN)	C(NCoC)(CCH)(CCN)	C(CCH)(CCN)(H)	C(NCoC)(CCH)(CCN)	C(NCoC)(CCH)(CCN)	C(CCH)(CCN)(H)	124.8151	1.145	26	124.8151	1.311	26	123.9191	1.896	68	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	N-3:C-3:C-3:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(NFeC)(CCH)(CCN)	C(NFeC)(CCH)(CCN)	C(CCH)(CCN)(H)	C(NFeC)(CCH)(CCN)	C(NFeC)(CCH)(CCN)	C(CCH)(CCN)(H)	123.9749	0.655	8	123.9749	0.429	8	123.9191	1.896	68	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	N-3:C-3:C-3:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(NLiC)(CCH)(CCN)	C(NC[6a]Li)(CCH)(CCN)	C(CCH)(CCN)(H)	C(NLiC)(CCH)(CCN)	C(NC[6a]Li)(CCH)(CCN)	C(CCH)(CCN)(H)	121.7520	0.000	1	121.7520	0.000	1	123.9191	1.896	68	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	N-3:C-3:C-3:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(NLiC)(CCH)(CCN)	C(NLiC)(CCH)(CCN)	C(CCH)(CCN)(H)	C(NLiC)(CCH)(CCN)	C(NLiC)(CCH)(CCN)	C(CCH)(CCN)(H)	121.8972	0.386	4	121.8972	0.149	4	123.9191	1.896	68	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	N-3:C-3:C-3:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(NMgC)(CCH)(CCN)	C(NMgC)(CCH)(CCN)	C(CCH)(CCN)(H)	C(NMgC)(CCH)(CCN)	C(NMgC)(CCH)(CCN)	C(CCH)(CCN)(H)	122.9758	0.151	4	122.9758	0.023	4	123.9191	1.896	68	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	N-3:C-3:C-3:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(NRhC)(CCH)(CCN)	C(NC[6a]Rh)(CCH)(CCN)	C(CCH)(CCN)(H)	C(NRhC)(CCH)(CCN)	C(NC[6a]Rh)(CCH)(CCN)	C(CCH)(CCN)(H)	122.9450	0.000	1	122.9450	0.000	1	123.9191	1.896	68	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	N-3:C-3:C-3:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(NSnC)(CCH)(CCN)	C(NSnC)(CCH)(CCN)	C(CCH)(CCN)(H)	C(NSnC)(CCH)(CCN)	C(NSnC)(CCH)(CCN)	C(CCH)(CCN)(H)	124.6415	0.286	2	124.6415	0.082	2	123.9191	1.896	68	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	N-3:C-3:C-3:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(NSrC)(CCH)(CCN)	C(NSrC)(CCH)(CCN)	C(CCH)(CCN)(H)	C(NSrC)(CCH)(CCN)	C(NSrC)(CCH)(CCN)	C(CCH)(CCN)(H)	120.9215	0.639	2	120.9215	0.408	2	123.9191	1.896	68	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	N-3:C-3:C-3:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(NZnC)(CCH)(CCN)	C(NZnC)(CCH)(CCN)	C(CCH)(CCN)(H)	C(NZnC)(CCH)(CCN)	C(NZnC)(CCH)(CCN)	C(CCH)(CCN)(H)	123.0805	0.111	2	123.0805	0.012	2	123.9191	1.896	68	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	N-3:C-3:C-3:	N-3:C-3:C-3:	N-3:C-3:H-1:	C(NFeO)(CCN)(CHN)	C(NFeO)(CCN)(CHN)	C(NFeO)(CCN)(H)	C(NFeO)(CCN)(CHN)	C(NFeO)(CCN)(CHN)	C(NFeO)(CCN)(H)	122.7890	0.000	1	122.7890	0.000	1	122.7890	0.000	1	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	N-3:C-3:C-3:	O-3:C-3:C-3:	C-3:C-3:H-1:	C(NZnC)(CCH)(CCO)	C(OZn2)(CCH)(CCN)	C(CCH)(CCN)(H)	C(NZnC)(CCH)(CCO)	C(OZn2)(CCH)(CCN)	C(CCH)(CCN)(H)	122.6590	0.000	1	122.6590	0.000	1	122.6590	0.000	1	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:1:	O-3:C-3:C-3:	N-3:C-3:C-3:	C-3:C-3:H-1:	C(OZn2)(CCH)(CCN)	C(NZnC)(CCH)(CCO)	C(CCH)(CCO)(H)	C(OZn2)(CCH)(CCN)	C(NZnC)(CCH)(CCO)	C(CCH)(CCO)(H)	126.6070	0.000	1	126.6070	0.000	1	126.6070	0.000	1	122.6112	6.259	147	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:2:	C-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:C-3:C-2:	C(CC[6a]C)(CCC)(CHS)	C(C[6a]C[6a]2)(CCC)(CHH)	C(CCC)2(CN)	C(CC[6a]C)(CCC)(CHS)	C(C[6a]C[6a]2)(CCC)(CHH)	C(CCC)2(CN)	118.9790	0.000	1	118.9790	0.000	1	114.6855	8.944	4	118.3253	10.317	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:2:	C-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:C-3:C-2:	C(CC[6a]C)(CCC)2	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)(CCC)(CN)	C(CC[6a]C)(CCC)2	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)(CCC)(CN)	113.2543	1.062	3	113.2543	1.127	3	114.6855	8.944	4	118.3253	10.317	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:2:	C-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:O-2:	C(CC[5a]O)(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CCC)(CCH)	C(C[6a]C[6a]2)(CCC)(OH)	C(CC[5a]O)(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CCC)(CCH)	C(C[6a]C[6a]2)(CCC)(OH)	120.6870	0.000	1	120.6870	0.000	1	122.1383	1.594	3	118.3253	10.317	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:2:	C-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:O-2:	C(CC[5a]O)(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]H)(CCC)	C(C[6a]C[6a]2)(CCC)(OH)	C(CC[5a]O)(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]H)(CCC)	C(C[6a]C[6a]2)(CCC)(OH)	122.7450	0.000	1	122.7450	0.000	1	122.1383	1.594	3	118.3253	10.317	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:2:	C-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:O-2:	C(CC[6a]C)(CC[6a]O)2	C(C[6a]C[6a]2)(CC[6a]H)(CCC)	C(C[6a]C[6a]2)(CCC)(OH)	C(CC[6a]C)(CC[6a]O)2	C(C[6a]C[6a]2)(CC[6a]H)(CCC)	C(C[6a]C[6a]2)(CCC)(OH)	122.9830	0.000	1	122.9830	0.000	1	122.1383	1.594	3	118.3253	10.317	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:2:	C-3:C-3:C-3:	C[6a]-3:C-3:N-3:	N-3:C-3:N-2:	C(CC[6a]N)(CNN)(CNO)	C(C[6a]C[6a]2)(CCC)(NHH)	C(NC[6a]H)(CCC)(NS)	C(CC[6a]N)(CNN)(CNO)	C(C[6a]C[6a]2)(CCC)(NHH)	C(NC[6a]H)(CCC)(NS)	119.5710	1.104	5	119.5710	1.218	5	119.5710	1.218	5	118.3253	10.317	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:2:	C-3:C-3:N-3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-2:	C(CC[6a]C)2(NCH)	C(C[6a]C[6a]2)(CC[6a]2)(CCN)	C(C[6a]C[6a]2)(CCN)(CN)	C(CC[6a]C)2(NCH)	C(C[6a]C[6a]2)(CC[6a]2)(CCN)	C(C[6a]C[6a]2)(CCN)(CN)	117.8130	0.000	1	117.8130	0.000	1	117.8130	0.000	1	118.3253	10.317	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:N-3:O-2:	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C(C[6a]C[6a]2)(CC[6a]C)2	C(CC[6a]C)(NC[6a]B)(OB)	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C(C[6a]C[6a]2)(CC[6a]C)2	C(CC[6a]C)(NC[6a]B)(OB)	117.0275	1.245	2	117.0275	1.551	2	117.0275	1.551	2	118.3253	10.317	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:3:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:C-3:C-3:	C(CCC)2(COO)	C(CIrC)(CCC)(COO)	C(CCC)2(COO)	C(CCC)2(COO)	C(CIrC)(CCC)(COO)	C(CCC)2(COO)	125.7637	0.540	7	125.7637	0.291	7	125.3661	1.514	8	122.4556	16.430	76	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:3:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-3:C-3:C-3:	C(CCC)2(COO)	C(CN[6]C)(CCC)(COO)	C(CCC)(COO)2	C(CCC)2(COO)	C(CN[6]C)(CCC)(COO)	C(CCC)(COO)2	122.5830	0.000	1	122.5830	0.000	1	125.3661	1.514	8	122.4556	16.430	76	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:3:	C-3:C-3:C-3:	C-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]2)(CCC)(COO)	C(CC[6a]2)(CCC)(COO)	C(C[6a]C[6a]2)2(CCC)	C(CC[6a]2)(CCC)(COO)	C(CC[6a]2)(CCC)(COO)	C(C[6a]C[6a]2)2(CCC)	125.4020	0.000	1	125.4020	0.000	1	125.4020	0.000	1	122.4556	16.430	76	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:3:	C-3:C-3:C-3:	C-3:N-3:N-3:	C-3:N-3:N-3:	C(CNN)3	C(CCC)(NCH)2	C(CCC)(NCH)2	C(CNN)3	C(CCC)(NCH)2	C(CCC)(NCH)2	119.8930	0.000	1	119.8930	0.000	1	119.8930	0.000	1	122.4556	16.430	76	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:3:	C-3:C-3:C-3:	C[5]-3:C-3:C-3:	C-3:C-3:C-3:	C(CC[5]C)(CCC)(COO)	C(C[5]C[5]2)(CCC)(COO)	C(CCC)(COO)2	C(CC[5]C)(CCC)(COO)	C(C[5]C[5]2)(CCC)(COO)	C(CCC)(COO)2	122.5120	0.000	1	122.5120	0.000	1	122.5120	0.000	1	122.4556	16.430	76	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:3:	C-3:C-3:C-3:	C[6]-3:C-3:C-3:	C-3:C-3:C-3:	C(CC[6]C)(CCC)(CHH)	C(C[6]C[6]2)(CCC)(CHH)	C(CC[6]C)(CCC)(CHH)	C(CC[6]C)(CCC)(CHH)	C(C[6]C[6]2)(CCC)(CHH)	C(CC[6]C)(CCC)(CHH)	119.0000	0.000	1	119.0000	0.000	1	119.0000	0.000	1	122.4556	16.430	76	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:3:	C-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:C-3:C-3:	C(CC[6a]C)(CCC)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(CCC)(CCH)(COO)	C(CC[6a]C)(CCC)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(CCC)(CCH)(COO)	123.4050	0.000	1	123.4050	0.000	1	123.4050	0.000	1	122.4556	16.430	76	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:3:	C-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:C-3:N-3:	C(CC[6a]C)(CCN)(COO)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CCC)(COO)(NCH)	C(CC[6a]C)(CCN)(COO)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CCC)(COO)(NCH)	119.9950	0.000	1	119.9950	0.000	1	119.9950	0.000	1	122.4556	16.430	76	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:3:	C-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]2)(CC[6a]C)(CHN)	C(C[6a]C[6a]2)(CC[6a]H)(CCC)	C(C[6a]C[6a]2)2(CCC)	C(CC[6a]2)(CC[6a]C)(CHN)	C(C[6a]C[6a]2)(CC[6a]H)(CCC)	C(C[6a]C[6a]2)2(CCC)	124.5120	0.000	1	124.5120	0.000	1	124.5120	0.000	1	122.4556	16.430	76	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:3:	C-3:C-3:C-3:	N[6]-3:C-3:C-3:	C-3:C-3:C-3:	C(CN[6]C)(CCC)(COO)	C(N[6]C[6]2)(CCC)(COO)	C(CCC)2(COO)	C(CN[6]C)(CCC)(COO)	C(N[6]C[6]2)(CCC)(COO)	C(CCC)2(COO)	122.9610	0.000	1	122.9610	0.000	1	122.9610	0.000	1	122.4556	16.430	76	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:3:	C-3:C-3:C-3:	S-3:C-3:C-3:	C-3:C-3:C-3:	C(CCC)(CCS)(COO)	C(SC[5x3,5x5,20x6]Co)(CCC)(COO)	C(CCoC)(CCC)(COO)	C(CCC)(CCS)(COO)	C(SC[5x3,5x5,20x6]Co)(CCC)(COO)	C(CCoC)(CCC)(COO)	130.2290	0.000	1	130.2290	0.000	1	130.2290	0.000	1	122.4556	16.430	76	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:3:	C-3:S-3:C-3:	C[6a]-3:S-3:C-3:	C-3:S-3:C-3:	C(CC[6a]S)(SMo2)(CCS)	C(C[6a]C[6a]2)(SMo2)(CCS)	C(CC[6a]S)(SMo2)(CCS)	C(CC[6a]S)(SMo2)(CCS)	C(C[6a]C[6a]2)(SMo2)(CCS)	C(CC[6a]S)(SMo2)(CCS)	129.4530	2.348	2	129.4530	5.511	2	129.4530	5.511	2	122.4556	16.430	76	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:3:	C[5]-3:C-3:C-3:	C-3:C-3:C-3:	C-3:C-3:C-3:	C(C[5]N[5]2)(CCC)2	C(CC[5]C)(COO)2	C(CC[5]C)(COO)2	C(C[5]N[5]2)(CCC)2	C(CC[5]C)(COO)2	C(CC[5]C)(COO)2	128.1690	0.000	1	128.1690	0.000	1	128.1690	0.000	1	122.4556	16.430	76	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C-3:C-3:	C[6]-3:C-3:C-3:	C[6]-3:C[6]-3:C-3:	C(C[6]C[6]2)(CC[6]2)(CC[6]C)	C(C[6]C[6]2)(CC[6]2)(CC[6]C)	C(C[6]C[6]2)2(CC[6]C)	C(C[6]C[6]2)(CC[6]2)(CC[6]C)	C(C[6]C[6]2)(CC[6]2)(CC[6]C)	C(C[6]C[6]2)2(CC[6]C)	112.3215	1.238	2	112.3215	1.533	2	112.3215	1.533	2	122.4556	16.430	76	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C-3:N-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(CNN)	C(CC[6a]C)(NC[6a]H)(NCH)	C(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CNN)	C(CC[6a]C)(NC[6a]H)(NCH)	C(C[6a]C[6a]2)2(CC[6a]C)	118.9250	0.000	1	118.9250	0.000	1	118.9250	0.000	1	122.4556	16.430	76	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C[5])(CC[6a]C)	C(C[5]N[5,5]S[5])(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B[5])(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(CC[6a]C)	C(C[5]N[5,5]S[5])(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B[5])(CC[6a]C)	128.4160	0.126	2	128.4160	0.016	2	128.4160	0.016	2	122.4556	16.430	76	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:B-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(BC[6a]C)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(BC[6a]C)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)2	126.3383	0.348	4	126.3383	0.121	4	120.4237	14.829	21	122.4556	16.430	76	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:B-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(BC[6a]N)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(BC[6a]N)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]H)	118.3350	0.000	1	118.3350	0.000	1	120.4237	14.829	21	122.4556	16.430	76	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:B-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(BC[6a]N)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(BC[6a]N)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)2	116.5897	1.150	3	116.5897	1.322	3	120.4237	14.829	21	122.4556	16.430	76	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:B-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(BC[6a]O)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(BC[6a]O)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]H)	119.1972	0.372	4	119.1972	0.139	4	120.4237	14.829	21	122.4556	16.430	76	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:B-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(BC[6a]O)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(BC[6a]O)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)2	119.8502	3.460	9	119.8502	11.973	9	120.4237	14.829	21	122.4556	16.430	76	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(CC[6a]C)(CCC)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(CC[6a]C)(CCC)(COO)	118.2860	0.000	1	118.2860	0.000	1	121.1645	16.572	2	122.4556	16.430	76	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(CC[6a]C)(CCH)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(CC[6a]C)(CCH)(COO)	124.0430	0.000	1	124.0430	0.000	1	121.1645	16.572	2	122.4556	16.430	76	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C[6a]-3:B-3:C-3:	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[6])(CC[6a]C)	C(C[6a]C[6a]2)(BC[6a]O)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[6])(CC[6a]C)	C(C[6a]C[6a]2)(BC[6a]O)(CC[6a]C)	119.3830	0.000	1	119.3830	0.000	1	119.3830	0.000	1	122.4556	16.430	76	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	121.6030	0.464	3	121.6030	0.216	3	123.9797	8.386	16	122.4556	16.430	76	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(CNS)	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(CNS)	122.7267	4.392	3	122.7267	19.291	3	123.9797	8.386	16	122.4556	16.430	76	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)2	125.7594	2.206	8	125.7594	4.867	8	123.9797	8.386	16	122.4556	16.430	76	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6a]C)2	122.0670	0.000	1	122.0670	0.000	1	123.9797	8.386	16	122.4556	16.430	76	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]C)2	122.5450	0.000	1	122.5450	0.000	1	123.9797	8.386	16	122.4556	16.430	76	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]N)	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]N)	C(C[6a]C[6a]2)(CC[6a]C)(NThN)	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]N)	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]N)	C(C[6a]C[6a]2)(CC[6a]C)(NThN)	124.6335	0.483	2	124.6335	0.233	2	124.6335	0.233	2	122.4556	16.430	76	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(CC[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)2(CC[6a]C)	120.7328	1.095	6	120.7328	1.200	6	120.7328	1.200	6	122.4556	16.430	76	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:C-3:N-3:	C(C[6a]C[6a]2)(CC[6a]2)(CCN)	C(C[6a]C[6a]2)2(CC[6a]C)	C(CC[6a]C)2(NCH)	C(C[6a]C[6a]2)(CC[6a]2)(CCN)	C(C[6a]C[6a]2)2(CC[6a]C)	C(CC[6a]C)2(NCH)	118.7780	0.000	1	118.7780	0.000	1	118.7780	0.000	1	122.4556	16.430	76	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:3:	O-3:C-3:C-3:	C-3:N-3:N-3:	C-3:N-3:N-3:	C(OLi2)(CNN)2	C(CCO)(NCC)2	C(CCO)(NCC)2	C(OLi2)(CNN)2	C(CCO)(NCC)2	C(CCO)(NCC)2	120.7925	0.305	2	120.7925	0.093	2	120.7925	0.093	2	122.4556	16.430	76	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(CC[6a]C)2(CH3)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(CC[6a]C)2(CH3)	120.7565	0.110	2	120.7565	0.012	2	120.7565	0.012	2	121.3813	1.177	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]Si)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]Si)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(CCHH)	122.6310	0.000	1	122.6310	0.000	1	122.6310	0.000	1	121.3813	1.177	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(CC[6a]C)(CCCH)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(CC[6a]C)(CCCH)(H)	119.1740	0.000	1	119.1740	0.000	1	119.1955	0.001	2	121.1040	4.900	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:C-4:H-1:	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(CC[6a]C)(CCHH)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(CC[6a]C)(CCHH)(H)	119.2170	0.000	1	119.2170	0.000	1	119.1955	0.001	2	121.1040	4.900	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:P-4:H-1:	C(C[6a]C[6a]2)(CC[6a]C)(CHP)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C(CC[6a]C)(PC3)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CHP)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C(CC[6a]C)(PC3)(H)	122.7570	0.000	1	122.7570	0.000	1	122.7570	0.000	1	121.1040	4.900	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:Si-4:H-1:	C(C[6a]C[6a]2)(CC[6a]C)(CSiH)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C(CC[6a]C)(SiC3)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CSiH)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C(CC[6a]C)(SiC3)(H)	123.2680	0.000	1	123.2680	0.000	1	123.2680	0.000	1	121.1040	4.900	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:4:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(CC[6a]C)(CCHH)(CClC)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(CC[6a]C)(CCHH)(CClC)	122.0985	0.856	2	122.0985	0.733	2	122.0985	0.733	2	122.0985	0.733	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C-3:C-3:	B-3:C-3:C-3:	C-3:Si-4:C-4:	C(C[6a]C[6a]2)(CSiC)(CBC)	C(BC[6a]Br)(CC[6a]C)(CSiC)	C(CC[6a]C)(SiC3)(CH3)	C(C[6a]C[6a]2)(CSiC)(CBC)	C(BC[6a]Br)(CC[6a]C)(CSiC)	C(CC[6a]C)(SiC3)(CH3)	125.6700	0.000	1	125.6700	0.000	1	125.8340	0.054	2	123.5596	7.491	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C-3:C-3:	B-3:C-3:C-3:	C-3:Si-4:C-4:	C(C[6a]C[6a]2)(CSiC)(CBC)	C(BC[6a]Cl)(CC[6a]C)(CSiC)	C(CC[6a]C)(SiC3)(CH3)	C(C[6a]C[6a]2)(CSiC)(CBC)	C(BC[6a]Cl)(CC[6a]C)(CSiC)	C(CC[6a]C)(SiC3)(CH3)	125.9980	0.000	1	125.9980	0.000	1	125.8340	0.054	2	123.5596	7.491	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C-3:C-3:	C-3:C-3:B-3:	C-3:Si-4:C-4:	C(C[6a]C[6a]2)(CSiC)(CBC)	C(CC[6a]C)(CSiC)(BOO)	C(CC[6a]C)(SiC3)(CH3)	C(C[6a]C[6a]2)(CSiC)(CBC)	C(CC[6a]C)(CSiC)(BOO)	C(CC[6a]C)(SiC3)(CH3)	124.9480	0.000	1	124.9480	0.000	1	124.9480	0.000	1	123.5596	7.491	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	3:4:4:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:C-4:C-4:	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C(CC[6a]C)(CCCH)(CCHH)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CC[6a]C)(CCH)	C(CC[6a]C)(CCCH)(CCHH)	120.5910	0.099	2	120.5910	0.010	2	120.5910	0.010	2	123.5596	7.491	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	4:3:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-4:C-3:H-1:	C(CCC)(CCH)(COO)	C(CCC)(CHN)(COO)	C(CCHH)(CCC)(H)	C(CCC)(CCH)(COO)	C(CCC)(CHN)(COO)	C(CCHH)(CCC)(H)	124.0830	0.000	1	124.0830	0.000	1	124.2830	0.080	2	121.0904	7.740	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	4:3:1:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-4:C-3:H-1:	C(CCC)(CCH)(COO)	C(CN[6]C)(CCC)(COO)	C(CCHH)(CCC)(H)	C(CCC)(CCH)(COO)	C(CN[6]C)(CCC)(COO)	C(CCHH)(CCC)(H)	124.4830	0.000	1	124.4830	0.000	1	124.2830	0.080	2	121.0904	7.740	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	4:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-4:C-3:H-1:	C(CC[6a]C)(CCH)(COO)	C(C[6a]C[6a]2)(CCC)(CHH)	C(CCHH)(CCC)(H)	C(CC[6a]C)(CCH)(COO)	C(C[6a]C[6a]2)(CCC)(CHH)	C(CCHH)(CCC)(H)	123.7540	0.000	1	123.7540	0.000	1	123.7540	0.000	1	121.0904	7.740	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	4:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-4:C-3:O-1:	C(CC[6a]C)(CCO)(CHH)	C(C[6a]C[6a]2)(CCC)(CHS)	C(CH3)(CCC)(O)	C(CC[6a]C)(CCO)(CHH)	C(C[6a]C[6a]2)(CCC)(CHS)	C(CH3)(CCC)(O)	115.8120	0.950	2	115.8120	0.903	2	119.5368	11.136	6	121.0904	7.740	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	4:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-4:C-3:O-1:	C(CC[6a]C)(CCO)2	C(C[6a]C[6a]2)(CCC)(CCH)	C(CH3)(CCC)(O)	C(CC[6a]C)(CCO)2	C(C[6a]C[6a]2)(CCC)(CCH)	C(CH3)(CCC)(O)	121.3992	2.094	4	121.3992	4.384	4	119.5368	11.136	6	121.0904	7.740	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	4:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:N-3:	C-4:C-3:O-1:	C(CC[6a]N)(CCO)(COO)	C(C[6a]C[6a]2)(CCC)(NCH)	C(CH3)(CCC)(O)	C(CC[6a]N)(CCO)(COO)	C(C[6a]C[6a]2)(CCC)(NCH)	C(CH3)(CCC)(O)	121.4940	0.000	1	121.4940	0.000	1	120.5713	1.051	3	121.0904	7.740	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	4:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:N-3:	C-4:C-3:O-1:	C(CC[6a]N)(CCO)(COO)	C(C[6a]C[6a]2)(CCC)(NHH)	C(CH3)(CCC)(O)	C(CC[6a]N)(CCO)(COO)	C(C[6a]C[6a]2)(CCC)(NHH)	C(CH3)(CCC)(O)	120.7520	0.000	1	120.7520	0.000	1	120.5713	1.051	3	121.0904	7.740	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	4:3:1:	C-3:C-3:C-3:	C[6a]-3:C-3:N-3:	C-4:C-3:O-1:	C(CC[6a]N)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CCC)(NCH)	C(CF3)(CCC)(O)	C(CC[6a]N)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CCC)(NCH)	C(CF3)(CCC)(O)	119.4680	0.000	1	119.4680	0.000	1	120.5713	1.051	3	121.0904	7.740	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	4:3:1:	C-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:O-1:	C(CC[6a]2)(CC[6a]N)(CCO)	C(C[6a]C[6a]2)2(CCC)	C(CC[6a]HH)(CCC)(O)	C(CC[6a]2)(CC[6a]N)(CCO)	C(C[6a]C[6a]2)2(CCC)	C(CC[6a]HH)(CCC)(O)	123.5500	0.000	1	123.5500	0.000	1	123.5500	0.000	1	121.0904	7.740	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	4:3:1:	C-3:C-3:C-3:	C[6a]-3:N-3:C-3:	C-4:C-3:O-1:	C(CC[6a]N)(CCO)2	C(C[6a]C[6a]2)(NC[5a]H)(CCC)	C(CH3)(CCC)(O)	C(CC[6a]N)(CCO)2	C(C[6a]C[6a]2)(NC[5a]H)(CCC)	C(CH3)(CCC)(O)	120.7755	1.216	2	120.7755	1.477	2	120.7755	1.477	2	121.0904	7.740	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	4:3:2:	C-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-4:C-3:O-2:	C(CC[6a]C)(CCO)2	C(C[6a]C[6a]2)(CCC)(CCH)	C(CH3)(CCC)(OH)	C(CC[6a]C)(CCO)2	C(C[6a]C[6a]2)(CCC)(CCH)	C(CH3)(CCC)(OH)	121.1445	0.463	2	121.1445	0.215	2	121.1445	0.215	2	123.2787	13.771	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	4:3:2:	C-3:C-3:N-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:N-2:	C(CC[6a]2)(CCN)(NOO)	C(C[6a]C[6a]2)2(CCN)	C(CCHH)(CCN)(NO)	C(CC[6a]2)(CCN)(NOO)	C(C[6a]C[6a]2)2(CCN)	C(CCHH)(CCN)(NO)	127.5470	0.000	1	127.5470	0.000	1	127.5470	0.000	1	123.2787	13.771	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	4:3:3:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-4:C-3:C-3:	C(CCC)2(COO)	C(CCC)(CCO)(COO)	C(CH3)(CCC)(CCH)	C(CCC)2(COO)	C(CCC)(CCO)(COO)	C(CH3)(CCC)(CCH)	128.7870	0.000	1	128.7870	0.000	1	123.1265	64.083	2	120.9453	30.279	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	4:3:3:	C-3:C-3:C-3:	C-3:C-3:C-3:	C-4:C-3:C-3:	C(CP[6]H)(CCC)2	C(CCC)(CCH)(COO)	C(CH3)(CCC)(CHH)	C(CP[6]H)(CCC)2	C(CCC)(CCH)(COO)	C(CH3)(CCC)(CHH)	117.4660	0.000	1	117.4660	0.000	1	123.1265	64.083	2	120.9453	30.279	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	4:3:3:	C-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C[5]-4:C-3:C-3:	C(CC[6a]C)(CC[5]C)(CCC)	C(C[6a]C[6a]2)(CC[6]H)(CCC)	C(C[5]C[5]2Fe)(CCC)2	C(CC[6a]C)(CC[5]C)(CCC)	C(C[6a]C[6a]2)(CC[6]H)(CCC)	C(C[5]C[5]2Fe)(CCC)2	116.7990	0.000	1	116.7990	0.000	1	116.7990	0.000	1	120.9453	30.279	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	4:3:3:	C-3:C-3:C-3:	C[6a]-3:C-3:N-3:	C-4:C-3:C-3:	C(CC[6a]N)(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(CCC)(NCH)	C(CHHO)(CCC)(CHH)	C(CC[6a]N)(CC[6a]O)(CCC)	C(C[6a]C[6a]2)(CCC)(NCH)	C(CHHO)(CCC)(CHH)	120.7290	0.000	1	120.7290	0.000	1	120.7290	0.000	1	120.9453	30.279	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	4:4:3:	B-3:C-3:C-3:	C[6a]-3:C-3:C-3:	Si-4:C-4:C-3:	C(BC[6a]Br)(CC[6a]C)(CSiC)	C(C[6a]C[6a]2)(CSiC)(CBC)	C(SiC3)(CH3)(CBC)	C(BC[6a]Br)(CC[6a]C)(CSiC)	C(C[6a]C[6a]2)(CSiC)(CBC)	C(SiC3)(CH3)(CBC)	122.7330	0.000	1	122.7330	0.000	1	122.7435	0.000	2	123.0284	0.243	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	4:4:3:	B-3:C-3:C-3:	C[6a]-3:C-3:C-3:	Si-4:C-4:C-3:	C(BC[6a]Cl)(CC[6a]C)(CSiC)	C(C[6a]C[6a]2)(CSiC)(CBC)	C(SiC3)(CH3)(CBC)	C(BC[6a]Cl)(CC[6a]C)(CSiC)	C(C[6a]C[6a]2)(CSiC)(CBC)	C(SiC3)(CH3)(CBC)	122.7540	0.000	1	122.7540	0.000	1	122.7435	0.000	2	123.0284	0.243	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	4:4:3:	C-3:C-3:B-3:	C[6a]-3:C-3:C-3:	Si-4:C-4:C-3:	C(CC[6a]C)(CSiC)(BOO)	C(C[6a]C[6a]2)(CSiC)(CBC)	C(SiC3)(CH3)(CBC)	C(CC[6a]C)(CSiC)(BOO)	C(C[6a]C[6a]2)(CSiC)(CBC)	C(SiC3)(CH3)(CBC)	122.5470	0.000	1	122.5470	0.000	1	122.5470	0.000	1	123.0284	0.243	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	4:4:3:	C-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-4:C-4:C-3:	C(CC[6a]C)(CCC)(COO)	C(C[6a]C[6a,6a]2)(CCC)(CCH)	C(CCCH)(CH3)(CCC)	C(CC[6a]C)(CCC)(COO)	C(C[6a]C[6a,6a]2)(CCC)(CCH)	C(CCCH)(CH3)(CCC)	123.4400	0.000	1	123.4400	0.000	1	123.5540	0.026	2	123.0284	0.243	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:3:	4:4:3:	C-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C-4:C-4:C-3:	C(CC[6a]C)(CCC)(COO)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CCHH)(CH3)(CCC)	C(CC[6a]C)(CCC)(COO)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CCHH)(CH3)(CCC)	123.6680	0.000	1	123.6680	0.000	1	123.5540	0.026	2	123.0284	0.243	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:4:	3:1:1:	C[6a]-3:C-3:C-3:	C[5]-3:C-3:C-4:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CC[5]C)(CHH)	C(C[5]C[5]2)(CC[6a]C)(CH3)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CC[5]C)(CHH)	C(C[5]C[5]2)(CC[6a]C)(CH3)	C(CC[6a]C)(H)2	120.0030	0.000	1	120.0030	0.000	1	120.0030	0.000	1	120.0030	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:4:	3:2:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-4:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C(CC[6a]C)(OH)(O)	C(C[6a]C[6a]2)(CC[6a]C)(COO)	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C(CC[6a]C)(OH)(O)	119.6430	0.000	1	119.6430	0.000	1	119.6430	0.000	1	121.4655	6.643	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:4:	3:2:1:	N[4]-3:C-3:C-3:	N[6]-3:C-3:C-4:	C-3:O-2:O-1:	C(N[4]C[4,5]C[4])(CN[6]C)(COO)	C(N[6]C[6]2)(CN[4]C)(CH3)	C(CN[4]C)(OC)(O)	C(N[4]C[4,5]C[4])(CN[6]C)(COO)	C(N[6]C[6]2)(CN[4]C)(CH3)	C(CN[4]C)(OC)(O)	123.2880	0.000	1	123.2880	0.000	1	123.2880	0.000	1	121.4655	6.643	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-4:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C(CC[6a]C)(NCC)(O)	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C(C[6a]C[6a]2)(CC[6a]C)(CCHH)	C(CC[6a]C)(NCC)(O)	120.2280	0.000	1	120.2280	0.000	1	121.3592	7.626	5	121.3750	6.102	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-4:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C(CC[6a]C)(NCC)(O)	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C(CC[6a]C)(NCC)(O)	125.7060	0.000	1	125.7060	0.000	1	121.3592	7.626	5	121.3750	6.102	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-4:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C(CC[6a]C)(NCH)(O)	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C(CC[6a]C)(NCH)(O)	120.6580	0.000	1	120.6580	0.000	1	121.3592	7.626	5	121.3750	6.102	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-4:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C(CC[6a]C)(NHS)(O)	C(C[6a]C[6a]2)(CC[6a]C)(CNO)	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C(CC[6a]C)(NHS)(O)	120.1020	2.584	2	120.1020	6.676	2	121.3592	7.626	5	121.3750	6.102	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-4:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[6a]C)(CC[6a]O)	C(C[6a]C[6a]2)(CC[6a]C)(CH3)	C(C[6a]C[6a]2)(CC[6a]C)(O)	121.4540	0.000	1	121.4540	0.000	1	121.4540	0.000	1	121.3750	6.102	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:4:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:Si-4:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]Si)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(SiCl2C)	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]Si)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(SiCl2C)	C(C[6a]C[6a]2)(CC[6a]C)2	121.5400	0.000	1	121.5400	0.000	1	121.5400	0.000	1	121.5400	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:3:4:	3:3:4:	N[5]-3:C-3:C-3:	C-3:N-3:C-4:	C-3:N-3:C-4:	C(N[5]C[5]2)(CCN)2	C(CN[5]C)(NCuC)(CH3)	C(CN[5]C)(NCuC)(CH3)	C(N[5]C[5]2)(CCN)2	C(CN[5]C)(NCuC)(CH3)	C(CN[5]C)(NCuC)(CH3)	129.7010	0.000	1	129.7010	0.000	1	129.7010	0.000	1	129.7010	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:1:	3:1:1:	C[5]-3:C-3:C-3:	C-3:C-4:O-1:	C-3:H-1:O-1:	C(C[5]C[5,6a]C[5])(CCO)(CHO)	C(CC[5]C)(CCHH)(O)	C(CC[5]C)(H)(O)	C(C[5]C[5,6a]C[5])(CCO)(CHO)	C(CC[5]C)(CCHH)(O)	C(CC[5]C)(H)(O)	113.4330	0.000	1	113.4330	0.000	1	113.4330	0.000	1	113.4330	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:1:	3:2:1:	C[5]-3:C-3:C-3:	C-3:C-4:O-1:	C-3:O-2:O-1:	C(C[5]C[5]N[5])(CCO)(COO)	C(CC[5]C)(CH3)(O)	C(CC[5]C)(OC)(O)	C(C[5]C[5]N[5])(CCO)(COO)	C(CC[5]C)(CH3)(O)	C(CC[5]C)(OC)(O)	118.6590	0.000	1	118.6590	0.000	1	119.5680	1.653	2	120.6944	7.438	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:1:	3:2:1:	C[5]-3:C-3:C-3:	C-3:C-4:O-1:	C-3:O-2:O-1:	C(C[5]C[5]O[5])(CCO)(COO)	C(CC[5]C)(CCHH)(O)	C(CC[5]C)(OC)(O)	C(C[5]C[5]O[5])(CCO)(COO)	C(CC[5]C)(CCHH)(O)	C(CC[5]C)(OC)(O)	120.4770	0.000	1	120.4770	0.000	1	119.5680	1.653	2	120.6944	7.438	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:1:	3:2:1:	C[5a]-3:C-3:C-3:	C-3:C-4:H-1:	C-3:O-2:O-1:	C(C[5a]C[5a]S[5a])(CCH)(COO)	C(CC[5a]C)(CC3)(H)	C(CC[5a]C)(OC)(O)	C(C[5a]C[5a]S[5a])(CCH)(COO)	C(CC[5a]C)(CC3)(H)	C(CC[5a]C)(OC)(O)	117.0960	0.000	1	117.0960	0.000	1	117.0960	0.000	1	120.6944	7.438	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:1:	3:2:1:	C[6a]-3:C-3:C-3:	C-3:C-4:H-1:	C-3:N-2:H-1:	C(C[6a]C[6a]2)(CCH)(CHN)	C(CC[6a]C)(CCCH)(H)	C(CC[6a]C)(NN)(H)	C(C[6a]C[6a]2)(CCH)(CHN)	C(CC[6a]C)(CCCH)(H)	C(CC[6a]C)(NN)(H)	117.4550	0.000	1	117.4550	0.000	1	117.4550	0.000	1	120.6944	7.438	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:1:	3:2:1:	C[6a]-3:C-3:C-3:	C-3:C-4:H-1:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CCH)(COO)	C(CC[6a]C)(CH3)(H)	C(CC[6a]C)(OH)(O)	C(C[6a]C[6a]2)(CCH)(COO)	C(CC[6a]C)(CH3)(H)	C(CC[6a]C)(OH)(O)	120.4530	0.054	2	120.4530	0.003	2	120.4530	0.003	2	120.6944	7.438	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:1:	3:2:1:	N[4]-3:C-3:C-3:	C-3:C-4:O-1:	C-3:O-2:O-1:	C(N[4]C[4]2)(CCO)(COO)	C(CN[4]C)(CCHH)(O)	C(CN[4]C)(OC)(O)	C(N[4]C[4]2)(CCO)(COO)	C(CN[4]C)(CCHH)(O)	C(CN[4]C)(OC)(O)	124.7800	0.000	1	124.7800	0.000	1	124.7800	0.000	1	120.6944	7.438	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:1:	3:2:1:	N[5]-3:C-3:C-3:	C-3:C-4:H-1:	C-3:O-2:O-1:	C(N[5]C[5]2)(CCH)(COO)	C(CN[5]C)(CCHH)(H)	C(CN[5]C)(OC)(O)	C(N[5]C[5]2)(CCH)(COO)	C(CN[5]C)(CCHH)(H)	C(CN[5]C)(OC)(O)	123.4385	0.049	2	123.4385	0.002	2	123.4385	0.002	2	120.6944	7.438	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:1:	3:3:1:	C[6a]-3:C-3:C-3:	C-3:C-4:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)2	C(CC[6a]C)(CCCH)(H)	C(CC[6a]C)(CCC)(H)	C(C[6a]C[6a]2)(CCH)2	C(CC[6a]C)(CCCH)(H)	C(CC[6a]C)(CCC)(H)	124.4390	0.000	1	124.4390	0.000	1	124.4390	0.000	1	119.0970	13.653	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:1:	3:3:1:	C[6a]-3:C-3:C-3:	C-3:C-4:H-1:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CCH)(CNO)	C(CC[6a]C)(CCHH)(H)	C(CC[6a]C)(NCC)(O)	C(C[6a]C[6a]2)(CCH)(CNO)	C(CC[6a]C)(CCHH)(H)	C(CC[6a]C)(NCC)(O)	118.0055	0.247	2	118.0055	0.061	2	117.3163	1.455	3	119.0970	13.653	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:1:	3:3:1:	C[6a]-3:C-3:C-3:	C-3:C-4:H-1:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CCH)(CNO)	C(CC[6a]C)(CCHH)(H)	C(CC[6a]C)(NHS)(O)	C(C[6a]C[6a]2)(CCH)(CNO)	C(CC[6a]C)(CCHH)(H)	C(CC[6a]C)(NHS)(O)	115.9380	0.000	1	115.9380	0.000	1	117.3163	1.455	3	119.0970	13.653	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:1:	3:3:4:	C[6a]-3:C-3:C-3:	C-3:C-4:H-1:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)(CH3)(H)	C(CC[6a]C)2(CH3)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)(CH3)(H)	C(CC[6a]C)2(CH3)	119.2955	1.334	2	119.2955	1.780	2	119.2955	1.780	2	119.2955	1.780	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:1:	3:4:1:	C[5]-3:C-3:C-3:	C-3:C-4:O-1:	C-3:C-4:O-1:	C(C[5]C[5,6a]O[5])(CCO)2	C(CC[5]C)(CH3)(O)	C(CC[5]C)(CH3)(O)	C(C[5]C[5,6a]O[5])(CCO)2	C(CC[5]C)(CH3)(O)	C(CC[5]C)(CH3)(O)	113.6400	0.000	1	113.6400	0.000	1	118.7807	19.863	3	119.9161	9.533	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:1:	3:4:1:	C[5]-3:C-3:C-3:	C-3:C-4:O-1:	C-3:C-4:O-1:	C(C[5]N[5]S[5])(CCO)2	C(CC[5]C)(CH3)(O)	C(CC[5]C)(CH3)(O)	C(C[5]N[5]S[5])(CCO)2	C(CC[5]C)(CH3)(O)	C(CC[5]C)(CH3)(O)	121.5580	0.000	1	121.5580	0.000	1	118.7807	19.863	3	119.9161	9.533	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:1:	3:4:1:	C[5]-3:C-3:C-3:	C-3:C-4:O-1:	C-3:C-4:O-1:	C(C[5]Se[5]N[5])(CCO)2	C(CC[5]C)(CH3)(O)	C(CC[5]C)(CH3)(O)	C(C[5]Se[5]N[5])(CCO)2	C(CC[5]C)(CH3)(O)	C(CC[5]C)(CH3)(O)	121.1440	0.000	1	121.1440	0.000	1	118.7807	19.863	3	119.9161	9.533	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:1:	3:4:1:	C[6]-3:C-3:C-3:	C-3:C-4:O-1:	C-3:C-4:O-1:	C(C[6]C[6]N[6])(CCO)2	C(CC[6]C)(CH3)(O)	C(CC[6]C)(CH3)(O)	C(C[6]C[6]N[6])(CCO)2	C(CC[6]C)(CH3)(O)	C(CC[6]C)(CH3)(O)	118.6720	0.000	1	118.6720	0.000	1	121.7495	18.942	2	119.9161	9.533	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:1:	3:4:1:	C[6]-3:C-3:C-3:	C-3:C-4:O-1:	C-3:C-4:O-1:	C(C[6]N[6]2)(CCO)2	C(CC[6]C)(CH3)(O)	C(CC[6]C)(CH3)(O)	C(C[6]N[6]2)(CCO)2	C(CC[6]C)(CH3)(O)	C(CC[6]C)(CH3)(O)	124.8270	0.000	1	124.8270	0.000	1	121.7495	18.942	2	119.9161	9.533	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:1:	3:4:1:	C[6a]-3:C-3:C-3:	C-3:C-4:O-1:	C-3:C-4:O-1:	C(C[6a]C[6a]2)(CCO)2	C(CC[6a]C)(CH3)(O)	C(CC[6a]C)(CH3)(O)	C(C[6a]C[6a]2)(CCO)2	C(CC[6a]C)(CH3)(O)	C(CC[6a]C)(CH3)(O)	119.1137	0.481	3	119.1137	0.231	3	119.1137	0.231	3	119.9161	9.533	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:1:	3:4:1:	N[5a]-3:C-3:C-3:	C-3:C-4:O-1:	C-3:C-4:O-1:	C(N[5a]C[5a]N[5a])(CCO)2	C(CN[5a]C)(CH3)(O)	C(CN[5a]C)(CH3)(O)	C(N[5a]C[5a]N[5a])(CCO)2	C(CN[5a]C)(CH3)(O)	C(CN[5a]C)(CH3)(O)	122.0630	0.000	1	122.0630	0.000	1	122.0630	0.000	1	119.9161	9.533	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:2:	3:2:1:	C[5a]-3:C-3:C-3:	C-3:C-4:O-2:	C-3:O-2:O-1:	C(C[5a]C[5a,6a]C[5a])(CCO)(COO)	C(CC[5a]C)(CH3)(OH)	C(CC[5a]C)(OC)(O)	C(C[5a]C[5a,6a]C[5a])(CCO)(COO)	C(CC[5a]C)(CH3)(OH)	C(CC[5a]C)(OC)(O)	118.1770	0.000	1	118.1770	0.000	1	118.5590	0.292	2	117.9516	0.778	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:2:	3:2:1:	C[5a]-3:C-3:C-3:	C-3:C-4:O-2:	C-3:O-2:O-1:	C(C[5a]C[5a]O[5a])(CCO)(COO)	C(CC[5a]C)(CH3)(OH)	C(CC[5a]C)(OC)(O)	C(C[5a]C[5a]O[5a])(CCO)(COO)	C(CC[5a]C)(CH3)(OH)	C(CC[5a]C)(OC)(O)	118.9410	0.000	1	118.9410	0.000	1	118.5590	0.292	2	117.9516	0.778	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:2:	3:2:1:	C[6a]-3:C-3:C-3:	C-3:C-4:O-2:	C-3:O-2:O-1:	C(C[6a]C[5,6a]C[6a])(CCO)(COO)	C(CC[6a]C)(CCHH)(OH)	C(CC[6a]C)(OC)(O)	C(C[6a]C[5,6a]C[6a])(CCO)(COO)	C(CC[6a]C)(CCHH)(OH)	C(CC[6a]C)(OC)(O)	118.0610	0.034	2	118.0610	0.001	2	117.5467	0.794	3	117.9516	0.778	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:2:	3:2:1:	C[6a]-3:C-3:C-3:	C-3:C-4:O-2:	C-3:O-2:O-1:	C(C[6a]C[5a,6a]C[6a])(CCO)(COO)	C(CC[6a]C)(CCHH)(OH)	C(CC[6a]C)(OC)(O)	C(C[6a]C[5a,6a]C[6a])(CCO)(COO)	C(CC[6a]C)(CCHH)(OH)	C(CC[6a]C)(OC)(O)	116.5180	0.000	1	116.5180	0.000	1	117.5467	0.794	3	117.9516	0.778	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:2:	3:3:1:	C[6a]-3:C-3:C-3:	C-3:C-4:C-2:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CCC)(CNO)	C(CC[6a]C)(CH3)(CC)	C(CC[6a]C)(NCC)(O)	C(C[6a]C[6a]2)(CCC)(CNO)	C(CC[6a]C)(CH3)(CC)	C(CC[6a]C)(NCC)(O)	120.0900	0.000	1	120.0900	0.000	1	120.0900	0.000	1	120.0900	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:2:	3:4:1:	C[6]-3:C-3:C-3:	C-3:C-4:O-2:	C-3:C-4:O-1:	C(C[6]C[6]2)(CCO)2	C(CC[6]C)(CH3)(OH)	C(CC[6]C)(CH3)(O)	C(C[6]C[6]2)(CCO)2	C(CC[6]C)(CH3)(OH)	C(CC[6]C)(CH3)(O)	119.4843	1.253	8	119.4843	1.570	8	119.4843	1.570	8	119.0186	1.016	17	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:2:	3:4:1:	C[6a]-3:C-3:C-3:	C-3:C-4:O-2:	C-3:C-4:O-1:	C(C[6a]C[6a]2)(CCO)2	C(CC[6a]C)(CH3)(OH)	C(CC[6a]C)(CH3)(O)	C(C[6a]C[6a]2)(CCO)2	C(CC[6a]C)(CH3)(OH)	C(CC[6a]C)(CH3)(O)	118.6047	0.497	9	118.6047	0.247	9	118.6047	0.247	9	119.0186	1.016	17	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:2:	3:4:2:	C[6]-3:C-3:C-3:	C-3:C-4:O-2:	C-3:C-4:O-2:	C(C[6]C[6]2)(CCO)2	C(CC[6]C)(CH3)(OBe)	C(CC[6]C)(CH3)(OBe)	C(C[6]C[6]2)(CCO)2	C(CC[6]C)(CH3)(OBe)	C(CC[6]C)(CH3)(OBe)	120.4450	0.000	1	120.4450	0.000	1	124.6748	9.324	5	122.3063	3.390	35	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:2:	3:4:2:	C[6]-3:C-3:C-3:	C-3:C-4:O-2:	C-3:C-4:O-2:	C(C[6]C[6]2)(CCO)2	C(CC[6]C)(CH3)(OIr)	C(CC[6]C)(CH3)(OIr)	C(C[6]C[6]2)(CCO)2	C(CC[6]C)(CH3)(OIr)	C(CC[6]C)(CH3)(OIr)	126.8243	0.557	3	126.8243	0.310	3	124.6748	9.324	5	122.3063	3.390	35	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:2:	3:4:2:	C[6]-3:C-3:C-3:	C-3:C-4:O-2:	C-3:C-4:O-2:	C(C[6]C[6]2)(CCO)2	C(CC[6]C)(CH3)(ONi)	C(CC[6]C)(CH3)(ONi)	C(C[6]C[6]2)(CCO)2	C(CC[6]C)(CH3)(ONi)	C(CC[6]C)(CH3)(ONi)	122.4560	0.000	1	122.4560	0.000	1	124.6748	9.324	5	122.3063	3.390	35	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:2:	3:4:2:	C[6a]-3:C-3:C-3:	C-3:C-4:O-2:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(CCO)2	C(CC[6a]C)(CCHH)(OCu)	C(CC[6a]C)(CCHH)(OCu)	C(C[6a]C[6a]2)(CCO)2	C(CC[6a]C)(CCHH)(OCu)	C(CC[6a]C)(CCHH)(OCu)	122.3927	0.683	8	122.3927	0.466	8	121.9116	1.561	30	122.3063	3.390	35	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:2:	3:4:2:	C[6a]-3:C-3:C-3:	C-3:C-4:O-2:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(CCO)2	C(CC[6a]C)(CH3)(OAl)	C(CC[6a]C)(CH3)(OAl)	C(C[6a]C[6a]2)(CCO)2	C(CC[6a]C)(CH3)(OAl)	C(CC[6a]C)(CH3)(OAl)	120.5740	0.272	3	120.5740	0.074	3	121.9116	1.561	30	122.3063	3.390	35	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:2:	3:4:2:	C[6a]-3:C-3:C-3:	C-3:C-4:O-2:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(CCO)2	C(CC[6a]C)(CH3)(OBe)	C(CC[6a]C)(CH3)(OBe)	C(C[6a]C[6a]2)(CCO)2	C(CC[6a]C)(CH3)(OBe)	C(CC[6a]C)(CH3)(OBe)	120.6370	0.000	1	120.6370	0.000	1	121.9116	1.561	30	122.3063	3.390	35	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:2:	3:4:2:	C[6a]-3:C-3:C-3:	C-3:C-4:O-2:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(CCO)2	C(CC[6a]C)(CH3)(OCu)	C(CC[6a]C)(CH3)(OCu)	C(C[6a]C[6a]2)(CCO)2	C(CC[6a]C)(CH3)(OCu)	C(CC[6a]C)(CH3)(OCu)	121.4690	0.918	7	121.4690	0.843	7	121.9116	1.561	30	122.3063	3.390	35	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:2:	3:4:2:	C[6a]-3:C-3:C-3:	C-3:C-4:O-2:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(CCO)2	C(CC[6a]C)(CH3)(OFe)	C(CC[6a]C)(CH3)(OFe)	C(C[6a]C[6a]2)(CCO)2	C(CC[6a]C)(CH3)(OFe)	C(CC[6a]C)(CH3)(OFe)	121.6500	0.852	6	121.6500	0.726	6	121.9116	1.561	30	122.3063	3.390	35	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:2:	3:4:2:	C[6a]-3:C-3:C-3:	C-3:C-4:O-2:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(CCO)2	C(CC[6a]C)(CH3)(OIr)	C(CC[6a]C)(CH3)(OIr)	C(C[6a]C[6a]2)(CCO)2	C(CC[6a]C)(CH3)(OIr)	C(CC[6a]C)(CH3)(OIr)	124.4210	1.294	2	124.4210	1.674	2	121.9116	1.561	30	122.3063	3.390	35	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:2:	3:4:2:	C[6a]-3:C-3:C-3:	C-3:C-4:O-2:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(CCO)2	C(CC[6a]C)(CH3)(ONi)	C(CC[6a]C)(CH3)(ONi)	C(C[6a]C[6a]2)(CCO)2	C(CC[6a]C)(CH3)(ONi)	C(CC[6a]C)(CH3)(ONi)	120.1580	0.000	1	120.1580	0.000	1	121.9116	1.561	30	122.3063	3.390	35	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:2:	3:4:2:	C[6a]-3:C-3:C-3:	C-3:C-4:O-2:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(CCO)2	C(CC[6a]C)(CH3)(OPt)	C(CC[6a]C)(CH3)(OPt)	C(C[6a]C[6a]2)(CCO)2	C(CC[6a]C)(CH3)(OPt)	C(CC[6a]C)(CH3)(OPt)	124.0910	0.000	1	124.0910	0.000	1	121.9116	1.561	30	122.3063	3.390	35	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:2:	3:4:2:	C[6a]-3:C-3:C-3:	C-3:C-4:O-2:	C-3:C-4:O-2:	C(C[6a]C[6a]2)(CCO)2	C(CC[6a]C)(CH3)(ORh)	C(CC[6a]C)(CH3)(ORh)	C(C[6a]C[6a]2)(CCO)2	C(CC[6a]C)(CH3)(ORh)	C(CC[6a]C)(CH3)(ORh)	122.5730	0.000	1	122.5730	0.000	1	121.9116	1.561	30	122.3063	3.390	35	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	2:4:3:	C-3:C-3:C-3:	N-3:C-4:C-3:	N-2:C-4:C-3:	C(CCC)(CCN)2	C(NC[6a]H)(CH3)(CCC)	C(NC[6a])(CH3)(CCC)	C(CCC)(CCN)2	C(NC[6a]H)(CH3)(CCC)	C(NC[6a])(CH3)(CCC)	122.4780	0.337	4	122.4780	0.114	4	123.4920	1.473	8	123.4634	1.729	10	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	2:4:3:	C-3:C-3:C-3:	N-3:C-4:C-3:	N-2:C-4:C-3:	C(CC[6a]O)(CCN)2	C(NC[6a]H)(CH3)(CCC)	C(NC[6a])(CH3)(CCC)	C(CC[6a]O)(CCN)2	C(NC[6a]H)(CH3)(CCC)	C(NC[6a])(CH3)(CCC)	124.5060	0.763	4	124.5060	0.582	4	123.4920	1.473	8	123.4634	1.729	10	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	2:4:3:	N-3:C-3:C-3:	N-3:C-4:C-3:	N-2:C-4:C-3:	C(NCuO)(CCN)2	C(NC[6a]Cu)(CH3)(CCN)	C(NC[6a])(CH3)(CCN)	C(NCuO)(CCN)2	C(NC[6a]Cu)(CH3)(CCN)	C(NC[6a])(CH3)(CCN)	124.9640	0.000	1	124.9640	0.000	1	124.9640	0.000	1	123.4634	1.729	10	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	2:4:3:	P-3:C-3:C-3:	N-3:C-4:C-3:	N-2:C-4:C-3:	C(PC[6a]2)(CCN)2	C(NC[6a]H)(CH3)(CCP)	C(NC[6a])(CH3)(CCP)	C(PC[6a]2)(CCN)2	C(NC[6a]H)(CH3)(CCP)	C(NC[6a])(CH3)(CCP)	121.7340	0.000	1	121.7340	0.000	1	121.7340	0.000	1	123.4634	1.729	10	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:1:1:	N-3:C-3:C-3:	N-3:C-4:C-3:	C-3:H-1:H-1:	C(NC[6a]Al)(CCN)(CHH)	C(NC[6a]Al)(CH3)(CCN)	C(CCN)(H)2	C(NC[6a]Al)(CCN)(CHH)	C(NC[6a]Al)(CH3)(CCN)	C(CCN)(H)2	121.4050	0.000	1	121.4050	0.000	1	121.4050	0.000	1	121.4050	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-4:C-3:	C-3:O-2:O-1:	C(CCC)(CCH)(COO)	C(CC[6a]H)(CH3)(CCC)	C(CCC)(OC)(O)	C(CCC)(CCH)(COO)	C(CC[6a]H)(CH3)(CCC)	C(CCC)(OC)(O)	115.6985	0.589	2	115.6985	0.347	2	116.4532	14.230	6	119.7341	16.807	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-4:C-3:	C-3:O-2:O-1:	C(CCC)2(COO)	C(CIrC)(CH3)(CCC)	C(CCC)(OC)(O)	C(CCC)2(COO)	C(CIrC)(CH3)(CCC)	C(CCC)(OC)(O)	110.4780	0.000	1	110.4780	0.000	1	116.4532	14.230	6	119.7341	16.807	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-4:C-3:	C-3:O-2:O-1:	C(CC[6a]O)(CCC)(COO)	C(CC[6]C)(CCFF)(CCC)	C(CCC)(OC)(O)	C(CC[6a]O)(CCC)(COO)	C(CC[6]C)(CCFF)(CCC)	C(CCC)(OC)(O)	117.3575	0.330	2	117.3575	0.109	2	116.4532	14.230	6	119.7341	16.807	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:2:1:	C-3:C-3:C-3:	C-3:C-4:C-3:	C-3:O-2:O-1:	C(CIrC)(CCC)(COO)	C(CIrC)(CH3)(CCC)	C(CCC)(OC)(O)	C(CIrC)(CCC)(COO)	C(CIrC)(CH3)(CCC)	C(CCC)(OC)(O)	122.1290	0.000	1	122.1290	0.000	1	116.4532	14.230	6	119.7341	16.807	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:2:1:	C-3:C-3:C-3:	N-3:C-4:C-3:	C-3:O-2:O-1:	C(CCN)(COO)2	C(NC[6a]H)(CH3)(CCC)	C(CCC)(OC)(O)	C(CCN)(COO)2	C(NC[6a]H)(CH3)(CCC)	C(CCC)(OC)(O)	120.4635	0.424	2	120.4635	0.179	2	118.3064	5.094	7	119.7341	16.807	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:2:1:	C-3:C-3:C-3:	N-3:C-4:C-3:	C-3:O-2:O-1:	C(CCN)2(COO)	C(NC[6a]Ni)(CH3)(CCC)	C(CCC)(OC)(O)	C(CCN)2(COO)	C(NC[6a]Ni)(CH3)(CCC)	C(CCC)(OC)(O)	116.6317	1.179	4	116.6317	1.391	4	118.3064	5.094	7	119.7341	16.807	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:2:1:	C-3:C-3:C-3:	N-3:C-4:C-3:	C-3:O-2:O-1:	C(CIrC)(CCN)(COO)	C(NIrH)(CH3)(CCC)	C(CCC)(OC)(O)	C(CIrC)(CCN)(COO)	C(NIrH)(CH3)(CCC)	C(CCC)(OC)(O)	120.6910	0.000	1	120.6910	0.000	1	118.3064	5.094	7	119.7341	16.807	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:2:1:	C-3:C-3:C-3:	N[5]-3:C-4:C-3:	C-3:O-2:O-1:	C(CN[5]C)(CCC)(COO)	C(N[5]C[5]2)(CCHH)(CCC)	C(CCC)(OC)(O)	C(CN[5]C)(CCC)(COO)	C(N[5]C[5]2)(CCHH)(CCC)	C(CCC)(OC)(O)	119.6910	0.000	1	119.6910	0.000	1	119.6910	0.000	1	119.7341	16.807	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:2:1:	C-3:C-3:C-3:	N[6]-3:C-4:C-3:	C-3:O-2:O-1:	C(CN[6]C)(CCC)(COO)	C(N[6]C[6]2)(CCHH)(CCC)	C(CCC)(OC)(O)	C(CN[6]C)(CCC)(COO)	C(N[6]C[6]2)(CCHH)(CCC)	C(CCC)(OC)(O)	122.4620	0.000	1	122.4620	0.000	1	122.4620	0.000	1	119.7341	16.807	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:2:1:	C-3:C-3:N-3:	C-3:C-4:C-3:	C-3:O-2:O-1:	C(CCC)(COO)(NCH)	C(CC[6a]O)(CH3)(CCN)	C(CCN)(OC)(O)	C(CCC)(COO)(NCH)	C(CC[6a]O)(CH3)(CCN)	C(CCN)(OC)(O)	126.0240	0.000	1	126.0240	0.000	1	126.0240	0.000	1	119.7341	16.807	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:2:1:	C-3:C-3:N-3:	C[6a]-3:C-4:C-3:	C-3:O-2:O-1:	C(CC[6a]C)(COO)(NCH)	C(C[6a]C[6a]2)(CCHH)(CCN)	C(CCN)(OC)(O)	C(CC[6a]C)(COO)(NCH)	C(C[6a]C[6a]2)(CCHH)(CCN)	C(CCN)(OC)(O)	125.0720	0.000	1	125.0720	0.000	1	125.1077	3.549	3	119.7341	16.807	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:2:1:	C-3:C-3:N-3:	C[6a]-3:C-4:C-3:	C-3:O-2:O-1:	C(CC[6a]C)(COO)(NCH)	C(C[6a]C[6a]2)(CC[6a]HO)(CCN)	C(CCN)(OC)(O)	C(CC[6a]C)(COO)(NCH)	C(C[6a]C[6a]2)(CC[6a]HO)(CCN)	C(CCN)(OC)(O)	125.1255	2.664	2	125.1255	7.095	2	125.1077	3.549	3	119.7341	16.807	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:2:1:	C[6a]-3:C-3:C-3:	C-3:C-4:N-3:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CCN)(COO)	C(CC[6a]C)(CCHH)(NHS)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CCN)(COO)	C(CC[6a]C)(CCHH)(NHS)	C(CC[6a]C)(OC)(O)	120.5540	0.000	1	120.5540	0.000	1	120.5540	0.000	1	119.7341	16.807	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:2:1:	N[5a]-3:C-3:C-3:	C-3:C-4:N-3:	C-3:O-2:O-1:	C(N[5a]C[5a,6a]N[5a])(CCN)(COO)	C(CN[5a]C)(CH3)(NCH)	C(CN[5a]C)(OC)(O)	C(N[5a]C[5a,6a]N[5a])(CCN)(COO)	C(CN[5a]C)(CH3)(NCH)	C(CN[5a]C)(OC)(O)	123.4990	0.000	1	123.4990	0.000	1	123.4990	0.000	1	119.7341	16.807	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:2:2:	N[6]-3:C-3:C-3:	C-3:C-4:C-3:	C-3:C-2:C-2:	C(N[6]C[6,6a]2)(CCC)2	C(CN[6]C)(CH3)(CCC)	C(CN[6]C)(CN)2	C(N[6]C[6,6a]2)(CCC)2	C(CN[6]C)(CH3)(CCC)	C(CN[6]C)(CN)2	117.6200	0.000	1	117.6200	0.000	1	117.6200	0.000	1	117.6200	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:3:1:	C-3:C-3:C-3:	C-3:C-4:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(COO)	C(CC[6a]H)(CH3)(CCC)	C(CCC)(COO)(H)	C(CCC)(CCH)(COO)	C(CC[6a]H)(CH3)(CCC)	C(CCC)(COO)(H)	123.3155	0.460	2	123.3155	0.212	2	123.3155	0.212	2	120.8671	4.839	25	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:3:1:	C-3:C-3:C-3:	C[6a]-3:C-4:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCC)(CCH)	C(C[6a]C[6a]2)(CH3)(CCC)	C(CC[6a]H)(CCC)(H)	C(CC[6a]C)(CCC)(CCH)	C(C[6a]C[6a]2)(CH3)(CCC)	C(CC[6a]H)(CCC)(H)	122.7250	0.277	2	122.7250	0.077	2	122.7250	0.077	2	120.8671	4.839	25	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:3:1:	C-3:C-3:C-3:	N-3:C-4:C-3:	C-3:N-3:O-1:	C(CCN)(CCO)(CNO)	C(NC[6a]H)(CCHH)(CCC)	C(CCC)(NCC)(O)	C(CCN)(CCO)(CNO)	C(NC[6a]H)(CCHH)(CCC)	C(CCC)(NCC)(O)	118.6250	0.000	1	118.6250	0.000	1	118.6250	0.000	1	120.8671	4.839	25	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:3:1:	C-3:C-3:C-3:	N-3:C-4:C-3:	N-3:C-3:H-1:	C(CCN)(CCO)(CHN)	C(NC[6]Ni)(CH3)(CCC)	C(NC[6]Ni)(CCC)(H)	C(CCN)(CCO)(CHN)	C(NC[6]Ni)(CH3)(CCC)	C(NC[6]Ni)(CCC)(H)	120.8700	0.643	4	120.8700	0.413	4	119.8156	2.684	11	120.8671	4.839	25	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:3:1:	C-3:C-3:C-3:	N-3:C-4:C-3:	N-3:C-3:H-1:	C(CCN)(CCO)(CHN)	C(NNiC)(CH3)(CCC)	C(NNiC)(CCC)(H)	C(CCN)(CCO)(CHN)	C(NNiC)(CH3)(CCC)	C(NNiC)(CCC)(H)	120.4100	0.098	2	120.4100	0.010	2	119.8156	2.684	11	120.8671	4.839	25	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:3:1:	C-3:C-3:C-3:	N-3:C-4:C-3:	N-3:C-3:H-1:	C(CCN)2(CHN)	C(NNiC)(CH3)(CCC)	C(NNiC)(CCC)(H)	C(CCN)2(CHN)	C(NNiC)(CH3)(CCC)	C(NNiC)(CCC)(H)	118.7344	1.910	5	118.7344	3.649	5	119.8156	2.684	11	120.8671	4.839	25	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:3:1:	C-3:C-3:N-3:	C[6a]-3:C-4:C-3:	N[5]-3:C-3:O-1:	C(CC[6a]C)(CN[5]O)(NCH)	C(C[6a]C[6a]2)(CCHH)(CCN)	C(N[5]C[5]2)(CCN)(O)	C(CC[6a]C)(CN[5]O)(NCH)	C(C[6a]C[6a]2)(CCHH)(CCN)	C(N[5]C[5]2)(CCN)(O)	119.7160	0.000	1	119.7160	0.000	1	119.7160	0.000	1	120.8671	4.839	25	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C-3:C-3:	C-3:C-4:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)(CCHN)(CCH)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)(CCHN)(CCH)	C(CC[6a]C)(CCH)(H)	123.9807	0.706	3	123.9807	0.499	3	123.9807	0.499	3	120.8671	4.839	25	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C-3:C-3:	C-3:C-4:C-3:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CCC)(CNO)	C(CC[6a]C)(CH3)(CCH)	C(CC[6a]C)(NCC)(O)	C(C[6a]C[6a]2)(CCC)(CNO)	C(CC[6a]C)(CH3)(CCH)	C(CC[6a]C)(NCC)(O)	121.8383	0.332	3	121.8383	0.110	3	121.8383	0.110	3	120.8671	4.839	25	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:3:1:	N-3:C-3:C-3:	N-3:C-4:C-3:	C-3:C-3:H-1:	C(NC[6a]Pt)(CCH)(CCN)	C(NC[6a]Pt)(CH3)(CCN)	C(CCH)(CCN)(H)	C(NC[6a]Pt)(CCH)(CCN)	C(NC[6a]Pt)(CH3)(CCN)	C(CCH)(CCN)(H)	117.9135	1.013	2	117.9135	1.027	2	117.9135	1.027	2	120.8671	4.839	25	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:3:3:	C-3:C-3:C-3:	C-3:C-4:C-3:	C-3:C-3:C-3:	C(CCC)2(COO)	C(CIrC)(CH3)(CCC)	C(CCC)2(COO)	C(CCC)2(COO)	C(CIrC)(CH3)(CCC)	C(CCC)2(COO)	129.7740	0.000	1	129.7740	0.000	1	129.7740	0.000	1	122.7516	10.944	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:3:3:	C-3:C-3:C-3:	C[6a]-3:C-4:C-3:	C-3:C-3:C-3:	C(CC[6a]C)(CCC)(CCH)	C(C[6a]C[6a]2)(CH3)(CCC)	C(CC[6a]C)(CCC)(CCH)	C(CC[6a]C)(CCC)(CCH)	C(C[6a]C[6a]2)(CH3)(CCC)	C(CC[6a]C)(CCC)(CCH)	119.9245	0.054	2	119.9245	0.003	2	119.9245	0.003	2	122.7516	10.944	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:3:3:	C-3:C-3:C-3:	N-3:C-4:C-3:	C-3:C-3:C-3:	C(CCC)(CCN)2	C(NC[6a]H)(CH3)(CCC)	C(CCC)(CCN)2	C(CCC)(CCN)2	C(NC[6a]H)(CH3)(CCC)	C(CCC)(CCN)2	119.1367	0.455	4	119.1367	0.207	4	119.1367	0.207	4	122.7516	10.944	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:3:3:	C-3:C-3:C-3:	N[5]-3:C-4:C-3:	C-3:C-3:C-3:	C(CN[5]C)(CCC)(COO)	C(N[5]C[5]2)(CCHH)(CCC)	C(CCC)(CCH)(COO)	C(CN[5]C)(CCC)(COO)	C(N[5]C[5]2)(CCHH)(CCC)	C(CCC)(CCH)(COO)	123.6080	0.000	1	123.6080	0.000	1	123.6080	0.000	1	122.7516	10.944	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:3:3:	C-3:C-3:C-3:	N[6]-3:C-4:C-3:	C-3:C-3:C-3:	C(CN[6]C)(CCC)(COO)	C(N[6]C[6]2)(CCHH)(CCC)	C(CCC)(CCH)(COO)	C(CN[6]C)(CCC)(COO)	C(N[6]C[6]2)(CCHH)(CCC)	C(CCC)(CCH)(COO)	120.9290	0.000	1	120.9290	0.000	1	120.9290	0.000	1	122.7516	10.944	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:B-4:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(BC[6a]NO)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(BC[6a]NO)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)2	123.8800	0.793	2	123.8800	0.629	2	123.8800	0.629	2	122.7516	10.944	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-4:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]2C)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]2C)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	128.6580	0.000	1	128.6580	0.000	1	124.0551	9.769	9	122.7516	10.944	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-4:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]2O)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]2O)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	125.3360	0.000	1	125.3360	0.000	1	124.0551	9.769	9	122.7516	10.944	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-4:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]HN)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	123.7482	3.367	5	123.7482	11.335	5	124.0551	9.769	9	122.7516	10.944	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C-4:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]HO)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]HO)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	121.8805	0.240	2	121.8805	0.057	2	124.0551	9.769	9	122.7516	10.944	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:3:3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6]-4:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]C[6])(CC[6a]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[6])(CC[6a]C)	C(C[6a]C[6a]2)(C[6]C[6]2H)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	122.8210	0.000	1	122.8210	0.000	1	122.8210	0.000	1	122.7516	10.944	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:4:2:	N[5]-3:C-3:C-3:	C-3:C-4:N-3:	C-3:C-4:N-2:	C(N[5]C[5]2)(CCN)2	C(CN[5]C)(CH3)(NCH)	C(CN[5]C)(CH3)(NC)	C(N[5]C[5]2)(CCN)2	C(CN[5]C)(CH3)(NCH)	C(CN[5]C)(CH3)(NC)	125.3790	0.000	1	125.3790	0.000	1	125.3790	0.000	1	125.3790	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:4:3:	C-3:C-3:C-3:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CCN)2(COO)	C(NC[6a]Ni)(CH3)(CCC)	C(NC[6a]Ni)(CH3)(CCC)	C(CCN)2(COO)	C(NC[6a]Ni)(CH3)(CCC)	C(NC[6a]Ni)(CH3)(CCC)	126.2435	0.202	2	126.2435	0.041	2	126.2435	0.041	2	125.4473	1.922	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	3:4:3:	P-3:C-3:C-3:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(PC[6a]2)(CCN)2	C(NC[6a]Al)(CH3)(CCP)	C(NC[6a]Al)(CH3)(CCP)	C(PC[6a]2)(CCN)2	C(NC[6a]Al)(CH3)(CCP)	C(NC[6a]Al)(CH3)(CCP)	123.8550	0.000	1	123.8550	0.000	1	123.8550	0.000	1	125.4473	1.922	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	4:3:1:	C-3:C-3:C-3:	N-3:C-4:C-3:	C-4:C-3:O-1:	C(CCN)(CCO)(CHN)	C(NC[6]Ni)(CH3)(CCC)	C(CH3)(CCC)(O)	C(CCN)(CCO)(CHN)	C(NC[6]Ni)(CH3)(CCC)	C(CH3)(CCC)(O)	122.9783	2.223	4	122.9783	4.944	4	120.5061	7.336	14	120.5202	6.815	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	4:3:1:	C-3:C-3:C-3:	N-3:C-4:C-3:	C-4:C-3:O-1:	C(CCN)(CCO)(CHN)	C(NNiC)(CH3)(CCC)	C(CH3)(CCC)(O)	C(CCN)(CCO)(CHN)	C(NNiC)(CH3)(CCC)	C(CH3)(CCC)(O)	122.1335	0.098	2	122.1335	0.010	2	120.5061	7.336	14	120.5202	6.815	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	4:3:1:	C-3:C-3:C-3:	N-3:C-4:C-3:	C-4:C-3:O-1:	C(CCN)(CCO)(CNO)	C(NC[6a]H)(CCHH)(CCC)	C(CCHH)(CCC)(O)	C(CCN)(CCO)(CNO)	C(NC[6a]H)(CCHH)(CCC)	C(CCHH)(CCC)(O)	122.2620	0.000	1	122.2620	0.000	1	120.5061	7.336	14	120.5202	6.815	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	4:3:1:	C-3:C-3:C-3:	N-3:C-4:C-3:	C-4:C-3:O-1:	C(CCN)(CCO)2	C(NC[6a]H)(CH3)(CCC)	C(CF3)(CCC)(O)	C(CCN)(CCO)2	C(NC[6a]H)(CH3)(CCC)	C(CF3)(CCC)(O)	118.5140	2.290	4	118.5140	5.244	4	120.5061	7.336	14	120.5202	6.815	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	4:3:1:	C-3:C-3:C-3:	N-3:C-4:C-3:	C-4:C-3:O-1:	C(CCN)(CCO)2	C(NC[6a]Ni)(CH3)(CCC)	C(CF3)(CCC)(O)	C(CCN)(CCO)2	C(NC[6a]Ni)(CH3)(CCC)	C(CF3)(CCC)(O)	117.9550	0.000	1	117.9550	0.000	1	120.5061	7.336	14	120.5202	6.815	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	4:3:1:	C-3:C-3:C-3:	N-3:C-4:C-3:	C-4:C-3:O-1:	C(CCN)(CCO)2	C(NC[6a]Ru)(CH3)(CCC)	C(CH3)(CCC)(O)	C(CCN)(CCO)2	C(NC[6a]Ru)(CH3)(CCC)	C(CH3)(CCC)(O)	118.3165	0.013	2	118.3165	0.000	2	120.5061	7.336	14	120.5202	6.815	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	4:3:1:	O-3:C-3:C-3:	N-3:C-4:C-3:	C-4:C-3:H-1:	C(OZn2)(CCH)(CCN)	C(NC[6a]Zn)(CH3)(CCO)	C(CCCO)(CCO)(H)	C(OZn2)(CCH)(CCN)	C(NC[6a]Zn)(CH3)(CCO)	C(CCCO)(CCO)(H)	120.7170	0.000	1	120.7170	0.000	1	120.7170	0.000	1	120.5202	6.815	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	4:3:2:	C-3:C-3:C-3:	N-3:C-4:C-3:	C-4:C-3:N-2:	C(CCN)2(CHN)	C(NNiC)(CH3)(CCC)	C(CH3)(CCC)(NC)	C(CCN)2(CHN)	C(NNiC)(CH3)(CCC)	C(CH3)(CCC)(NC)	121.0460	0.000	1	121.0460	0.000	1	121.7700	1.048	2	122.4398	5.389	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	4:3:2:	C-3:C-3:C-3:	N-3:C-4:C-3:	C-4:C-3:N-2:	C(CCN)2(CHN)	C(NNiC)(CH3)(CCC)	C(CH3)(CCC)(NH)	C(CCN)2(CHN)	C(NNiC)(CH3)(CCC)	C(CH3)(CCC)(NH)	122.4940	0.000	1	122.4940	0.000	1	121.7700	1.048	2	122.4398	5.389	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	4:3:2:	C-3:C-3:C-3:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)2	C(NC[6a]Ni)(CH3)(CCC)	C(CF3)(CCC)(ONi)	C(CCN)(CCO)2	C(NC[6a]Ni)(CH3)(CCC)	C(CF3)(CCC)(ONi)	119.8610	0.000	1	119.8610	0.000	1	122.8863	9.505	3	122.4398	5.389	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	4:3:2:	C-3:C-3:C-3:	N-3:C-4:C-3:	C-4:C-3:O-2:	C(CCN)(CCO)2	C(NC[6a]Ru)(CH3)(CCC)	C(CH3)(CCC)(ORu)	C(CCN)(CCO)2	C(NC[6a]Ru)(CH3)(CCC)	C(CH3)(CCC)(ORu)	124.3990	2.298	2	124.3990	5.281	2	122.8863	9.505	3	122.4398	5.389	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:3:	4:3:3:	C-3:C-3:C-3:	N-3:C-4:C-3:	C-4:C-3:N-3:	C(CCN)2(CHN)	C(NNiC)(CH3)(CCC)	C(CH3)(CCC)(NCH)	C(CCN)2(CHN)	C(NNiC)(CH3)(CCC)	C(CH3)(CCC)(NCH)	122.3523	0.061	3	122.3523	0.004	3	122.3523	0.004	3	122.3523	0.004	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:4:	3:2:1:	C[6a]-3:C-3:C-3:	C-3:C-4:C-4:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CCC)(COO)	C(CC[6a]C)(CHNP)(CH3)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CCC)(COO)	C(CC[6a]C)(CHNP)(CH3)	C(CC[6a]C)(OC)(O)	119.2710	0.000	1	119.2710	0.000	1	119.2710	0.000	1	119.2710	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:4:	3:3:4:	C[6a]-3:C-3:C-3:	C-3:C-4:C-4:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CCC)2	C(CC[6a]C)(CH3)2	C(CC[6a]C)2(CH3)	C(C[6a]C[6a]2)(CCC)2	C(CC[6a]C)(CH3)2	C(CC[6a]C)2(CH3)	120.9890	0.000	1	120.9890	0.000	1	120.9890	0.000	1	120.9890	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	3:4:4:	3:4:4:	C[5]-3:C-3:C-3:	C-3:C-4:C-4:	C-3:C-4:C-4:	C(C[5]N[5]2)(CCC)2	C(CC[5]C)(CF3)2	C(CC[5]C)(CF3)2	C(C[5]N[5]2)(CCC)2	C(CC[5]C)(CF3)2	C(CC[5]C)(CF3)2	128.2960	0.000	1	128.2960	0.000	1	128.2960	0.000	1	128.2960	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:1:1:	C-3:C-3:C-3:	C-4:C-3:O-1:	C-3:H-1:H-1:	C(CC[6a]C)(CCO)(CHH)	C(CH3)(CCC)(O)	C(CCC)(H)2	C(CC[6a]C)(CCO)(CHH)	C(CH3)(CCC)(O)	C(CCC)(H)2	121.7195	0.831	2	121.7195	0.690	2	121.7195	0.690	2	121.7195	0.690	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:2:1:	C-3:C-3:C-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCC)(CCH)(COO)	C(CCHH)(CCC)(H)	C(CCC)(OC)(O)	C(CCC)(CCH)(COO)	C(CCHH)(CCC)(H)	C(CCC)(OC)(O)	119.0315	0.460	2	119.0315	0.212	2	118.9790	0.895	7	118.9959	13.691	37	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:2:1:	C-3:C-3:C-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCC)(CCH)(COO)	C(CN[5]HH)(CCC)(H)	C(CCC)(OC)(O)	C(CCC)(CCH)(COO)	C(CN[5]HH)(CCC)(H)	C(CCC)(OC)(O)	119.4190	0.000	1	119.4190	0.000	1	118.9790	0.895	7	118.9959	13.691	37	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:2:1:	C-3:C-3:C-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCH)2(COO)	C(CCHH)(CCC)(H)	C(CCC)(OC)(O)	C(CCH)2(COO)	C(CCHH)(CCC)(H)	C(CCC)(OC)(O)	119.8135	0.896	2	119.8135	0.803	2	118.9790	0.895	7	118.9959	13.691	37	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:2:1:	C-3:C-3:C-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCH)2(COO)	C(CH3)(CCC)(H)	C(CCC)(OC)(O)	C(CCH)2(COO)	C(CH3)(CCC)(H)	C(CCC)(OC)(O)	118.2690	0.000	1	118.2690	0.000	1	118.9790	0.895	7	118.9959	13.691	37	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:2:1:	C-3:C-3:C-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]C)(CCH)(COO)	C(CCHH)(CCC)(H)	C(CCC)(OH)(O)	C(CC[6a]C)(CCH)(COO)	C(CCHH)(CCC)(H)	C(CCC)(OH)(O)	117.4750	0.000	1	117.4750	0.000	1	118.9790	0.895	7	118.9959	13.691	37	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:2:1:	C-3:C-3:C-3:	C-4:C-3:O-1:	C-3:O-2:O-1:	C(CCN)(CCO)(COO)	C(CH3)(CCC)(O)	C(CCC)(OC)(O)	C(CCN)(CCO)(COO)	C(CH3)(CCC)(O)	C(CCC)(OC)(O)	121.3110	0.000	1	121.3110	0.000	1	118.0472	16.490	20	118.9959	13.691	37	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:2:1:	C-3:C-3:C-3:	C-4:C-3:O-1:	C-3:O-2:O-1:	C(CCO)(CHN)(COO)	C(CH3)(CCC)(O)	C(CCC)(OC)(O)	C(CCO)(CHN)(COO)	C(CH3)(CCC)(O)	C(CCC)(OC)(O)	121.7601	0.371	7	121.7601	0.138	7	118.0472	16.490	20	118.9959	13.691	37	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:2:1:	C-3:C-3:C-3:	C-4:C-3:O-1:	C-3:O-2:O-1:	C(CCO)2(COO)	C(CH3)(CCC)(O)	C(CCC)(OC)(O)	C(CCO)2(COO)	C(CH3)(CCC)(O)	C(CCC)(OC)(O)	119.5843	1.224	3	119.5843	1.497	3	118.0472	16.490	20	118.9959	13.691	37	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:2:1:	C-3:C-3:C-3:	C-4:C-3:O-1:	C-3:O-2:O-1:	C(CC[3,5]H)(CCO)(COO)	C(CH3)(CCC)(O)	C(CCC)(OC)(O)	C(CC[3,5]H)(CCO)(COO)	C(CH3)(CCC)(O)	C(CCC)(OC)(O)	113.3800	0.000	1	113.3800	0.000	1	118.0472	16.490	20	118.9959	13.691	37	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:2:1:	C-3:C-3:C-3:	C-4:C-3:O-1:	C-3:O-2:O-1:	C(CC[6a]H)(CCO)(COO)	C(CClHH)(CCC)(O)	C(CCC)(OC)(O)	C(CC[6a]H)(CCO)(COO)	C(CClHH)(CCC)(O)	C(CCC)(OC)(O)	111.1410	0.000	1	111.1410	0.000	1	118.0472	16.490	20	118.9959	13.691	37	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:2:1:	C-3:C-3:C-3:	C-4:C-3:O-1:	C-3:O-2:O-1:	C(CC[6a]H)(CCO)(COO)	C(CH3)(CCC)(O)	C(CCC)(OC)(O)	C(CC[6a]H)(CCO)(COO)	C(CH3)(CCC)(O)	C(CCC)(OC)(O)	113.1088	0.342	5	113.1088	0.117	5	118.0472	16.490	20	118.9959	13.691	37	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:2:1:	C-3:C-3:C-3:	C-4:C-3:O-1:	C-3:O-2:O-1:	C(CC[6a]N)(CCO)(COO)	C(CH3)(CCC)(O)	C(CCC)(OC)(O)	C(CC[6a]N)(CCO)(COO)	C(CH3)(CCC)(O)	C(CCC)(OC)(O)	119.2470	0.697	2	119.2470	0.486	2	118.0472	16.490	20	118.9959	13.691	37	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:2:1:	C-3:C-3:C-3:	C[3,5]-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[3,5]H)(CCO)(COO)	C(C[3,5]C[3,5]C[3]C[5])(CCC)(H)	C(CCC)(OC)(O)	C(CC[3,5]H)(CCO)(COO)	C(C[3,5]C[3,5]C[3]C[5])(CCC)(H)	C(CCC)(OC)(O)	123.2110	0.000	1	123.2110	0.000	1	123.2110	0.000	1	118.9959	13.691	37	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:2:1:	C-3:C-3:N-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(NCS)	C(CCHH)(CCN)(H)	C(CCN)(OC)(O)	C(CCH)(COO)(NCS)	C(CCHH)(CCN)(H)	C(CCN)(OC)(O)	118.7380	0.000	1	118.7380	0.000	1	121.3193	5.647	3	118.9959	13.691	37	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:2:1:	C-3:C-3:N-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCH)(COO)(NHS)	C(CC[6a]CH)(CCN)(H)	C(CCN)(OC)(O)	C(CCH)(COO)(NHS)	C(CC[6a]CH)(CCN)(H)	C(CCN)(OC)(O)	122.6100	1.140	2	122.6100	1.299	2	121.3193	5.647	3	118.9959	13.691	37	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:2:1:	C-3:C-3:N-3:	C-4:C-3:O-1:	C-3:O-2:O-1:	C(CCO)(COO)(NNO)	C(CH3)(CCN)(O)	C(CCN)(OC)(O)	C(CCO)(COO)(NNO)	C(CH3)(CCN)(O)	C(CCN)(OC)(O)	125.5720	0.000	1	125.5720	0.000	1	125.5720	0.000	1	118.9959	13.691	37	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:2:1:	C-3:C-3:N-3:	C[5]-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[5]H)(COO)(NCH)	C(C[5]C[5]N[5]H)(CCN)(H)	C(CCN)(OC)(O)	C(CC[5]H)(COO)(NCH)	C(C[5]C[5]N[5]H)(CCN)(H)	C(CCN)(OC)(O)	119.7750	0.000	1	119.7750	0.000	1	119.7750	0.000	1	118.9959	13.691	37	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:2:1:	C[6a]-3:C-3:C-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CCH)(COO)	C(CC[6a]CO)(CC[6a]C)(H)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CCH)(COO)	C(CC[6a]CO)(CC[6a]C)(H)	C(CC[6a]C)(OC)(O)	115.4305	0.216	2	115.4305	0.047	2	115.4305	0.047	2	118.9959	13.691	37	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:2:1:	C[6a]-3:C-3:C-3:	C[3,5]-4:C-3:H-1:	C-3:O-2:O-1:	C(C[6a]C[6a]2)(CC[3,5]H)(COO)	C(C[3,5]C[3,5]C[3]C[5])(CC[6a]C)(H)	C(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(CC[3,5]H)(COO)	C(C[3,5]C[3,5]C[3]C[5])(CC[6a]C)(H)	C(CC[6a]C)(OC)(O)	125.2980	0.000	1	125.2980	0.000	1	125.2980	0.000	1	118.9959	13.691	37	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:2:1:	N-3:C-3:C-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(NC[6a]H)(CCH)(COO)	C(CC[6a]CH)(CCN)(H)	C(CCN)(OC)(O)	C(NC[6a]H)(CCH)(COO)	C(CC[6a]CH)(CCN)(H)	C(CCN)(OC)(O)	120.3760	0.000	1	120.3760	0.000	1	120.3760	0.000	1	118.9959	13.691	37	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:2:2:	C-3:C-3:C-3:	C-4:C-3:O-1:	C-3:S-2:S-2:	C(CCO)2(CSS)	C(CH3)(CCC)(O)	C(CCC)(SAu)2	C(CCO)2(CSS)	C(CH3)(CCC)(O)	C(CCC)(SAu)2	115.9750	0.349	4	115.9750	0.122	4	119.9865	17.354	12	119.9865	17.354	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:2:2:	C-3:C-3:C-3:	C-4:C-3:O-1:	C-3:S-2:S-2:	C(CCO)2(CSS)	C(CH3)(CCC)(O)	C(CCC)(SNi)2	C(CCO)2(CSS)	C(CH3)(CCC)(O)	C(CCC)(SNi)2	122.9530	7.198	2	122.9530	51.816	2	119.9865	17.354	12	119.9865	17.354	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:2:2:	C-3:C-3:C-3:	C-4:C-3:O-1:	C-3:S-2:S-2:	C(CCO)2(CSS)	C(CH3)(CCC)(O)	C(CCC)(SPd)2	C(CCO)2(CSS)	C(CH3)(CCC)(O)	C(CCC)(SPd)2	120.9740	0.406	2	120.9740	0.165	2	119.9865	17.354	12	119.9865	17.354	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:2:2:	C-3:C-3:C-3:	C-4:C-3:O-1:	C-3:S-2:S-2:	C(CCO)2(CSS)	C(CH3)(CCC)(O)	C(CCC)(SPt)2	C(CCO)2(CSS)	C(CH3)(CCC)(O)	C(CCC)(SPt)2	122.0210	3.562	4	122.0210	12.689	4	119.9865	17.354	12	119.9865	17.354	12	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:3:1:	C-3:C-3:C-3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCH)2(COO)	C(CCHH)(CCC)(H)	C(CCC)(CCN)(H)	C(CCH)2(COO)	C(CCHH)(CCC)(H)	C(CCC)(CCN)(H)	127.5010	0.000	1	127.5010	0.000	1	127.5010	0.000	1	120.6612	15.896	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:3:1:	C-3:C-3:C-3:	C-4:C-3:O-1:	C-3:C-3:H-1:	C(CC[5a]H)(CCH)(CCO)	C(CH3)(CCC)(O)	C(CCC)2(H)	C(CC[5a]H)(CCH)(CCO)	C(CH3)(CCC)(O)	C(CCC)2(H)	114.6120	0.168	2	114.6120	0.028	2	114.6120	0.028	2	120.6612	15.896	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:3:1:	C-3:C-3:C-3:	C-4:C-3:O-1:	C-3:N-3:O-1:	C(CCN)(CCO)(CNO)	C(CCHH)(CCC)(O)	C(CCC)(NCC)(O)	C(CCN)(CCO)(CNO)	C(CCHH)(CCC)(O)	C(CCC)(NCC)(O)	118.1990	0.000	1	118.1990	0.000	1	118.1990	0.000	1	120.6612	15.896	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:3:1:	C-3:C-3:C-3:	C[5]-4:C-3:O-1:	C-3:C-3:H-1:	C(CC[5]O)(CCoH)(CCH)	C(C[5]C[5]2Fe)(CCC)(O)	C(CCC)(CCS)(H)	C(CC[5]O)(CCoH)(CCH)	C(C[5]C[5]2Fe)(CCC)(O)	C(CCC)(CCS)(H)	116.0740	0.000	1	116.0740	0.000	1	116.0740	0.000	1	120.6612	15.896	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:3:1:	C-3:C-3:N-3:	C-4:C-3:H-1:	C-3:N-3:O-1:	C(CCH)(CNO)(NCH)	C(CCCH)(CCN)(H)	C(CCN)(NCH)(O)	C(CCH)(CNO)(NCH)	C(CCCH)(CCN)(H)	C(CCN)(NCH)(O)	120.9480	0.000	1	120.9480	0.000	1	120.9480	0.000	1	120.6612	15.896	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:3:1:	C-3:C-3:N-3:	C-4:C-3:O-1:	C-3:C-3:H-1:	C(CCH)(CCO)(NCS)	C(CCHH)(CCN)(O)	C(CCN)(COO)(H)	C(CCH)(CCO)(NCS)	C(CCHH)(CCN)(O)	C(CCN)(COO)(H)	121.0850	0.000	1	121.0850	0.000	1	121.0850	0.000	1	120.6612	15.896	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:3:1:	C-3:C-3:N-3:	S-4:C-3:H-1:	C-3:C-3:F-1:	C(CCF)(CHS)(NCH)	C(SC[6a]OO)(CCN)(H)	C(CCC)(CCN)(F)	C(CCF)(CHS)(NCH)	C(SC[6a]OO)(CCN)(H)	C(CCC)(CCN)(F)	117.6030	0.000	1	117.6030	0.000	1	117.6030	0.000	1	120.6612	15.896	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CCH)2	C(CC[6a]CH)(CC[6a]C)(H)	C(CC[6a]C)(CC[6a]N)(H)	C(C[6a]C[6a]2)(CCH)2	C(CC[6a]CH)(CC[6a]C)(H)	C(CC[6a]C)(CC[6a]N)(H)	127.3100	0.000	1	127.3100	0.000	1	127.3100	0.000	1	120.6612	15.896	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	C-4:C-3:H-1:	C-3:N-3:O-1:	C(C[6a]C[6a]2)(CCH)(CNO)	C(CC[6a]HH)(CC[6a]C)(H)	C(CC[6a]C)(NCC)(O)	C(C[6a]C[6a]2)(CCH)(CNO)	C(CC[6a]HH)(CC[6a]C)(H)	C(CC[6a]C)(NCC)(O)	117.7990	0.000	1	117.7990	0.000	1	117.7990	0.000	1	120.6612	15.896	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	C-4:C-3:O-1:	C-3:N-3:H-1:	C(C[6a]C[6a]2)(CCO)(CHN)	C(CC[6a]HH)(CC[6a]C)(O)	C(CC[6a]C)(NCH)(H)	C(C[6a]C[6a]2)(CCO)(CHN)	C(CC[6a]HH)(CC[6a]C)(O)	C(CC[6a]C)(NCH)(H)	120.2000	0.105	2	120.2000	0.011	2	120.2000	0.011	2	120.6612	15.896	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(CCH)	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]C)(H)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(CCH)	C(C[5]C[5,6a]C[6a]C[5])(CC[6a]C)(H)	C(CC[6a]C)(CCH)(H)	116.9400	0.000	1	116.9400	0.000	1	119.8730	17.205	2	120.6612	15.896	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	C[5]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[5]H)(CCH)	C(C[5]C[5]2H)(CC[6a]C)(H)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[5]H)(CCH)	C(C[5]C[5]2H)(CC[6a]C)(H)	C(CC[6a]C)(CCH)(H)	122.8060	0.000	1	122.8060	0.000	1	119.8730	17.205	2	120.6612	15.896	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	P[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CP[6]H)(CCH)	C(P[6]O[6]2O)(CC[6a]C)(H)	C(CC[6a]C)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CP[6]H)(CCH)	C(P[6]O[6]2O)(CC[6a]C)(H)	C(CC[6a]C)(CC[6a]H)(H)	124.4220	0.000	1	124.4220	0.000	1	122.8730	4.799	2	120.6612	15.896	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:3:1:	C[6a]-3:C-3:C-3:	P[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CP[6]H)(CCH)	C(P[6]O[6]2O)(CC[6a]C)(H)	C(CC[6a]C)(CHH)(H)	C(C[6a]C[6a]2)(CP[6]H)(CCH)	C(P[6]O[6]2O)(CC[6a]C)(H)	C(CC[6a]C)(CHH)(H)	121.3240	0.000	1	121.3240	0.000	1	122.8730	4.799	2	120.6612	15.896	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:3:1:	N[5a]-3:C-3:C-3:	C[5]-4:C-3:H-1:	C[6a]-3:C-3:O-1:	C(N[5a]C[5a]N[5a])(CC[6a]O)(CC[5]H)	C(C[5]C[5]2Fe)(CN[5a]C)(H)	C(C[6a]C[6a]2)(CN[5a]C)(O)	C(N[5a]C[5a]N[5a])(CC[6a]O)(CC[5]H)	C(C[5]C[5]2Fe)(CN[5a]C)(H)	C(C[6a]C[6a]2)(CN[5a]C)(O)	121.6950	0.000	1	121.6950	0.000	1	121.6950	0.000	1	120.6612	15.896	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:3:1:	S-3:C-3:C-3:	C[5]-4:C-3:O-1:	C-3:C-3:H-1:	C(SC[5x3,5x5,20x6]Co)(CC[5]O)(CCH)	C(C[5]C[5]2Fe)(CCS)(O)	C(CCC)(CCS)(H)	C(SC[5x3,5x5,20x6]Co)(CC[5]O)(CCH)	C(C[5]C[5]2Fe)(CCS)(O)	C(CCC)(CCS)(H)	126.9820	0.000	1	126.9820	0.000	1	124.6165	11.191	2	120.6612	15.896	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:3:1:	S-3:C-3:C-3:	C[5]-4:C-3:O-1:	C-3:C-3:H-1:	C(SC[5x3,5x5,20x6]Co)(CC[5]O)(CCH)	C(C[5]C[5]2Fe)(CCS)(O)	C(CCH)(CCS)(H)	C(SC[5x3,5x5,20x6]Co)(CC[5]O)(CCH)	C(C[5]C[5]2Fe)(CCS)(O)	C(CCH)(CCS)(H)	122.2510	0.000	1	122.2510	0.000	1	124.6165	11.191	2	120.6612	15.896	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:3:2:	C-3:C-3:C-3:	C-4:C-3:O-1:	C-3:C-3:O-2:	C(CC[6,6]O)(CCO)2	C(CH3)(CCC)(O)	C(CCC)2(OH)	C(CC[6,6]O)(CCO)2	C(CH3)(CCC)(O)	C(CCC)2(OH)	117.9860	0.000	1	117.9860	0.000	1	118.4625	0.454	2	118.4625	0.454	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:3:2:	C-3:C-3:C-3:	C-4:C-3:O-1:	C-3:C-3:O-2:	C(CC[6]O)(CCO)2	C(CH3)(CCC)(O)	C(CCC)2(OH)	C(CC[6]O)(CCO)2	C(CH3)(CCC)(O)	C(CCC)2(OH)	118.9390	0.000	1	118.9390	0.000	1	118.4625	0.454	2	118.4625	0.454	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:3:3:	C-3:C-3:C-3:	C-4:C-3:O-1:	C-3:C-3:C-3:	C(CCC)(CCO)2	C(CH3)(CCC)(O)	C(CCC)(CCO)2	C(CCC)(CCO)2	C(CH3)(CCC)(O)	C(CCC)(CCO)2	120.5010	0.000	1	120.5010	0.000	1	120.5010	0.000	1	121.5025	0.890	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:3:3:	C-3:C-3:C-3:	P[6]-4:C-3:H-1:	C-3:C-3:C-3:	C(CP[6]H)(CCC)2	C(P[6]O[6]2O)(CCC)(H)	C(CCC)(CCH)(COO)	C(CP[6]H)(CCC)2	C(P[6]O[6]2O)(CCC)(H)	C(CCC)(CCH)(COO)	120.5270	0.000	1	120.5270	0.000	1	120.5270	0.000	1	121.5025	0.890	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:3:3:	C[6a]-3:C-3:C-3:	C-4:C-3:H-1:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]2H)(CC[6a]C)(H)	C(CC[6a]C)(CCN)(COO)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]2H)(CC[6a]C)(H)	C(CC[6a]C)(CCN)(COO)	120.9660	0.000	1	120.9660	0.000	1	121.9967	0.505	4	121.5025	0.890	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:3:3:	C[6a]-3:C-3:C-3:	C-4:C-3:H-1:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]HH)(CC[6a]C)(H)	C(CC[6a]C)(CCC)(COO)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]HH)(CC[6a]C)(H)	C(CC[6a]C)(CCC)(COO)	122.5890	0.000	1	122.5890	0.000	1	121.9967	0.505	4	121.5025	0.890	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:3:3:	C[6a]-3:C-3:C-3:	C-4:C-3:H-1:	C-3:C-3:C-3:	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]HH)(CC[6a]C)(H)	C(CC[6a]C)(CCO)2	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]HH)(CC[6a]C)(H)	C(CC[6a]C)(CCO)2	122.2160	0.081	2	122.2160	0.006	2	121.9967	0.505	4	121.5025	0.890	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:3:4:	C[6a]-3:C-3:C-3:	P[6]-4:C-3:H-1:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(CP[6]H)(CCC)	C(P[6]O[6]2O)(CC[6a]C)(H)	C(CC[6a]C)(CC[6a]H)(CH3)	C(C[6a]C[6a]2)(CP[6]H)(CCC)	C(P[6]O[6]2O)(CC[6a]C)(H)	C(CC[6a]C)(CC[6a]H)(CH3)	122.6220	0.000	1	122.6220	0.000	1	122.6220	0.000	1	122.6220	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	3:4:3:	C[6a]-3:C-3:C-3:	P[6]-4:C-3:H-1:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CP[6]H)(CCC)	C(P[6]O[6]2O)(CC[6a]C)(H)	C(CC[6a]C)(CH3)(CHH)	C(C[6a]C[6a]2)(CP[6]H)(CCC)	C(P[6]O[6]2O)(CC[6a]C)(H)	C(CC[6a]C)(CH3)(CHH)	121.3720	0.000	1	121.3720	0.000	1	121.3720	0.000	1	121.3720	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	4:3:1:	C-3:C-3:C-3:	C-4:C-3:O-1:	C-4:C-3:O-1:	C(CCH)(CCO)2	C(CH3)(CCC)(O)	C(CH3)(CCC)(O)	C(CCH)(CCO)2	C(CH3)(CCC)(O)	C(CH3)(CCC)(O)	114.9955	1.846	4	114.9955	3.408	4	118.3831	24.524	26	118.6867	23.976	28	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	4:3:1:	C-3:C-3:C-3:	C-4:C-3:O-1:	C-4:C-3:O-1:	C(CCN)(CCO)2	C(CF3)(CCC)(O)	C(CF3)(CCC)(O)	C(CCN)(CCO)2	C(CF3)(CCC)(O)	C(CF3)(CCC)(O)	122.9500	0.184	2	122.9500	0.034	2	118.3831	24.524	26	118.6867	23.976	28	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	4:3:1:	C-3:C-3:C-3:	C-4:C-3:O-1:	C-4:C-3:O-1:	C(CCO)2(CHN)	C(CH3)(CCC)(O)	C(CH3)(CCC)(O)	C(CCO)2(CHN)	C(CH3)(CCC)(O)	C(CH3)(CCC)(O)	122.9398	0.617	6	122.9398	0.380	6	118.3831	24.524	26	118.6867	23.976	28	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	4:3:1:	C-3:C-3:C-3:	C-4:C-3:O-1:	C-4:C-3:O-1:	C(CCO)2(CSS)	C(CH3)(CCC)(O)	C(CH3)(CCC)(O)	C(CCO)2(CSS)	C(CH3)(CCC)(O)	C(CH3)(CCC)(O)	119.9937	6.523	6	119.9937	42.549	6	118.3831	24.524	26	118.6867	23.976	28	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	4:3:1:	C-3:C-3:C-3:	C-4:C-3:O-1:	C-4:C-3:O-1:	C(CC[6a]C)(CCO)2	C(CH3)(CCC)(O)	C(CH3)(CCC)(O)	C(CC[6a]C)(CCO)2	C(CH3)(CCC)(O)	C(CH3)(CCC)(O)	114.2780	0.000	1	114.2780	0.000	1	118.3831	24.524	26	118.6867	23.976	28	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	4:3:1:	C-3:C-3:C-3:	C-4:C-3:O-1:	C-4:C-3:O-1:	C(CC[6a]H)(CCO)2	C(CH3)(CCC)(O)	C(CH3)(CCC)(O)	C(CC[6a]H)(CCO)2	C(CH3)(CCC)(O)	C(CH3)(CCC)(O)	113.6287	1.261	6	113.6287	1.591	6	118.3831	24.524	26	118.6867	23.976	28	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	4:3:1:	C-3:C-3:C-3:	C-4:C-3:O-1:	C-4:C-3:O-1:	C(CC[6a]N)(CCO)2	C(CH3)(CCC)(O)	C(CH3)(CCC)(O)	C(CC[6a]N)(CCO)2	C(CH3)(CCC)(O)	C(CH3)(CCC)(O)	118.4280	0.000	1	118.4280	0.000	1	118.3831	24.524	26	118.6867	23.976	28	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	4:3:1:	C-3:C-3:C-3:	C[3,5]-4:C-3:H-1:	C-4:C-3:O-1:	C(CC[3,5]H)(CCO)(COO)	C(C[3,5]C[3,5]C[3]C[5])(CCC)(H)	C(CH3)(CCC)(O)	C(CC[3,5]H)(CCO)(COO)	C(C[3,5]C[3,5]C[3]C[5])(CCC)(H)	C(CH3)(CCC)(O)	123.2180	0.000	1	123.2180	0.000	1	123.2180	0.000	1	118.6867	23.976	28	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	4:3:1:	N-3:C-3:C-3:	C-4:C-3:O-1:	P-4:C-3:O-1:	C(NC[6a]C)(CCO)(COP)	C(CF3)(CCN)(O)	C(PC3)(CCN)(O)	C(NC[6a]C)(CCO)(COP)	C(CF3)(CCN)(O)	C(PC3)(CCN)(O)	122.0490	0.000	1	122.0490	0.000	1	122.0490	0.000	1	118.6867	23.976	28	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	4:3:3:	C-3:C-3:C-3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C(CCC)(CCH)(COO)	C(CN[5]HH)(CCC)(H)	C(CH3)(CCC)2	C(CCC)(CCH)(COO)	C(CN[5]HH)(CCC)(H)	C(CH3)(CCC)2	127.1090	0.000	1	127.1090	0.000	1	127.1090	0.000	1	124.5545	13.051	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:1:	4:3:3:	C-3:C-3:C-3:	P[6]-4:C-3:H-1:	C-4:C-3:C-3:	C(CP[6]H)(CCC)2	C(P[6]O[6]2O)(CCC)(H)	C(CH3)(CCC)(CHH)	C(CP[6]H)(CCC)2	C(P[6]O[6]2O)(CCC)(H)	C(CH3)(CCC)(CHH)	122.0000	0.000	1	122.0000	0.000	1	122.0000	0.000	1	124.5545	13.051	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	3:1:1:	C[6a]-3:C-3:C-3:	P-4:C-3:C-2:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(CCP)(CHH)	C(PC[6a]3)(CC[6a]C)(CC)	C(CC[6a]C)(H)2	C(C[6a]C[6a]2)(CCP)(CHH)	C(PC[6a]3)(CC[6a]C)(CC)	C(CC[6a]C)(H)2	125.0880	0.000	1	125.0880	0.000	1	125.0880	0.000	1	125.0880	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	3:2:1:	C-3:C-3:C-3:	C-4:C-3:O-2:	C-3:N-2:O-1:	C(CCO)(CNO)(COO)	C(CH3)(CCC)(OH)	C(CCC)(NC)(O)	C(CCO)(CNO)(COO)	C(CH3)(CCC)(OH)	C(CCC)(NC)(O)	117.3650	0.788	2	117.3650	0.620	2	117.3650	0.620	2	121.6055	7.866	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	3:2:1:	C-3:C-3:C-3:	C-4:C-3:O-2:	C-3:O-2:O-1:	C(CCO)(CHN)(COO)	C(CH3)(CCC)(OFe)	C(CCC)(OC)(O)	C(CCO)(CHN)(COO)	C(CH3)(CCC)(OFe)	C(CCC)(OC)(O)	121.9128	3.069	6	121.9128	9.418	6	122.3617	5.936	11	121.6055	7.866	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	3:2:1:	C-3:C-3:C-3:	C-4:C-3:O-2:	C-3:O-2:O-1:	C(CCO)(CNO)(COO)	C(CCHH)(CCC)(OH)	C(CCC)(OC)(O)	C(CCO)(CNO)(COO)	C(CCHH)(CCC)(OH)	C(CCC)(OC)(O)	123.2400	0.000	1	123.2400	0.000	1	122.3617	5.936	11	121.6055	7.866	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	3:2:1:	C-3:C-3:C-3:	C-4:C-3:O-2:	C-3:O-2:O-1:	C(CCO)(CNO)(COO)	C(CH3)(CCC)(OH)	C(CCC)(OC)(O)	C(CCO)(CNO)(COO)	C(CH3)(CCC)(OH)	C(CCC)(OC)(O)	123.6903	0.374	3	123.6903	0.140	3	122.3617	5.936	11	121.6055	7.866	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	3:2:1:	C-3:C-3:C-3:	C-4:C-3:O-2:	C-3:O-2:O-1:	C(CPdC)(CCO)(COO)	C(CH3)(CCC)(OPd)	C(CCC)(OC)(O)	C(CPdC)(CCO)(COO)	C(CH3)(CCC)(OPd)	C(CCC)(OC)(O)	120.1910	0.000	1	120.1910	0.000	1	122.3617	5.936	11	121.6055	7.866	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	3:2:1:	C-3:C-3:N-3:	C-4:C-3:N-2:	C-3:O-2:O-1:	C(CCN)(COO)(NCS)	C(CH3)(CCN)(NC)	C(CCN)(OC)(O)	C(CCN)(COO)(NCS)	C(CH3)(CCN)(NC)	C(CCN)(OC)(O)	121.7680	0.000	1	121.7680	0.000	1	121.7680	0.000	1	121.6055	7.866	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	3:3:1:	C-3:C-3:C-3:	As-4:C-3:C-2:	C-3:C-3:H-1:	C(CAsC)(CCH)(CCO)	C(AsC[6a]3)(CCC)(CN)	C(CCC)(CCH)(H)	C(CAsC)(CCH)(CCO)	C(AsC[6a]3)(CCC)(CN)	C(CCC)(CCH)(H)	120.4740	0.000	1	120.4740	0.000	1	120.4740	0.000	1	120.1024	6.072	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	3:3:1:	C-3:C-3:C-3:	As-4:C-3:C-2:	C-3:C-3:O-1:	C(CAsC)(CCH)(CCO)	C(AsC[6a]3)(CCC)(CN)	C(CCC)(CCH)(O)	C(CAsC)(CCH)(CCO)	C(AsC[6a]3)(CCC)(CN)	C(CCC)(CCH)(O)	113.9980	0.000	1	113.9980	0.000	1	113.9980	0.000	1	120.1024	6.072	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	3:3:1:	C-3:C-3:C-3:	C-4:C-3:N-2:	N-3:C-3:H-1:	C(CCN)2(CHN)	C(CH3)(CCC)(NC)	C(NNiC)(CCC)(H)	C(CCN)2(CHN)	C(CH3)(CCC)(NC)	C(NNiC)(CCC)(H)	119.3440	0.000	1	119.3440	0.000	1	118.3745	1.880	2	120.1024	6.072	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	3:3:1:	C-3:C-3:C-3:	C-4:C-3:N-2:	N-3:C-3:H-1:	C(CCN)2(CHN)	C(CH3)(CCC)(NH)	C(NNiC)(CCC)(H)	C(CCN)2(CHN)	C(CH3)(CCC)(NH)	C(NNiC)(CCC)(H)	117.4050	0.000	1	117.4050	0.000	1	118.3745	1.880	2	120.1024	6.072	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	3:3:1:	C-3:C-3:C-3:	C-4:C-3:O-2:	C-3:N-3:O-1:	C(CCO)(CNO)(COO)	C(CH3)(CCC)(OH)	C(CCC)(NCH)(O)	C(CCO)(CNO)(COO)	C(CH3)(CCC)(OH)	C(CCC)(NCH)(O)	117.1710	0.000	1	117.1710	0.000	1	117.1710	0.000	1	120.1024	6.072	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	3:3:1:	C-3:C-3:C-3:	C-4:C-3:O-2:	N-3:C-3:H-1:	C(CCO)2(CHN)	C(CH3)(CCC)(OCo)	C(NCoC)(CCC)(H)	C(CCO)2(CHN)	C(CH3)(CCC)(OCo)	C(NCoC)(CCC)(H)	120.8407	2.439	4	120.8407	5.949	4	120.8746	1.748	14	120.1024	6.072	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	3:3:1:	C-3:C-3:C-3:	C-4:C-3:O-2:	N-3:C-3:H-1:	C(CCO)2(CHN)	C(CH3)(CCC)(OFe)	C(NFeC)(CCC)(H)	C(CCO)2(CHN)	C(CH3)(CCC)(OFe)	C(NFeC)(CCC)(H)	120.5687	0.334	8	120.5687	0.112	8	120.8746	1.748	14	120.1024	6.072	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	3:3:1:	C-3:C-3:C-3:	C-4:C-3:O-2:	N-3:C-3:H-1:	C(CCO)2(CHN)	C(CH3)(CCC)(OZn)	C(NZnC)(CCC)(H)	C(CCO)2(CHN)	C(CH3)(CCC)(OZn)	C(NZnC)(CCC)(H)	122.1655	0.091	2	122.1655	0.008	2	120.8746	1.748	14	120.1024	6.072	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	3:3:1:	C[6a]-3:C-3:C-3:	C-4:C-3:O-2:	N[6]-3:C-3:O-1:	C(C[6a]C[6a]2)(CN[6]O)(CCO)	C(CC[6a]HH)(CC[6a]C)(OC)	C(N[6]C[6]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CN[6]O)(CCO)	C(CC[6a]HH)(CC[6a]C)(OC)	C(N[6]C[6]2)(CC[6a]C)(O)	116.5340	0.000	1	116.5340	0.000	1	116.5340	0.000	1	120.1024	6.072	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	3:3:1:	C[6a]-3:C-3:C-3:	C[3x6]-4:C-3:O-2:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[3x6]O)(CCH)	C(C[3x6]C[6,6]3)(CC[6a]C)(OSi)	C(CC[6a]C)2(H)	C(C[6a]C[6a]2)(CC[3x6]O)(CCH)	C(C[3x6]C[6,6]3)(CC[6a]C)(OSi)	C(CC[6a]C)2(H)	124.9800	0.000	1	124.9800	0.000	1	124.9800	0.000	1	120.1024	6.072	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	3:3:3:	C-3:C-3:C-3:	C-4:C-3:O-2:	C-3:C-3:C-3:	C(CCC)(CCO)2	C(CCHH)(CCC)(OPd)	C(CCC)(CCO)2	C(CCC)(CCO)2	C(CCHH)(CCC)(OPd)	C(CCC)(CCO)2	118.8090	1.484	2	118.8090	2.201	2	118.5423	1.490	25	118.6861	3.157	27	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	3:3:3:	C-3:C-3:C-3:	C-4:C-3:O-2:	C-3:C-3:C-3:	C(CCC)(CCO)2	C(CH3)(CCC)(OH)	C(CCC)(CCO)2	C(CCC)(CCO)2	C(CH3)(CCC)(OH)	C(CCC)(CCO)2	121.8520	0.000	1	121.8520	0.000	1	118.5423	1.490	25	118.6861	3.157	27	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	3:3:3:	C-3:C-3:C-3:	C-4:C-3:O-2:	C-3:C-3:C-3:	C(CCC)(CCO)2	C(CH3)(CCC)(ONi)	C(CCC)(CCO)2	C(CCC)(CCO)2	C(CH3)(CCC)(ONi)	C(CCC)(CCO)2	119.9280	0.098	2	119.9280	0.010	2	118.5423	1.490	25	118.6861	3.157	27	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	3:3:3:	C-3:C-3:C-3:	C-4:C-3:O-2:	C-3:C-3:C-3:	C(CCC)(CCO)2	C(CH3)(CCC)(OPd)	C(CCC)(CCO)2	C(CCC)(CCO)2	C(CH3)(CCC)(OPd)	C(CCC)(CCO)2	118.2548	0.835	18	118.2548	0.696	18	118.5423	1.490	25	118.6861	3.157	27	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	3:3:3:	C-3:C-3:C-3:	C-4:C-3:O-2:	C-3:C-3:C-3:	C(CCC)(CCO)2	C(CH3)(CCC)(ORh)	C(CCC)(CCO)2	C(CCC)(CCO)2	C(CH3)(CCC)(ORh)	C(CCC)(CCO)2	117.8230	2.063	2	117.8230	4.257	2	118.5423	1.490	25	118.6861	3.157	27	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	3:3:3:	C-3:C-3:C-3:	C-4:C-3:O-2:	S-3:S-3:C-3:	C(CCO)2(CSS)	C(CH3)(CCC)(OPd)	C(SPd2)2(CCC)	C(CCO)2(CSS)	C(CH3)(CCC)(OPd)	C(SPd2)2(CCC)	120.4840	6.272	2	120.4840	39.338	2	120.4840	39.338	2	118.6861	3.157	27	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	4:3:1:	C-3:C-3:C-3:	C-4:C-3:O-2:	C-4:C-3:O-1:	C(CCC)(CCO)2	C(CH3)(CCC)(OH)	C(CH3)(CCC)(O)	C(CCC)(CCO)2	C(CH3)(CCC)(OH)	C(CH3)(CCC)(O)	117.6460	0.000	1	117.6460	0.000	1	120.9333	2.566	33	121.1023	2.901	35	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	4:3:1:	C-3:C-3:C-3:	C-4:C-3:O-2:	C-4:C-3:O-1:	C(CCN)(CCO)2	C(CF3)(CCC)(ONi)	C(CF3)(CCC)(O)	C(CCN)(CCO)2	C(CF3)(CCC)(ONi)	C(CF3)(CCC)(O)	122.0950	0.000	1	122.0950	0.000	1	120.9333	2.566	33	121.1023	2.901	35	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	4:3:1:	C-3:C-3:C-3:	C-4:C-3:O-2:	C-4:C-3:O-1:	C(CCN)(CCO)2	C(CH3)(CCC)(ORu)	C(CH3)(CCC)(O)	C(CCN)(CCO)2	C(CH3)(CCC)(ORu)	C(CH3)(CCC)(O)	117.1800	2.343	2	117.1800	5.491	2	120.9333	2.566	33	121.1023	2.901	35	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	4:3:1:	C-3:C-3:C-3:	C-4:C-3:O-2:	C-4:C-3:O-1:	C(CCO)2(CHN)	C(CH3)(CCC)(OCo)	C(CH3)(CCC)(O)	C(CCO)2(CHN)	C(CH3)(CCC)(OCo)	C(CH3)(CCC)(O)	121.7040	0.316	4	121.7040	0.100	4	120.9333	2.566	33	121.1023	2.901	35	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	4:3:1:	C-3:C-3:C-3:	C-4:C-3:O-2:	C-4:C-3:O-1:	C(CCO)2(CHN)	C(CH3)(CCC)(OCu)	C(CH3)(CCC)(O)	C(CCO)2(CHN)	C(CH3)(CCC)(OCu)	C(CH3)(CCC)(O)	121.2008	0.526	6	121.2008	0.277	6	120.9333	2.566	33	121.1023	2.901	35	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	4:3:1:	C-3:C-3:C-3:	C-4:C-3:O-2:	C-4:C-3:O-1:	C(CCO)2(CHN)	C(CH3)(CCC)(OFe)	C(CH3)(CCC)(O)	C(CCO)2(CHN)	C(CH3)(CCC)(OFe)	C(CH3)(CCC)(O)	121.8102	0.934	12	121.8102	0.873	12	120.9333	2.566	33	121.1023	2.901	35	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	4:3:1:	C-3:C-3:C-3:	C-4:C-3:O-2:	C-4:C-3:O-1:	C(CCO)2(CHN)	C(CH3)(CCC)(ONi)	C(CH3)(CCC)(O)	C(CCO)2(CHN)	C(CH3)(CCC)(ONi)	C(CH3)(CCC)(O)	121.2650	0.363	2	121.2650	0.132	2	120.9333	2.566	33	121.1023	2.901	35	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	4:3:1:	C-3:C-3:C-3:	C-4:C-3:O-2:	C-4:C-3:O-1:	C(CCO)2(CHN)	C(CH3)(CCC)(OZn)	C(CH3)(CCC)(O)	C(CCO)2(CHN)	C(CH3)(CCC)(OZn)	C(CH3)(CCC)(O)	120.7525	0.861	2	120.7525	0.741	2	120.9333	2.566	33	121.1023	2.901	35	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	4:3:1:	C-3:C-3:C-3:	C-4:C-3:O-2:	C-4:C-3:O-1:	C(CCO)2(CNS)	C(CH3)(CCC)(OH)	C(CH3)(CCC)(O)	C(CCO)2(CNS)	C(CH3)(CCC)(OH)	C(CH3)(CCC)(O)	119.2530	0.000	1	119.2530	0.000	1	120.9333	2.566	33	121.1023	2.901	35	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	4:3:1:	C-3:C-3:C-3:	C-4:C-3:O-2:	C-4:C-3:O-1:	C(CC[6a]C)(CCO)2	C(CH3)(CCC)(OH)	C(CH3)(CCC)(O)	C(CC[6a]C)(CCO)2	C(CH3)(CCC)(OH)	C(CH3)(CCC)(O)	118.8335	0.421	2	118.8335	0.177	2	120.9333	2.566	33	121.1023	2.901	35	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	4:3:1:	S-3:C-3:C-3:	C-4:C-3:O-2:	C-4:C-3:O-1:	C(SCoC)(CCO)2	C(CH3)(CCS)(OCo)	C(CH3)(CCS)(O)	C(SCoC)(CCO)2	C(CH3)(CCS)(OCo)	C(CH3)(CCS)(O)	123.9790	0.000	1	123.9790	0.000	1	123.8900	0.016	2	121.1023	2.901	35	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	4:3:1:	S-3:C-3:C-3:	C-4:C-3:O-2:	C-4:C-3:O-1:	C(SNiC)(CCO)2	C(CH3)(CCS)(ONi)	C(CH3)(CCS)(O)	C(SNiC)(CCO)2	C(CH3)(CCS)(ONi)	C(CH3)(CCS)(O)	123.8010	0.000	1	123.8010	0.000	1	123.8900	0.016	2	121.1023	2.901	35	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	4:3:2:	C-3:C-3:C-3:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCC)(CCO)2	C(CCHH)(CCC)(OPd)	C(CH3)(CCC)(OPd)	C(CCC)(CCO)2	C(CCHH)(CCC)(OPd)	C(CH3)(CCC)(OPd)	123.2585	0.373	2	123.2585	0.139	2	122.8262	2.458	13	122.8262	2.458	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	4:3:2:	C-3:C-3:C-3:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCC)(CCO)2	C(CH3)(CCC)(ONi)	C(CH3)(CCC)(ONi)	C(CCC)(CCO)2	C(CH3)(CCC)(ONi)	C(CH3)(CCC)(ONi)	120.1360	0.000	1	120.1360	0.000	1	122.8262	2.458	13	122.8262	2.458	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	4:3:2:	C-3:C-3:C-3:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCC)(CCO)2	C(CH3)(CCC)(OPd)	C(CH3)(CCC)(OPd)	C(CCC)(CCO)2	C(CH3)(CCC)(OPd)	C(CH3)(CCC)(OPd)	123.3404	0.640	8	123.3404	0.409	8	122.8262	2.458	13	122.8262	2.458	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	4:3:2:	C-3:C-3:C-3:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCC)(CCO)2	C(CH3)(CCC)(ORh)	C(CH3)(CCC)(ORh)	C(CCC)(CCO)2	C(CH3)(CCC)(ORh)	C(CH3)(CCC)(ORh)	124.3410	0.000	1	124.3410	0.000	1	122.8262	2.458	13	122.8262	2.458	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:2:	4:3:2:	C-3:C-3:C-3:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCO)2(CSS)	C(CH3)(CCC)(OPd)	C(CH3)(CCC)(OPd)	C(CCO)2(CSS)	C(CH3)(CCC)(OPd)	C(CH3)(CCC)(OPd)	119.0230	0.000	1	119.0230	0.000	1	122.8262	2.458	13	122.8262	2.458	13	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:2:1:	C-3:C-3:C-3:	C-4:C-3:C-3:	C-3:O-2:O-1:	C(CCC)(COO)2	C(CCHH)(CCC)(CCH)	C(CCC)(OC)(O)	C(CCC)(COO)2	C(CCHH)(CCC)(CCH)	C(CCC)(OC)(O)	122.6590	1.086	2	122.6590	1.180	2	119.8032	10.312	5	120.0337	6.670	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:2:1:	C-3:C-3:C-3:	C-4:C-3:C-3:	C-3:O-2:O-1:	C(CCC)2(COO)	C(CCHH)(CCC)(COO)	C(CCC)(OC)(O)	C(CCC)2(COO)	C(CCHH)(CCC)(COO)	C(CCC)(OC)(O)	118.9530	0.000	1	118.9530	0.000	1	119.8032	10.312	5	120.0337	6.670	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:2:1:	C-3:C-3:C-3:	C-4:C-3:C-3:	C-3:O-2:O-1:	C(CCC)2(COO)	C(CH3)(CCC)(CCH)	C(CCC)(OC)(O)	C(CCC)2(COO)	C(CH3)(CCC)(CCH)	C(CCC)(OC)(O)	115.0040	0.000	1	115.0040	0.000	1	119.8032	10.312	5	120.0337	6.670	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:2:1:	C-3:C-3:C-3:	C-4:C-3:C-3:	C-3:O-2:O-1:	C(CCC)2(COO)	C(CIrHH)(CCC)(COO)	C(CCC)(OC)(O)	C(CCC)2(COO)	C(CIrHH)(CCC)(COO)	C(CCC)(OC)(O)	119.7410	0.000	1	119.7410	0.000	1	119.8032	10.312	5	120.0337	6.670	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:2:1:	C-3:C-3:C-3:	C-4:C-3:N-3:	C-3:O-2:O-1:	C(CCN)(CCO)(COO)	C(CCHH)(CCC)(NHH)	C(CCC)(OC)(O)	C(CCN)(CCO)(COO)	C(CCHH)(CCC)(NHH)	C(CCC)(OC)(O)	117.1210	0.000	1	117.1210	0.000	1	117.9880	1.503	2	120.0337	6.670	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:2:1:	C-3:C-3:C-3:	C-4:C-3:N-3:	C-3:O-2:O-1:	C(CCN)(CCS)(COO)	C(CHHN)(CCC)(NHH)	C(CCC)(OC)(O)	C(CCN)(CCS)(COO)	C(CHHN)(CCC)(NHH)	C(CCC)(OC)(O)	118.8550	0.000	1	118.8550	0.000	1	117.9880	1.503	2	120.0337	6.670	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:2:1:	C-3:C-3:C-3:	C-4:N-3:C-3:	C-3:O-2:O-1:	C(CCN)(COO)2	C(CCHH)(NPdH)(CCC)	C(CCC)(OC)(O)	C(CCN)(COO)2	C(CCHH)(NPdH)(CCC)	C(CCC)(OC)(O)	118.3815	1.056	2	118.3815	1.115	2	118.3815	1.115	2	120.0337	6.670	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:2:1:	C-3:C-3:C-3:	P-4:C-3:C-3:	C-3:O-2:O-1:	C(CCP)(CNS)(COO)	C(PO3)(CCC)(COO)	C(CCC)(OC)(O)	C(CCP)(CNS)(COO)	C(PO3)(CCC)(COO)	C(CCC)(OC)(O)	117.3160	0.000	1	117.3160	0.000	1	121.4676	12.555	5	120.0337	6.670	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:2:1:	C-3:C-3:C-3:	P-4:C-3:C-3:	C-3:O-2:O-1:	C(CCP)(COO)2	C(PC[6a]3)(CCC)(COO)	C(CCC)(OC)(O)	C(CCP)(COO)2	C(PC[6a]3)(CCC)(COO)	C(CCC)(OC)(O)	121.2690	1.983	2	121.2690	3.931	2	121.4676	12.555	5	120.0337	6.670	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:2:1:	C-3:C-3:C-3:	P-4:C-3:C-3:	C-3:O-2:O-1:	C(CC[6a]O)(CCP)(COO)	C(PO3)(CCC)(COO)	C(CCC)(OC)(O)	C(CC[6a]O)(CCP)(COO)	C(PO3)(CCC)(COO)	C(CCC)(OC)(O)	120.6900	0.000	1	120.6900	0.000	1	121.4676	12.555	5	120.0337	6.670	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:2:1:	C-3:C-3:C-3:	P-4:C-3:C-3:	C-3:O-2:O-1:	C(CIrO)(CCP)(COO)	C(PC[6a]2Ir)(CCC)(COO)	C(CCC)(OC)(O)	C(CIrO)(CCP)(COO)	C(PC[6a]2Ir)(CCC)(COO)	C(CCC)(OC)(O)	126.7940	0.000	1	126.7940	0.000	1	121.4676	12.555	5	120.0337	6.670	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:2:1:	C-3:C-3:N-3:	C-4:C-3:C-3:	C-3:O-2:O-1:	C(CCC)(COO)(NCC)	C(CC[5a]HH)(CCN)(COO)	C(CCN)(OC)(O)	C(CCC)(COO)(NCC)	C(CC[5a]HH)(CCN)(COO)	C(CCN)(OC)(O)	120.7005	0.310	2	120.7005	0.096	2	120.7005	0.096	2	120.0337	6.670	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:2:1:	C-3:C-3:N-3:	S-4:C-3:C-3:	C-3:O-2:O-1:	C(CCS)(COO)(NCN)	C(SCOO)(CCN)(COO)	C(CCN)(OC)(O)	C(CCS)(COO)(NCN)	C(SCOO)(CCN)(COO)	C(CCN)(OC)(O)	120.6040	0.000	1	120.6040	0.000	1	120.6040	0.000	1	120.0337	6.670	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:2:1:	C[5]-3:C-3:C-3:	C-4:C-3:C-3:	C-3:O-2:O-1:	C(C[5]N[5]2)(CCC)(COO)	C(CC[6a]HO)(CC[5]C)(COO)	C(CC[5]C)(OC)(O)	C(C[5]N[5]2)(CCC)(COO)	C(CC[6a]HO)(CC[5]C)(COO)	C(CC[5]C)(OC)(O)	120.0470	0.000	1	120.0470	0.000	1	120.0470	0.000	1	120.0337	6.670	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:2:1:	N[6]-3:C-3:C-3:	C[5]-4:C-3:C-3:	C-3:O-2:O-1:	C(N[6]C[6]2)(CC[5]C)(COO)	C(C[5]C[5,6a]2C)(CN[6]C)(COO)	C(CN[6]C)(OC)(O)	C(N[6]C[6]2)(CC[5]C)(COO)	C(C[5]C[5,6a]2C)(CN[6]C)(COO)	C(CN[6]C)(OC)(O)	119.4960	0.000	1	119.4960	0.000	1	119.4960	0.000	1	120.0337	6.670	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:2:2:	C-3:C-3:C-3:	C-4:N-3:C-3:	C-3:O-2:O-2:	C(CCN)(COO)2	C(CCHH)(NPdH)(CCC)	C(CCC)(OPd)(OC)	C(CCN)(COO)2	C(CCHH)(NPdH)(CCC)	C(CCC)(OPd)(OC)	122.5920	0.240	2	122.5920	0.058	2	122.5920	0.058	2	119.9493	7.761	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:2:2:	C-3:C-3:C-3:	C[5]-4:C-3:C-3:	C-3:C-2:C-2:	C(CC[6a]C)(CC[5]C)(CCC)	C(C[5]C[5]2Fe)(CCC)2	C(CCC)(CN)2	C(CC[6a]C)(CC[5]C)(CCC)	C(C[5]C[5]2Fe)(CCC)2	C(CCC)(CN)2	122.6110	0.000	1	122.6110	0.000	1	122.6110	0.000	1	119.9493	7.761	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:2:2:	C[6]-3:C-3:C-3:	C[5]-4:C-3:C-3:	C-3:C-2:C-2:	C(C[6]C[5a,6]2)(CC[5]C)(CCC)	C(C[5]C[5]2Fe)(CC[6]C)(CCC)	C(CC[6]C)(CN)2	C(C[6]C[5a,6]2)(CC[5]C)(CCC)	C(C[5]C[5]2Fe)(CC[6]C)(CCC)	C(CC[6]C)(CN)2	120.1650	0.000	1	120.1650	0.000	1	120.1650	0.000	1	119.9493	7.761	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:2:2:	C[6a]-3:C-3:C-3:	B[3x6]-4:C-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CB[3x6]C)(CCC)	C(B[3x6]N[5a,6,6]3)(CC[6a]C)(CCC)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CB[3x6]C)(CCC)	C(B[3x6]N[5a,6,6]3)(CC[6a]C)(CCC)	C(CC[6a]C)(CN)2	116.0070	0.000	1	116.0070	0.000	1	116.0070	0.000	1	119.9493	7.761	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:2:2:	C[6a]-3:C-3:C-3:	C[5]-4:C-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[5a,6a]C[6a])(CC[5]C)(CCC)	C(C[5]C[5]2Fe)(CC[6a]C)(CCC)	C(CC[6a]C)(CN)2	C(C[6a]C[5a,6a]C[6a])(CC[5]C)(CCC)	C(C[5]C[5]2Fe)(CC[6a]C)(CCC)	C(CC[6a]C)(CN)2	118.5330	0.000	1	118.5330	0.000	1	117.8390	0.963	2	119.9493	7.761	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:2:2:	C[6a]-3:C-3:C-3:	C[5]-4:C-3:C-3:	C-3:C-2:C-2:	C(C[6a]C[6a]2)(CC[5]C)(CCC)	C(C[5]C[5]2Fe)(CC[6a]C)(CCC)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CC[5]C)(CCC)	C(C[5]C[5]2Fe)(CC[6a]C)(CCC)	C(CC[6a]C)(CN)2	117.1450	0.000	1	117.1450	0.000	1	117.8390	0.963	2	119.9493	7.761	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:3:1:	C-3:C-3:C-3:	C-4:C-3:N-3:	N-3:C-3:H-1:	C(CCN)2(CHN)	C(CH3)(CCC)(NCH)	C(NNiC)(CCC)(H)	C(CCN)2(CHN)	C(CH3)(CCC)(NCH)	C(NNiC)(CCC)(H)	119.2260	2.105	3	119.2260	4.433	3	119.2260	4.433	3	120.1834	30.037	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:3:1:	C-3:C-3:C-3:	P-4:C-3:C-3:	C-3:C-3:H-1:	C(CCH)(CCO)(CCP)	C(PC[6a]3)(CCC)(CHH)	C(CCC)(CCH)(H)	C(CCH)(CCO)(CCP)	C(PC[6a]3)(CCC)(CHH)	C(CCC)(CCH)(H)	122.8470	0.000	1	122.8470	0.000	1	118.7875	32.959	2	120.1834	30.037	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:3:1:	C-3:C-3:C-3:	P-4:C-3:C-3:	C-3:C-3:H-1:	C(CC[6a]2)(CCH)(CCP)	C(PC[6a]2O)(CCC)(CHH)	C(CC[6a]H)(CCC)(H)	C(CC[6a]2)(CCH)(CCP)	C(PC[6a]2O)(CCC)(CHH)	C(CC[6a]H)(CCC)(H)	114.7280	0.000	1	114.7280	0.000	1	118.7875	32.959	2	120.1834	30.037	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:3:1:	C-3:C-3:C-3:	P-4:C-3:C-3:	C-3:C-3:O-1:	C(CCH)(CCO)(CCP)	C(PC[6a]3)(CCC)(CHH)	C(CCC)(CCH)(O)	C(CCH)(CCO)(CCP)	C(PC[6a]3)(CCC)(CHH)	C(CCC)(CCH)(O)	113.1520	0.000	1	113.1520	0.000	1	113.1520	0.000	1	120.1834	30.037	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:3:1:	C-3:C-3:C-3:	P-4:C-3:C-3:	C-3:N-3:S-1:	C(CCP)(CNS)(COO)	C(PO3)(CCC)(COO)	C(CCC)(NHH)(S)	C(CCP)(CNS)(COO)	C(PO3)(CCC)(COO)	C(CCC)(NHH)(S)	130.5160	0.000	1	130.5160	0.000	1	130.5160	0.000	1	120.1834	30.037	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[6]-4:C-3:C-3:	C-3:C-3:H-1:	C(C[6a]C[6a]2)(CC[6]C)(CCH)	C(C[6]C[6]O[6]H)(CC[6a]C)(COO)	C(CC[6a]C)(CCH)(H)	C(C[6a]C[6a]2)(CC[6]C)(CCH)	C(C[6]C[6]O[6]H)(CC[6a]C)(COO)	C(CC[6a]C)(CCH)(H)	122.5460	0.000	1	122.5460	0.000	1	122.5460	0.000	1	120.1834	30.037	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:3:3:	C-3:C-3:C-3:	C-4:C-3:C-3:	C-3:C-3:C-3:	C(CCC)2(COO)	C(CCHH)(CCC)(COO)	C(CIrC)(CCC)(COO)	C(CCC)2(COO)	C(CCHH)(CCC)(COO)	C(CIrC)(CCC)(COO)	122.5020	0.000	1	122.5020	0.000	1	122.3135	0.071	2	123.5267	1.545	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:3:3:	C-3:C-3:C-3:	C-4:C-3:C-3:	C-3:C-3:C-3:	C(CCC)2(COO)	C(CIrHH)(CCC)(COO)	C(CIrC)(CCC)(COO)	C(CCC)2(COO)	C(CIrHH)(CCC)(COO)	C(CIrC)(CCC)(COO)	122.1250	0.000	1	122.1250	0.000	1	122.3135	0.071	2	123.5267	1.545	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:3:3:	C-3:C-3:C-3:	C-4:N-3:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)(CC[6a]N)(CCN)	C(CC[6a]CH)(NC[6a]H)(CCC)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)(CC[6a]N)(CCN)	C(CC[6a]CH)(NC[6a]H)(CCC)	C(C[6a]C[6a]2)(CCC)(CCH)	122.0730	0.000	1	122.0730	0.000	1	122.0730	0.000	1	123.5267	1.545	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:3:3:	C-3:C-3:C-3:	P-4:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]2)(CCH)(CCP)	C(PC[6a]2O)(CCC)(CHH)	C(C[6a]C[6a]2)2(CCC)	C(CC[6a]2)(CCH)(CCP)	C(PC[6a]2O)(CCC)(CHH)	C(C[6a]C[6a]2)2(CCC)	122.9030	0.000	1	122.9030	0.000	1	122.9030	0.000	1	123.5267	1.545	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	B-4:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(BC[6a]C[5]C)(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(BC[6a]C[5]C)(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)2	123.5070	0.119	2	123.5070	0.014	2	123.6252	0.459	5	123.5267	1.545	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	B-4:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(BC[6a]N[6]C)(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(BC[6a]N[6]C)(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)2	124.1115	0.883	2	124.1115	0.780	2	123.6252	0.459	5	123.5267	1.545	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	B-4:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(BC[6a]N[6]N)(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)2	C(C[6a]C[6a]2)(CC[6a]B)(CC[6a]C)	C(BC[6a]N[6]N)(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)2	122.8890	0.000	1	122.8890	0.000	1	123.6252	0.459	5	123.5267	1.545	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:3:3:	C[6a]-3:C-3:C-3:	B[5]-4:C[6a]-3:C-3:	C[6a]-3:C-3:C-3:	C(C[6a]C[6a]2)(CC[6a]B[5])(CC[6a]C)	C(B[5]N[5,5]C[6a]N[5])(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]B[5])(CC[6a]C)	C(B[5]N[5,5]C[6a]N[5])(C[6a]C[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C[5])(CC[6a]C)	125.5325	0.059	2	125.5325	0.003	2	125.5325	0.003	2	123.5267	1.545	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:4:3:	C[6a]-3:C-3:C-3:	B-4:C[6a]-3:C-3:	C-3:C-4:C-3:	C(C[6a]C[6a]2)(CC[6a]B)(CCC)	C(BC[6a]C[5]C)(C[6a]C[6a]2)(CC[6a]C)	C(CC[6a]C)(CH3)(CCC)	C(C[6a]C[6a]2)(CC[6a]B)(CCC)	C(BC[6a]C[5]C)(C[6a]C[6a]2)(CC[6a]C)	C(CC[6a]C)(CH3)(CCC)	123.1405	0.309	2	123.1405	0.095	2	123.1405	0.095	2	123.1405	0.095	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	3:4:4:	C[6a]-3:C-3:C-3:	B-4:C-3:C-3:	C-3:Si-4:C-4:	C(C[6a]C[6a]2)(CSiC)(CBC)	C(BC[6a]N[6]Cl)(CC[6a]C)(CSiC)	C(CC[6a]C)(SiC3)(CH3)	C(C[6a]C[6a]2)(CSiC)(CBC)	C(BC[6a]N[6]Cl)(CC[6a]C)(CSiC)	C(CC[6a]C)(SiC3)(CH3)	126.9150	0.000	1	126.9150	0.000	1	126.9150	0.000	1	126.9150	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	4:3:1:	C-3:C-3:C-3:	C-4:C-3:C-3:	C-4:C-3:H-1:	C(CC[6a]O)(CCC)(CCH)	C(CCHH)(CCC)(CCH)	C(CCHH)(CCC)(H)	C(CC[6a]O)(CCC)(CCH)	C(CCHH)(CCC)(CCH)	C(CCHH)(CCC)(H)	124.5730	0.000	1	124.5730	0.000	1	124.5730	0.000	1	123.0075	4.902	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	4:3:1:	C-3:C-3:C-3:	C-4:C-3:N-3:	C-4:C-3:O-1:	C(CCN)(CCO)(COO)	C(CCHH)(CCC)(NHH)	C(CH3)(CCC)(O)	C(CCN)(CCO)(COO)	C(CCHH)(CCC)(NHH)	C(CH3)(CCC)(O)	121.4420	0.000	1	121.4420	0.000	1	121.4420	0.000	1	123.0075	4.902	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:3:3:	4:3:4:	C[6a]-3:C-3:C-3:	C[6]-4:C-3:C-3:	C[6]-4:C-3:C-4:	C(C[6a]C[6a]2)(CC[6]C)2	C(C[6]C[6]2H)(CC[6a]C)(CC[6a]I)	C(C[6]C[6]2H)(CC[6a]C)(CH3)	C(C[6a]C[6a]2)(CC[6]C)2	C(C[6]C[6]2H)(CC[6a]C)(CC[6a]I)	C(C[6]C[6]2H)(CC[6a]C)(CH3)	122.6500	0.000	1	122.6500	0.000	1	122.6500	0.000	1	122.6500	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:4:3:	3:2:1:	C-3:C-3:C-3:	C-4:C-4:C-3:	C-3:O-2:O-1:	C(CCC)(CCH)(COO)	C(CCCH)(CH3)(CCC)	C(CCC)(OC)(O)	C(CCC)(CCH)(COO)	C(CCCH)(CH3)(CCC)	C(CCC)(OC)(O)	123.7170	1.353	2	123.7170	1.832	2	121.9073	6.186	4	121.9073	6.186	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:4:3:	3:2:1:	C-3:C-3:C-3:	C-4:C-4:C-3:	C-3:O-2:O-1:	C(CC[6a]C)(CCC)(COO)	C(CCCH)(CH3)(CCC)	C(CCC)(OC)(O)	C(CC[6a]C)(CCC)(COO)	C(CCCH)(CH3)(CCC)	C(CCC)(OC)(O)	118.7510	0.000	1	118.7510	0.000	1	121.9073	6.186	4	121.9073	6.186	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:4:3:	3:2:1:	C-3:C-3:C-3:	C-4:C-4:C-3:	C-3:O-2:O-1:	C(CC[6a]C)(CCC)(COO)	C(CCHH)(CH3)(CCC)	C(CCC)(OC)(O)	C(CC[6a]C)(CCC)(COO)	C(CCHH)(CH3)(CCC)	C(CCC)(OC)(O)	121.4440	0.000	1	121.4440	0.000	1	121.9073	6.186	4	121.9073	6.186	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:4:3:	3:3:1:	C-3:C-3:C-3:	C-4:C-4:C-3:	C-3:C-3:H-1:	C(CCC)(CCH)(COO)	C(CCCH)(CH3)(CCC)	C(CN[5]H)(CCC)(H)	C(CCC)(CCH)(COO)	C(CCCH)(CH3)(CCC)	C(CN[5]H)(CCC)(H)	124.7080	0.880	2	124.7080	0.774	2	124.7080	0.774	2	124.2180	1.107	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:3:	4:4:3:	3:3:1:	C[6a]-3:C-3:C-3:	C[3]-4:P-4:C-3:	C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(CC[6a]O)(CC[3]P)	C(C[3]C[3]2O)(PC[6a]2O)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(O)	C(C[6a]C[6a]2)(CC[6a]O)(CC[3]P)	C(C[3]C[3]2O)(PC[6a]2O)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]C)(O)	123.2380	0.000	1	123.2380	0.000	1	123.2380	0.000	1	124.2180	1.107	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:4:	3:3:1:	3:2:1:	C-3:C-3:C-4:	C-3:C-3:Br-1:	C-3:C-2:Br-1:	C(CBrC)2(CH3)	C(COsH)(CCC)(Br)	C(CCC)(COs)(Br)	C(CBrC)2(CH3)	C(COsH)(CCC)(Br)	C(CCC)(COs)(Br)	116.7650	0.000	1	116.7650	0.000	1	116.7650	0.000	1	116.7650	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:4:	3:3:1:	3:2:3:	C-3:C-3:Si-4:	C[6a]-3:C-3:H-1:	N[5]-3:N-2:C-3:	C(CC[6a]H)(CN[5]N)(SiC3)	C(C[6a]C[6a,6a]C[6a])(CSiC)(H)	C(N[5]C[5]2)(NC[6a])(CSiC)	C(CC[6a]H)(CN[5]N)(SiC3)	C(C[6a]C[6a,6a]C[6a])(CSiC)(H)	C(N[5]C[5]2)(NC[6a])(CSiC)	116.0190	0.000	1	116.0190	0.000	1	116.0190	0.000	1	116.0190	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:4:	3:3:1:	3:3:1:	C-3:C-3:C-4:	C-3:C-3:Cl-1:	C-3:C-3:Cl-1:	C(CClC)2(CH3)	C(COsH)(CCC)(Cl)	C(COsO)(CCC)(Cl)	C(CClC)2(CH3)	C(COsH)(CCC)(Cl)	C(COsO)(CCC)(Cl)	116.6850	0.000	1	116.6850	0.000	1	116.6850	0.000	1	118.9248	18.452	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:4:	3:3:1:	3:3:1:	C-3:C-3:C-4:	C[5]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C(CC[5]H)2(CH3)	C(C[5]C[5]N[5])(CCC)(H)	C(C[5]C[5]2)(CCC)(H)	C(CC[5]H)2(CH3)	C(C[5]C[5]N[5])(CCC)(H)	C(C[5]C[5]2)(CCC)(H)	126.2760	0.000	1	126.2760	0.000	1	126.2760	0.000	1	118.9248	18.452	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:4:	3:3:1:	3:3:1:	C-3:C-3:C-4:	C[5a]-3:C-3:H-1:	C[6a]-3:C-3:H-1:	C(CC[5a]H)(CC[6a]H)(CH3)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[5a]H)(CC[6a]H)(CH3)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(C[6a]C[6a]2)(CCC)(H)	116.2542	1.131	13	116.2542	1.280	13	116.2542	1.280	13	118.9248	18.452	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:4:	3:3:1:	3:3:1:	C-3:C-3:C-4:	C[6]-3:C-3:H-1:	C[6]-3:C-3:O-1:	C(CC[6]H)(CC[6]O)(CH3)	C(C[6]C[6]2)(CCC)(H)	C(C[6]C[6]2)(CCC)(O)	C(CC[6]H)(CC[6]O)(CH3)	C(C[6]C[6]2)(CCC)(H)	C(C[6]C[6]2)(CCC)(O)	125.9160	0.984	2	125.9160	0.969	2	125.9160	0.969	2	118.9248	18.452	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:4:	3:3:1:	3:3:1:	C-3:C-3:C-4:	C[6a]-3:C-3:H-1:	C[5]-3:C-3:H-1:	C(CC[6a]H)(CC[5]H)(CH3)	C(C[6a]C[6a]2)(CCC)(H)	C(C[5]C[5]2)(CCC)(H)	C(CC[6a]H)(CC[5]H)(CH3)	C(C[6a]C[6a]2)(CCC)(H)	C(C[5]C[5]2)(CCC)(H)	125.7165	0.661	2	125.7165	0.437	2	125.7165	0.437	2	118.9248	18.452	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:4:	3:3:1:	3:3:1:	C-3:C-3:C-4:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(CC[6a]H)(CC[6a]O)(CC3)	C(C[6a]C[6a]2)(CCC)(H)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]H)(CC[6a]O)(CC3)	C(C[6a]C[6a]2)(CCC)(H)	C(C[6a]C[6a]2)(CCC)(O)	121.9547	0.861	3	121.9547	0.741	3	118.1188	7.560	10	118.9248	18.452	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:4:	3:3:1:	3:3:1:	C-3:C-3:C-4:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(CC[6a]H)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(CCC)(H)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]H)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(CCC)(H)	C(C[6a]C[6a]2)(CCC)(O)	116.4205	0.821	6	116.4205	0.675	6	118.1188	7.560	10	118.9248	18.452	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:4:	3:3:1:	3:3:1:	C-3:C-3:C-4:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(CC[6a]H)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(CCC)(H)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]H)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(CCC)(H)	C(C[6a]C[6a]2)(CCC)(O)	116.8010	0.000	1	116.8010	0.000	1	118.1188	7.560	10	118.9248	18.452	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:4:	3:3:1:	3:3:1:	C-3:C-3:S-4:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(CC[6a]H)(CC[6a]O)(SCOO)	C(C[6a]C[6a]2)(CCS)(H)	C(C[6a]C[6a]2)(CCS)(O)	C(CC[6a]H)(CC[6a]O)(SCOO)	C(C[6a]C[6a]2)(CCS)(H)	C(C[6a]C[6a]2)(CCS)(O)	129.0250	0.000	1	129.0250	0.000	1	129.0250	0.000	1	118.9248	18.452	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:4:	3:3:1:	4:3:1:	C-3:C-3:C-4:	C[5]-3:C-3:O-1:	C[6]-4:C-3:H-1:	C(CC[5]O)(CC[6]H)(CH3)	C(C[5]C[5,6]C[5])(CCC)(O)	C(C[6]C[6]2H)(CCC)(H)	C(CC[5]O)(CC[6]H)(CH3)	C(C[5]C[5,6]C[5])(CCC)(O)	C(C[6]C[6]2H)(CCC)(H)	119.0383	0.655	3	119.0383	0.429	3	119.0383	0.429	3	119.1988	5.410	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:4:	3:3:1:	4:3:1:	C-3:C-3:C-4:	C[5a]-3:C-3:H-1:	C[6]-4:C-3:O-1:	C(CC[5a]H)(CC[6]O)(CCHH)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(C[6]C[6]2H)(CCC)(O)	C(CC[5a]H)(CC[6]O)(CCHH)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(C[6]C[6]2H)(CCC)(O)	121.8250	0.000	1	121.8250	0.000	1	121.8250	0.000	1	119.1988	5.410	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:4:	3:3:1:	4:3:1:	C-3:C-3:C-4:	C[6a]-3:C-3:H-1:	C[3]-4:C-3:O-1:	C(CC[6a]H)(CC[3]O)(CCHH)	C(C[6a]C[6a]2)(CCC)(H)	C(C[3]C[3]2C)(CCC)(O)	C(CC[6a]H)(CC[3]O)(CCHH)	C(C[6a]C[6a]2)(CCC)(H)	C(C[3]C[3]2C)(CCC)(O)	115.2180	0.000	1	115.2180	0.000	1	115.2180	0.000	1	119.1988	5.410	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:4:	3:3:1:	4:3:1:	C-3:C-3:C-4:	C[6a]-3:C-3:O-1:	C[6]-4:C-3:H-1:	C(CC[6a]O)(CC[6]H)(CH3)	C(C[6a]C[6a]2)(CCC)(O)	C(C[6]C[6]2H)(CCC)(H)	C(CC[6a]O)(CC[6]H)(CH3)	C(C[6a]C[6a]2)(CCC)(O)	C(C[6]C[6]2H)(CCC)(H)	121.0350	0.000	1	121.0350	0.000	1	121.0350	0.000	1	119.1988	5.410	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:4:	3:3:3:	3:3:1:	C-3:C-3:C-4:	C[4]-3:C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]C[4])(CC[6a]H)(CCHH)	C(C[4]Si[4]C[4])(C[6a]C[6a]2)(CCC)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]C[4])(CC[6a]H)(CCHH)	C(C[4]Si[4]C[4])(C[6a]C[6a]2)(CCC)	C(C[6a]C[6a]2)(CCC)(H)	118.3650	0.000	1	118.3650	0.000	1	118.3650	0.000	1	122.6206	12.443	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:4:	3:3:3:	3:3:1:	C-3:C-3:C-4:	C[5]-3:C[6a]-3:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]C[5])(CC[6a]O)(CH3)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCC)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]C[5])(CC[6a]O)(CH3)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CCC)	C(C[6a]C[6a]2)(CCC)(O)	124.5060	0.000	1	124.5060	0.000	1	124.5060	0.000	1	122.6206	12.443	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:4:	3:3:3:	3:3:1:	C-3:C-3:C-4:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]C)(CC[6a]H)(CH3)	C(C[6a]C[6a]2)(CP[6]H)(CCC)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]C)(CC[6a]H)(CH3)	C(C[6a]C[6a]2)(CP[6]H)(CCC)	C(C[6a]C[6a]2)(CCC)(H)	119.2290	0.000	1	119.2290	0.000	1	119.2290	0.000	1	122.6206	12.443	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:4:	3:3:3:	3:3:1:	C-3:C-3:C-4:	C[6a]-3:C-3:N-3:	C[6a]-3:C-3:O-1:	C(CC[6a]N)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(CCC)(NCH)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]N)(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(CCC)(NCH)	C(C[6a]C[6a]2)(CCC)(O)	125.5015	0.059	2	125.5015	0.003	2	125.5015	0.003	2	122.6206	12.443	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:4:	3:3:3:	3:3:3:	C-3:C-3:C-4:	C[6a]-3:C-3:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)2(CH3)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a]C)2(CH3)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CCC)(CCH)	123.2685	1.114	2	123.2685	1.240	2	123.2685	1.240	2	123.2685	1.240	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:4:	3:4:3:	3:3:1:	C-3:C-3:C-4:	C[6a]-3:C-4:C-3:	C[6a]-3:C-3:O-1:	C(CC[6a]C)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(CHHS)(CCC)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]C)(CC[6a]O)(CH3)	C(C[6a]C[6a]2)(CHHS)(CCC)	C(C[6a]C[6a]2)(CCC)(O)	121.1845	0.305	2	121.1845	0.093	2	121.1845	0.093	2	121.1845	0.093	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:4:	3:4:3:	3:3:3:	C-3:C-3:C-4:	C[6a]-3:C-4:C-3:	C[6a]-3:C-3:C-3:	C(CC[6a]C)2(CH3)	C(C[6a]C[6a]2)(CHHO)(CCC)	C(C[6a]C[6a]2)(CCC)2	C(CC[6a]C)2(CH3)	C(C[6a]C[6a]2)(CHHO)(CCC)	C(C[6a]C[6a]2)(CCC)2	122.0170	0.000	1	122.0170	0.000	1	122.0170	0.000	1	122.0170	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:4:	4:3:1:	3:3:1:	C-3:C-3:C-4:	C[6]-4:C-3:H-1:	C[5]-3:C-3:O-1:	C(CC[5]O)(CC[6]H)(CH3)	C(C[6]C[6]2H)(CCC)(H)	C(C[5]C[5]2)(CCC)(O)	C(CC[5]O)(CC[6]H)(CH3)	C(C[6]C[6]2H)(CCC)(H)	C(C[5]C[5]2)(CCC)(O)	122.7010	0.000	1	122.7010	0.000	1	122.7010	0.000	1	121.0270	5.605	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:4:	4:3:1:	3:3:1:	C-3:C-3:C-4:	C[6]-4:C-3:H-1:	C[6]-3:C-3:O-1:	C(CC[6]H)(CC[6]O)(CH3)	C(C[6]C[6]2H)(CCC)(H)	C(C[6]C[6]2)(CCC)(O)	C(CC[6]H)(CC[6]O)(CH3)	C(C[6]C[6]2H)(CCC)(H)	C(C[6]C[6]2)(CCC)(O)	119.3530	0.000	1	119.3530	0.000	1	119.3530	0.000	1	121.0270	5.605	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:4:	4:3:1:	4:3:1:	C-3:C-3:C-4:	C[3]-4:C-3:H-1:	C[5]-4:C-3:O-1:	C(CC[3]H)(CC[5]O)(CH3)	C(C[3]C[3]2H)(CCC)(H)	C(C[5]C[5]2H)(CCC)(O)	C(CC[3]H)(CC[5]O)(CH3)	C(C[3]C[3]2H)(CCC)(H)	C(C[5]C[5]2H)(CCC)(O)	121.1500	0.000	1	121.1500	0.000	1	121.5366	2.674	8	121.5366	2.674	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:4:	4:3:1:	4:3:1:	C-3:C-3:C-4:	C[3]-4:C-3:H-1:	C[5]-4:C-3:O-1:	C(CC[3]H)(CC[5]O)(CH3)	C(C[3]C[3]2H)(CCC)(H)	C(C[5]C[5]2O)(CCC)(O)	C(CC[3]H)(CC[5]O)(CH3)	C(C[3]C[3]2H)(CCC)(H)	C(C[5]C[5]2O)(CCC)(O)	121.5919	1.758	7	121.5919	3.091	7	121.5366	2.674	8	121.5366	2.674	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:3:4:	4:3:3:	4:3:2:	C-3:C-3:C-4:	Si-4:C-3:C-3:	Si-4:C-3:C-2:	C(CSiC)2(CH3)	C(SiC3)(COsH)(CCC)	C(SiC3)(CCC)(COs)	C(CSiC)2(CH3)	C(SiC3)(COsH)(CCC)	C(SiC3)(CCC)(COs)	122.2060	0.000	1	122.2060	0.000	1	122.2060	0.000	1	122.2060	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	2:3:1:	3:1:1:	C-3:C-4:C-3:	N-2:C-3:H-1:	C-3:Br-1:H-1:	C(CBrH)(CH3)(CHN)	C(NC[6])(CCC)(H)	C(CCC)(Br)(H)	C(CBrH)(CH3)(CHN)	C(NC[6])(CCC)(H)	C(CCC)(Br)(H)	115.3900	0.000	1	115.3900	0.000	1	115.3900	0.000	1	115.3900	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:2:3:	3:2:1:	C-3:C-4:C-3:	C-3:Se-2:C-3:	C-3:O-2:O-1:	C(CSeC)(CH3)(COO)	C(CC[6a]O)(SeC[6a])(CCC)	C(CCC)(OC)(O)	C(CSeC)(CH3)(COO)	C(CC[6a]O)(SeC[6a])(CCC)	C(CCC)(OC)(O)	118.8150	0.000	1	118.8150	0.000	1	118.8150	0.000	1	118.8150	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:2:3:	4:3:1:	C-3:Si-4:C-3:	N-3:N-2:C-3:	N[6]-4:C-3:H-1:	C(CN[6]H)(SiC3)(CNN)	C(NC[6]Al)(NC[6])(CSiC)	C(N[6]C[6]2Al)(CSiC)(H)	C(CN[6]H)(SiC3)(CNN)	C(NC[6]Al)(NC[6])(CSiC)	C(N[6]C[6]2Al)(CSiC)(H)	121.4470	0.000	1	121.4470	0.000	1	121.4470	0.000	1	121.4470	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	2:3:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	N-2:C-3:H-1:	C(CC[6a]H)(CH3)(CHN)	C(C[6a]C[6a]2)(CCC)(H)	C(NC[6a])(CCC)(H)	C(CC[6a]H)(CH3)(CHN)	C(C[6a]C[6a]2)(CCC)(H)	C(NC[6a])(CCC)(H)	116.0983	0.778	3	116.0983	0.605	3	116.0983	0.605	3	116.0983	0.605	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:1:1:	C-3:C-4:C-3:	C[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(CC[5]H)(CH3)(CHH)	C(C[5]C[5]2)(CCC)(H)	C(CCC)(H)2	C(CC[5]H)(CH3)(CHH)	C(C[5]C[5]2)(CCC)(H)	C(CCC)(H)2	118.4180	0.000	1	118.4180	0.000	1	118.4180	0.000	1	119.8353	14.122	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:1:1:	C-3:C-4:C-3:	C[5a]-3:C-3:H-1:	C-3:H-1:O-1:	C(CC[5a]H)(CCHH)(CHO)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CCC)(H)(O)	C(CC[5a]H)(CCHH)(CHO)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CCC)(H)(O)	114.5340	0.000	1	114.5340	0.000	1	114.5340	0.000	1	119.8353	14.122	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:1:1:	C-3:C-4:C-3:	C[6,6]-3:C-3:H-1:	C-3:H-1:H-1:	C(CC[6,6]H)(CH3)(CHH)	C(C[6,6]C[4,6,6]C[6,6])(CCC)(H)	C(CCC)(H)2	C(CC[6,6]H)(CH3)(CHH)	C(C[6,6]C[4,6,6]C[6,6])(CCC)(H)	C(CCC)(H)2	128.0460	0.000	1	128.0460	0.000	1	128.0460	0.000	1	119.8353	14.122	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:1:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-3:H-1:O-1:	C(CC[6a]H)(CCCH)(CHO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(H)(O)	C(CC[6a]H)(CCCH)(CHO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(H)(O)	116.3710	0.000	1	116.3710	0.000	1	116.3710	0.000	1	119.8353	14.122	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:1:1:	C-3:C-4:C-3:	C[6a]-3:C-3:O-1:	C-3:H-1:H-1:	C(CC[6a]O)(CCHH)(CHH)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(H)2	C(CC[6a]O)(CCHH)(CHH)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(H)2	120.9245	0.431	2	120.9245	0.185	2	120.6323	0.349	3	119.8353	14.122	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:1:1:	C-3:C-4:C-3:	C[6a]-3:C-3:O-1:	C-3:H-1:H-1:	C(CC[6a]O)(CH3)(CHH)	C(C[6a]C[6a,6a]2)(CCC)(O)	C(CCC)(H)2	C(CC[6a]O)(CH3)(CHH)	C(C[6a]C[6a,6a]2)(CCC)(O)	C(CCC)(H)2	120.0480	0.000	1	120.0480	0.000	1	120.6323	0.349	3	119.8353	14.122	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:1:1:	C-3:C-4:C-3:	N[5a]-3:C-3:O-1:	C-3:H-1:H-1:	C(CN[5a]O)(CH3)(CHH)	C(N[5a]C[5a,6a]C[5a])(CCC)(O)	C(CCC)(H)2	C(CN[5a]O)(CH3)(CHH)	C(N[5a]C[5a,6a]C[5a])(CCC)(O)	C(CCC)(H)2	119.0120	0.000	1	119.0120	0.000	1	119.0120	0.000	1	119.8353	14.122	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:1:1:	C-3:C-4:C-3:	N[6]-3:C-3:O-1:	C-3:H-1:H-1:	C(CN[6]O)(CH3)(CHH)	C(N[6]C[6]2)(CCC)(O)	C(CCC)(H)2	C(CN[6]O)(CH3)(CHH)	C(N[6]C[6]2)(CCC)(O)	C(CCC)(H)2	120.2400	0.000	1	120.2400	0.000	1	120.2400	0.000	1	119.8353	14.122	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:2:1:	C-3:C-4:C-3:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(CCHH)(COO)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CCC)(OC)(O)	C(CC[5a]H)(CCHH)(COO)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CCC)(OC)(O)	118.9550	0.000	1	118.9550	0.000	1	116.8165	2.048	4	118.0064	4.380	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:2:1:	C-3:C-4:C-3:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(CHHN)(COO)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CCC)(OC)(O)	C(CC[5a]H)(CHHN)(COO)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CCC)(OC)(O)	116.2570	0.000	1	116.2570	0.000	1	116.8165	2.048	4	118.0064	4.380	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:2:1:	C-3:C-4:C-3:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(CHHO)(COO)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CCC)(OC)(O)	C(CC[5a]H)(CHHO)(COO)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CCC)(OC)(O)	115.9520	0.000	1	115.9520	0.000	1	116.8165	2.048	4	118.0064	4.380	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:2:1:	C-3:C-4:C-3:	C[5a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]H)(CHHS)(COO)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CCC)(OC)(O)	C(CC[5a]H)(CHHS)(COO)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CCC)(OC)(O)	116.1020	0.000	1	116.1020	0.000	1	116.8165	2.048	4	118.0064	4.380	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:2:1:	C-3:C-4:C-3:	C[6]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6]H)(CCCH)(COO)	C(C[6]C[6,6a]C[6])(CCC)(H)	C(CCC)(OC)(O)	C(CC[6]H)(CCCH)(COO)	C(C[6]C[6,6a]C[6])(CCC)(H)	C(CCC)(OC)(O)	121.9340	0.000	1	121.9340	0.000	1	121.9340	0.000	1	118.0064	4.380	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:2:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-3:N-2:H-1:	C(CC[6a]H)(CH3)(CHN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(NC)(H)	C(CC[6a]H)(CH3)(CHN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(NC)(H)	116.1983	0.184	4	116.1983	0.034	4	116.6743	0.496	8	118.0064	4.380	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:2:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-3:N-2:H-1:	C(CC[6a]H)(CH3)(CHN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(NN)(H)	C(CC[6a]H)(CH3)(CHN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(NN)(H)	117.1502	0.720	4	117.1502	0.519	4	116.6743	0.496	8	118.0064	4.380	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:2:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(CBrHH)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6a]H)(CBrHH)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	116.8074	2.359	5	116.8074	5.564	5	118.1979	4.546	60	118.0064	4.380	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:2:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(CCCH)(COO)	C(C[6a]C[5,6a]C[6a])(CCC)(H)	C(CCC)(OH)(O)	C(CC[6a]H)(CCCH)(COO)	C(C[6a]C[5,6a]C[6a])(CCC)(H)	C(CCC)(OH)(O)	122.8540	0.000	1	122.8540	0.000	1	118.1979	4.546	60	118.0064	4.380	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:2:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(CCCH)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6a]H)(CCCH)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	118.2805	4.054	2	118.2805	16.434	2	118.1979	4.546	60	118.0064	4.380	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:2:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(CCHH)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6a]H)(CCHH)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	117.9383	2.606	9	117.9383	6.792	9	118.1979	4.546	60	118.0064	4.380	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:2:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(CCHH)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OH)(O)	C(CC[6a]H)(CCHH)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OH)(O)	118.2687	0.085	3	118.2687	0.007	3	118.1979	4.546	60	118.0064	4.380	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:2:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(CClHH)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OH)(O)	C(CC[6a]H)(CClHH)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OH)(O)	116.1600	0.000	1	116.1600	0.000	1	118.1979	4.546	60	118.0064	4.380	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:2:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(CF3)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6a]H)(CF3)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	116.6170	0.000	1	116.6170	0.000	1	118.1979	4.546	60	118.0064	4.380	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:2:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(CH3)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OH)(O)	C(CC[6a]H)(CH3)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OH)(O)	118.2755	0.491	6	118.2755	0.242	6	118.1979	4.546	60	118.0064	4.380	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:2:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(CHHI)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6a]H)(CHHI)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	118.1160	0.505	2	118.1160	0.255	2	118.1979	4.546	60	118.0064	4.380	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:2:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(CHHN)(COO)	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(CCC)(OC)(O)	C(CC[6a]H)(CHHN)(COO)	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(CCC)(OC)(O)	119.5530	0.000	1	119.5530	0.000	1	118.1979	4.546	60	118.0064	4.380	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:2:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(CHHN)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6a]H)(CHHN)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	118.8033	2.257	9	118.8033	5.092	9	118.1979	4.546	60	118.0064	4.380	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:2:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(CHHO)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6a]H)(CHHO)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	118.4239	2.306	15	118.4239	5.317	15	118.1979	4.546	60	118.0064	4.380	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:2:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(CHHP)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6a]H)(CHHP)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	115.9860	0.000	1	115.9860	0.000	1	118.1979	4.546	60	118.0064	4.380	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:2:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(CHHP)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OH)(O)	C(CC[6a]H)(CHHP)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OH)(O)	117.2570	0.000	1	117.2570	0.000	1	118.1979	4.546	60	118.0064	4.380	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:2:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(CHHS)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6a]H)(CHHS)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	120.6980	0.000	1	120.6980	0.000	1	118.1979	4.546	60	118.0064	4.380	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:2:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(CPdHH)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OPd)(O)	C(CC[6a]H)(CPdHH)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OPd)(O)	117.2125	0.004	2	117.2125	0.000	2	118.1979	4.546	60	118.0064	4.380	73	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:2:2:	C-3:C-4:C-3:	C[5a]-3:C-3:O-1:	C-3:S-2:S-2:	C(CC[5a]O)(CF3)(CSS)	C(C[5a]C[5a]O[5a])(CCC)(O)	C(CCC)(SC)2	C(CC[5a]O)(CF3)(CSS)	C(C[5a]C[5a]O[5a])(CCC)(O)	C(CCC)(SC)2	120.9380	0.000	1	120.9380	0.000	1	120.9380	0.000	1	120.6400	0.178	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:2:2:	C-3:C-4:C-3:	C[6a]-3:C-3:O-1:	C-3:S-2:S-2:	C(CC[6a]O)(CCHH)(CSS)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(SC)2	C(CC[6a]O)(CCHH)(CSS)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(SC)2	120.3420	0.000	1	120.3420	0.000	1	120.3420	0.000	1	120.6400	0.178	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:3:1:	C-3:C-4:C-3:	C[5]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5]H)(CCCH)(CCH)	C(C[5]C[5]2)(CCC)(H)	C(CCC)(CCH)(H)	C(CC[5]H)(CCCH)(CCH)	C(C[5]C[5]2)(CCC)(H)	C(CCC)(CCH)(H)	125.9192	0.771	9	125.9192	0.595	9	125.9192	0.595	9	122.2533	12.538	49	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:3:1:	C-3:C-4:C-3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5a]H)(CCHH)(CCH)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CCC)(CCH)(H)	C(CC[5a]H)(CCHH)(CCH)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CCC)(CCH)(H)	122.3110	0.000	1	122.3110	0.000	1	119.6935	13.703	2	122.2533	12.538	49	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:3:1:	C-3:C-4:C-3:	C[5a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[5a]H)(CH3)(CCH)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CClO)(CCC)(H)	C(CC[5a]H)(CH3)(CCH)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CClO)(CCC)(H)	117.0760	0.000	1	117.0760	0.000	1	119.6935	13.703	2	122.2533	12.538	49	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:3:1:	C-3:C-4:C-3:	C[5a]-3:C-3:H-1:	C-3:C-3:O-1:	C(CC[5a]H)(CCHH)(CCO)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CCC)2(O)	C(CC[5a]H)(CCHH)(CCO)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CCC)2(O)	117.8290	0.000	1	117.8290	0.000	1	118.6267	0.479	3	122.2533	12.538	49	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:3:1:	C-3:C-4:C-3:	C[5a]-3:C-3:H-1:	C-3:C-3:O-1:	C(CC[5a]H)(CH3)(CCO)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CCC)2(O)	C(CC[5a]H)(CH3)(CCO)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CCC)2(O)	119.0255	0.060	2	119.0255	0.004	2	118.6267	0.479	3	122.2533	12.538	49	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:3:1:	C-3:C-4:C-3:	C[5a]-3:C-3:H-1:	C-3:N-3:H-1:	C(CC[5a]H)(CCHH)(CHN)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CCC)(NHS)(H)	C(CC[5a]H)(CCHH)(CHN)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CCC)(NHS)(H)	115.4930	0.000	1	115.4930	0.000	1	115.4930	0.000	1	122.2533	12.538	49	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:3:1:	C-3:C-4:C-3:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CCCH)(CCH)	C(C[6]C[6]2)(CCC)(H)	C(CCC)(CCH)(H)	C(CC[6]H)(CCCH)(CCH)	C(C[6]C[6]2)(CCC)(H)	C(CCC)(CCH)(H)	124.2670	0.000	1	124.2670	0.000	1	123.5293	0.441	3	122.2533	12.538	49	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:3:1:	C-3:C-4:C-3:	C[6]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CH3)(CCH)	C(C[6]C[6]2)(CCC)(H)	C(CC[6]H)(CCC)(H)	C(CC[6]H)(CH3)(CCH)	C(C[6]C[6]2)(CCC)(H)	C(CC[6]H)(CCC)(H)	123.1605	0.255	2	123.1605	0.065	2	123.5293	0.441	3	122.2533	12.538	49	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:3:1:	C-3:C-4:C-3:	C[6a]-3:C-3:Cl-1:	C-3:N-3:O-1:	C(CC[6a]Cl)(CC[5]HH)(CNO)	C(C[6a]C[6a]2)(CCC)(Cl)	C(CCC)(NCH)(O)	C(CC[6a]Cl)(CC[5]HH)(CNO)	C(C[6a]C[6a]2)(CCC)(Cl)	C(CCC)(NCH)(O)	121.9410	0.000	1	121.9410	0.000	1	121.9410	0.000	1	122.2533	12.538	49	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:3:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCCN)(CCH)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]C)(CCC)(H)	C(CC[6a]H)(CCCN)(CCH)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]C)(CCC)(H)	119.7927	0.216	3	119.7927	0.047	3	121.1162	2.559	12	122.2533	12.538	49	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:3:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCCO)(CCH)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]C)(CCC)(H)	C(CC[6a]H)(CCCO)(CCH)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]C)(CCC)(H)	121.4640	1.114	2	121.4640	1.242	2	121.1162	2.559	12	122.2533	12.538	49	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:3:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCHH)(CCH)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(CCH)(H)	C(CC[6a]H)(CCHH)(CCH)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(CCH)(H)	118.3660	0.000	1	118.3660	0.000	1	121.1162	2.559	12	122.2533	12.538	49	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:3:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CCHH)(CCH)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCC)(H)	C(CC[6a]H)(CCHH)(CCH)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CCC)(H)	120.2950	0.000	1	120.2950	0.000	1	121.1162	2.559	12	122.2533	12.538	49	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:3:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CH3)(CCH)	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(CC[6]H)(CCC)(H)	C(CC[6a]H)(CH3)(CCH)	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(CC[6]H)(CCC)(H)	122.3625	0.039	2	122.3625	0.002	2	121.1162	2.559	12	122.2533	12.538	49	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:3:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CH3)(CCH)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)2(H)	C(CC[6a]H)(CH3)(CCH)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)2(H)	121.8440	0.000	1	121.8440	0.000	1	121.1162	2.559	12	122.2533	12.538	49	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:3:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CHHN)(CCH)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]2)(CCC)(H)	C(CC[6a]H)(CHHN)(CCH)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]2)(CCC)(H)	121.7320	0.000	1	121.7320	0.000	1	121.1162	2.559	12	122.2533	12.538	49	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:3:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-3:C-3:H-1:	C(CC[6a]H)(CHHO)(CCH)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]C)(CCC)(H)	C(CC[6a]H)(CHHO)(CCH)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]C)(CCC)(H)	124.1260	0.000	1	124.1260	0.000	1	121.1162	2.559	12	122.2533	12.538	49	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:3:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-3:C-3:O-1:	C(CC[6a]H)(CH3)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(CCO)(O)	C(CC[6a]H)(CH3)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(CCO)(O)	128.3895	0.675	2	128.3895	0.456	2	125.4947	25.368	3	122.2533	12.538	49	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:3:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-3:C-3:O-1:	C(CC[6a]H)(CH3)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)2(O)	C(CC[6a]H)(CH3)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)2(O)	119.7050	0.000	1	119.7050	0.000	1	125.4947	25.368	3	122.2533	12.538	49	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:3:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-3:N-3:O-1:	C(CC[6a]H)(CH3)(CNO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(NCH)(O)	C(CC[6a]H)(CH3)(CNO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(NCH)(O)	121.7040	2.308	2	121.7040	5.327	2	121.7040	5.327	2	122.2533	12.538	49	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:3:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	N-3:C-3:H-1:	C(CC[6a]H)(CH3)(CHN)	C(C[6a]C[6a]2)(CCC)(H)	C(NPdC)(CCC)(H)	C(CC[6a]H)(CH3)(CHN)	C(C[6a]C[6a]2)(CCC)(H)	C(NPdC)(CCC)(H)	114.4910	0.000	1	114.4910	0.000	1	114.4910	0.000	1	122.2533	12.538	49	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:3:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	N-3:C-3:O-1:	C(CC[6a]H)(CHHS)(CNO)	C(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCC)(O)	C(CC[6a]H)(CHHS)(CNO)	C(C[6a]C[6a]2)(CCC)(H)	C(NC[6a]H)(CCC)(O)	119.4620	4.582	3	119.4620	20.994	3	119.4620	20.994	3	122.2533	12.538	49	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:3:1:	C-3:C-4:C-3:	C[6a]-3:C-3:O-1:	C-3:C-3:H-1:	C(CC[6a]O)(CH3)(CCH)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(COO)(H)	C(CC[6a]O)(CH3)(CCH)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(COO)(H)	117.7950	0.000	1	117.7950	0.000	1	117.7950	0.000	1	122.2533	12.538	49	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:3:1:	C-3:C-4:C-3:	C[6a]-3:C-3:O-1:	C-3:N-3:H-1:	C(CC[6a]O)(CH3)(CHN)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(NCH)(H)	C(CC[6a]O)(CH3)(CHN)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(NCH)(H)	121.0475	0.127	2	121.0475	0.016	2	121.0475	0.016	2	122.2533	12.538	49	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:3:1:	C-3:C-4:C-3:	C[6a]-3:C-3:O-1:	N-3:C-3:H-1:	C(CC[6a]O)(CH3)(CHN)	C(C[6a]C[6a]2)(CCC)(O)	C(NC[6a]H)(CCC)(H)	C(CC[6a]O)(CH3)(CHN)	C(C[6a]C[6a]2)(CCC)(O)	C(NC[6a]H)(CCC)(H)	119.5430	0.000	1	119.5430	0.000	1	119.5430	0.000	1	122.2533	12.538	49	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:3:1:	C-3:C-4:C-3:	N[5]-3:C-3:O-1:	C-3:C-3:H-1:	C(CN[5]O)(CF3)(CCH)	C(N[5]C[5,6a]C[5])(CCC)(O)	C(CCC)(CCO)(H)	C(CN[5]O)(CF3)(CCH)	C(N[5]C[5,6a]C[5])(CCC)(O)	C(CCC)(CCO)(H)	127.2995	0.514	2	127.2995	0.264	2	127.2995	0.264	2	122.2533	12.538	49	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:3:1:	C-3:P-4:C-3:	C[6a]-3:C-3:H-1:	C-3:N-3:O-1:	C(CC[6a]H)(PO3)(CNO)	C(C[6a]C[6a]2)(CCP)(H)	C(CCP)(NHH)(O)	C(CC[6a]H)(PO3)(CNO)	C(C[6a]C[6a]2)(CCP)(H)	C(CCP)(NHH)(O)	124.5510	1.155	3	124.5510	1.334	3	124.5510	1.334	3	122.2533	12.538	49	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:3:2:	C-3:C-4:C-3:	C[6,6]-3:C-3:H-1:	C-3:C-3:O-2:	C(CC[6,6]H)(CCCH)(CCO)	C(C[6,6]C[3x6]C[6,6])(CCC)(H)	C(CCC)2(OH)	C(CC[6,6]H)(CCCH)(CCO)	C(C[6,6]C[3x6]C[6,6])(CCC)(H)	C(CCC)2(OH)	122.0960	0.000	1	122.0960	0.000	1	122.0960	0.000	1	120.9074	6.324	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:3:2:	C-3:C-4:C-3:	C[6]-3:C-3:H-1:	C-3:C-3:O-2:	C(CC[6]H)(CCCH)(CCO)	C(C[6]C[6]2)(CCC)(H)	C(CCC)2(OH)	C(CC[6]H)(CCCH)(CCO)	C(C[6]C[6]2)(CCC)(H)	C(CCC)2(OH)	124.6250	0.000	1	124.6250	0.000	1	124.6250	0.000	1	120.9074	6.324	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:3:2:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-3:C-3:O-2:	C(CC[6a]H)(CCHH)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(CHH)(OC)	C(CC[6a]H)(CCHH)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(CHH)(OC)	118.5480	0.000	1	118.5480	0.000	1	119.2720	1.019	3	120.9074	6.324	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:3:2:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-3:C-3:O-2:	C(CC[6a]H)(CH3)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(CCH)(OC)	C(CC[6a]H)(CH3)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(CCH)(OC)	118.8430	0.000	1	118.8430	0.000	1	119.2720	1.019	3	120.9074	6.324	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:3:2:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-3:C-3:O-2:	C(CC[6a]H)(CH3)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(CHH)(OS)	C(CC[6a]H)(CH3)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(CHH)(OS)	120.4250	0.000	1	120.4250	0.000	1	119.2720	1.019	3	120.9074	6.324	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:3:3:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-3:C-3:C-3:	C(CC[6a]H)(CH3)(CCC)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(CCH)(COO)	C(CC[6a]H)(CH3)(CCC)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(CCH)(COO)	119.5835	1.010	2	119.5835	1.021	2	119.5835	1.021	2	119.9273	0.865	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:3:3:	C-3:C-4:C-3:	C[6a]-3:C-3:O-1:	C-3:C-3:N-3:	C(CC[6a]O)(CH3)(CCN)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(COO)(NCH)	C(CC[6a]O)(CH3)(CCN)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(COO)(NCH)	120.6150	0.000	1	120.6150	0.000	1	120.6150	0.000	1	119.9273	0.865	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:4:3:	C-3:C-4:C-3:	C[6a]-3:C-3:O-1:	C-3:C-4:C-3:	C(CC[6a]O)(CCFF)(CCC)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]O)(CCFF)(CCC)	C(CC[6a]O)(CCFF)(CCC)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]O)(CCFF)(CCC)	117.4615	0.016	2	117.4615	0.000	2	117.4615	0.000	2	121.8540	57.882	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	3:4:3:	C-3:C-4:C-3:	N[5]-3:C-3:O-1:	C-3:C-4:C-3:	C(CN[5]O)(CH3)(CCC)	C(N[5]C[5,6]C[5])(CCC)(O)	C(CC[6]O)(CH3)(CCC)	C(CN[5]O)(CH3)(CCC)	C(N[5]C[5,6]C[5])(CCC)(O)	C(CC[6]O)(CH3)(CCC)	130.6390	0.000	1	130.6390	0.000	1	130.6390	0.000	1	121.8540	57.882	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	4:3:1:	C-3:C-4:C-3:	C[5]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[5]H)(CH3)(CCO)	C(C[5]C[5]2)(CCC)(H)	C(CC[5]HH)(CCC)(O)	C(CC[5]H)(CH3)(CCO)	C(C[5]C[5]2)(CCC)(H)	C(CC[5]HH)(CCC)(O)	120.6940	0.000	1	120.6940	0.000	1	120.6940	0.000	1	118.9430	4.403	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	4:3:1:	C-3:C-4:C-3:	C[5]-3:C-3:O-1:	C-4:C-3:H-1:	C(CC[5]O)(CH3)(CCH)	C(C[5]C[5,5]C[5])(CCC)(O)	C(CCHH)(CCC)(H)	C(CC[5]O)(CH3)(CCH)	C(C[5]C[5,5]C[5])(CCC)(O)	C(CCHH)(CCC)(H)	125.1830	0.000	1	125.1830	0.000	1	120.6403	16.540	3	118.9430	4.403	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	4:3:1:	C-3:C-4:C-3:	C[5]-3:C-3:O-1:	C-4:C-3:H-1:	C(CC[5]O)(CH3)(CCH)	C(C[5]C[5]2)(CCC)(O)	C(CCCH)(CCC)(H)	C(CC[5]O)(CH3)(CCH)	C(C[5]C[5]2)(CCC)(O)	C(CCCH)(CCC)(H)	118.3690	1.458	2	118.3690	2.126	2	120.6403	16.540	3	118.9430	4.403	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	4:3:1:	C-3:C-4:C-3:	C[5a]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[5a]H)(CCHH)(CCO)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CCHH)(CCC)(O)	C(CC[5a]H)(CCHH)(CCO)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CCHH)(CCC)(O)	117.1210	0.000	1	117.1210	0.000	1	117.1210	0.000	1	118.9430	4.403	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	4:3:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[6a]H)(CCHH)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCHH)(CCC)(O)	C(CC[6a]H)(CCHH)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCHH)(CCC)(O)	116.9395	1.820	4	116.9395	3.313	4	119.1414	4.241	12	118.9430	4.403	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	4:3:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[6a]H)(CCHH)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C(CH3)(CCC)(O)	C(CC[6a]H)(CCHH)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C(CH3)(CCC)(O)	120.7810	0.266	2	120.7810	0.071	2	119.1414	4.241	12	118.9430	4.403	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	4:3:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[6a]H)(CH3)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C(CH3)(CCC)(O)	C(CC[6a]H)(CH3)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C(CH3)(CCC)(O)	118.7255	0.395	2	118.7255	0.156	2	119.1414	4.241	12	118.9430	4.403	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	4:3:1:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[6a]H)(CHHO)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C(CH3)(CCC)(O)	C(CC[6a]H)(CHHO)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C(CH3)(CCC)(O)	120.7315	0.646	4	120.7315	0.418	4	119.1414	4.241	12	118.9430	4.403	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	4:3:1:	C-3:C-4:C-3:	C[6a]-3:C-3:O-1:	C-4:C-3:H-1:	C(CC[6a]O)(CCHH)(CCH)	C(C[6a]C[6a]2)(CCC)(O)	C(CCHH)(CCC)(H)	C(CC[6a]O)(CCHH)(CCH)	C(C[6a]C[6a]2)(CCC)(O)	C(CCHH)(CCC)(H)	120.0050	0.000	1	120.0050	0.000	1	119.4495	1.465	6	118.9430	4.403	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	4:3:1:	C-3:C-4:C-3:	C[6a]-3:C-3:O-1:	C-4:C-3:H-1:	C(CC[6a]O)(CH3)(CCH)	C(C[6a]C[6a,6a]C[6a])(CCC)(O)	C(CCHH)(CCC)(H)	C(CC[6a]O)(CH3)(CCH)	C(C[6a]C[6a,6a]C[6a])(CCC)(O)	C(CCHH)(CCC)(H)	121.2080	0.000	1	121.2080	0.000	1	119.4495	1.465	6	118.9430	4.403	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	4:3:1:	C-3:C-4:C-3:	C[6a]-3:C-3:O-1:	C-4:C-3:H-1:	C(CC[6a]O)(CH3)(CCH)	C(C[6a]C[6a,6a]C[6a])(CCC)(O)	C(CH3)(CCC)(H)	C(CC[6a]O)(CH3)(CCH)	C(C[6a]C[6a,6a]C[6a])(CCC)(O)	C(CH3)(CCC)(H)	119.8410	0.000	1	119.8410	0.000	1	119.4495	1.465	6	118.9430	4.403	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	4:3:1:	C-3:C-4:C-3:	C[6a]-3:C-3:O-1:	C-4:C-3:H-1:	C(CC[6a]O)(CH3)(CCH)	C(C[6a]C[6a]2)(CCC)(O)	C(CCHH)(CCC)(H)	C(CC[6a]O)(CH3)(CCH)	C(C[6a]C[6a]2)(CCC)(O)	C(CCHH)(CCC)(H)	118.0800	0.132	2	118.0800	0.017	2	119.4495	1.465	6	118.9430	4.403	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	4:3:1:	C-3:C-4:C-3:	C[6a]-3:C-3:O-1:	C-4:C-3:H-1:	C(CC[6a]O)(CHHN)(CCH)	C(C[6a]C[6a]2)(CCC)(O)	C(CCHH)(CCC)(H)	C(CC[6a]O)(CHHN)(CCH)	C(C[6a]C[6a]2)(CCC)(O)	C(CCHH)(CCC)(H)	119.4830	0.000	1	119.4830	0.000	1	119.4495	1.465	6	118.9430	4.403	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	4:3:1:	C-3:C-4:C-3:	N[5]-3:C-3:O-1:	C-4:C-3:H-1:	C(CN[5]O)(CH3)(CCH)	C(N[5]C[5]2)(CCC)(O)	C(CBrCH)(CCC)(H)	C(CN[5]O)(CH3)(CCH)	C(N[5]C[5]2)(CCC)(O)	C(CBrCH)(CCC)(H)	119.2040	0.000	1	119.2040	0.000	1	117.5515	2.346	8	118.9430	4.403	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	4:3:1:	C-3:C-4:C-3:	N[5]-3:C-3:O-1:	C-4:C-3:H-1:	C(CN[5]O)(CH3)(CCH)	C(N[5]C[5]2)(CCC)(O)	C(CCCH)(CCC)(H)	C(CN[5]O)(CH3)(CCH)	C(N[5]C[5]2)(CCC)(O)	C(CCCH)(CCC)(H)	117.3664	1.559	5	117.3664	2.430	5	117.5515	2.346	8	118.9430	4.403	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	4:3:1:	C-3:C-4:C-3:	N[5]-3:C-3:O-1:	C-4:C-3:H-1:	C(CN[5]O)(CH3)(CCH)	C(N[5]C[5]2)(CCC)(O)	C(CCHS)(CCC)(H)	C(CN[5]O)(CH3)(CCH)	C(N[5]C[5]2)(CCC)(O)	C(CCHS)(CCC)(H)	115.8590	0.000	1	115.8590	0.000	1	117.5515	2.346	8	118.9430	4.403	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	4:3:1:	C-3:C-4:C-3:	N[5]-3:C-3:O-1:	C-4:C-3:H-1:	C(CN[5]O)(CH3)(CCH)	C(N[5]C[5]2)(CCC)(O)	C(CF3)(CCC)(H)	C(CN[5]O)(CH3)(CCH)	C(N[5]C[5]2)(CCC)(O)	C(CF3)(CCC)(H)	118.5170	0.000	1	118.5170	0.000	1	117.5515	2.346	8	118.9430	4.403	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	4:3:1:	C-3:C-4:C-3:	P[4]-3:C-3:O-1:	C-4:C-3:H-1:	C(CP[4]O)(CC3)(CCH)	C(P[4]C[4]2)(CCC)(O)	C(CC3)(CCC)(H)	C(CP[4]O)(CC3)(CCH)	C(P[4]C[4]2)(CCC)(O)	C(CC3)(CCC)(H)	119.6330	0.000	1	119.6330	0.000	1	119.6330	0.000	1	118.9430	4.403	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:1:	4:4:3:	C-3:C-4:C-3:	C[6a]-3:C-3:O-1:	C-4:C-4:C-3:	C(CC[6a]O)(CH3)(CCC)	C(C[6a]C[6a]2)(CCC)(O)	C(CHHO)(CF3)(CCC)	C(CC[6a]O)(CH3)(CCC)	C(C[6a]C[6a]2)(CCC)(O)	C(CHHO)(CF3)(CCC)	124.0280	0.000	1	124.0280	0.000	1	124.0280	0.000	1	124.0280	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:2:	3:2:1:	C-3:C-4:C-3:	C[6a]-3:C-3:O-2:	C-3:O-2:O-1:	C(CC[6a]O)(CIrCH)(COO)	C(C[6a]C[6a]2)(CCC)(OIr)	C(CCC)(OC)(O)	C(CC[6a]O)(CIrCH)(COO)	C(C[6a]C[6a]2)(CCC)(OIr)	C(CCC)(OC)(O)	124.0560	0.000	1	124.0560	0.000	1	124.0560	0.000	1	124.0560	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:2:	3:3:1:	C-3:C-4:C-3:	N[5]-3:C-3:O-2:	C-3:C-3:H-1:	C(CN[5]O)(CH3)(CCH)	C(N[5]C[5]2)(CCC)(OSi)	C(CCC)(CHH)(H)	C(CN[5]O)(CH3)(CCH)	C(N[5]C[5]2)(CCC)(OSi)	C(CCC)(CHH)(H)	120.6390	0.000	1	120.6390	0.000	1	120.6390	0.000	1	120.6390	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:2:	4:3:3:	C-3:C-4:C-3:	C[6]-3:C-3:O-2:	C-4:C-3:C-3:	C(CC[6]O)(CH3)(CCC)	C(C[6]C[6]2)(CCC)(OH)	C(CCHH)(CCC)(CHO)	C(CC[6]O)(CH3)(CCC)	C(C[6]C[6]2)(CCC)(OH)	C(CCHH)(CCC)(CHO)	119.2670	0.013	2	119.2670	0.000	2	119.2670	0.000	2	119.2670	0.000	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:3:	3:1:1:	C-3:C-4:C-3:	C[6a]-3:C-3:C-3:	C-3:H-1:H-1:	C(CC[6a]C)(CH3)(CHH)	C(C[6a]C[6a]2)(CP[6]H)(CCC)	C(CCC)(H)2	C(CC[6a]C)(CH3)(CHH)	C(C[6a]C[6a]2)(CP[6]H)(CCC)	C(CCC)(H)2	121.0950	0.000	1	121.0950	0.000	1	121.0950	0.000	1	121.0950	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:3:	3:2:1:	C-3:C-4:C-3:	C[6a]-3:C-3:N-3:	C-3:O-2:O-1:	C(CC[6a]N)(CCHH)(COO)	C(C[6a]C[6a]2)(CCC)(NCH)	C(CCC)(OC)(O)	C(CC[6a]N)(CCHH)(COO)	C(C[6a]C[6a]2)(CCC)(NCH)	C(CCC)(OC)(O)	124.7600	0.000	1	124.7600	0.000	1	123.9580	1.286	2	123.0417	3.162	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:3:	3:2:1:	C-3:C-4:C-3:	C[6a]-3:C-3:N-3:	C-3:O-2:O-1:	C(CC[6a]N)(CHHN)(COO)	C(C[6a]C[6a]2)(CCC)(NCS)	C(CCC)(OC)(O)	C(CC[6a]N)(CHHN)(COO)	C(C[6a]C[6a]2)(CCC)(NCS)	C(CCC)(OC)(O)	123.1560	0.000	1	123.1560	0.000	1	123.9580	1.286	2	123.0417	3.162	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:3:	3:2:1:	C-3:C-4:C-3:	C[6a]-3:N-3:C-3:	C-3:O-2:O-1:	C(CC[6a]N)(CCHH)(COO)	C(C[6a]C[6a]N[6a])(NC[5a]C[6a])(CCC)	C(CCC)(OC)(O)	C(CC[6a]N)(CCHH)(COO)	C(C[6a]C[6a]N[6a])(NC[5a]C[6a])(CCC)	C(CCC)(OC)(O)	121.2090	0.000	1	121.2090	0.000	1	121.2090	0.000	1	123.0417	3.162	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:3:	3:2:2:	C-3:C-4:C-3:	N[6]-3:C-3:C-3:	C-3:C-2:C-2:	C(CN[6]C)(CH3)(CCC)	C(N[6]C[6,6a]2)(CCC)2	C(CCC)(CN)2	C(CN[6]C)(CH3)(CCC)	C(N[6]C[6,6a]2)(CCC)2	C(CCC)(CN)2	119.0560	0.000	1	119.0560	0.000	1	119.0560	0.000	1	119.0560	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:3:	3:3:1:	C-3:C-4:C-3:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CCHN)(CCH)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CCC)(CCO)(H)	C(CC[6a]C)(CCHN)(CCH)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CCC)(CCO)(H)	127.1280	0.200	3	127.1280	0.040	3	123.2870	18.742	6	123.2876	15.618	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:3:	3:3:1:	C-3:C-4:C-3:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CH3)(CCH)	C(C[6a]C[6a]2)(CCC)(CNO)	C(CCC)(CHH)(H)	C(CC[6a]C)(CH3)(CCH)	C(C[6a]C[6a]2)(CCC)(CNO)	C(CCC)(CHH)(H)	121.2790	0.000	1	121.2790	0.000	1	123.2870	18.742	6	123.2876	15.618	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:3:	3:3:1:	C-3:C-4:C-3:	C[6a]-3:C-3:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CH3)(CCH)	C(C[6a]C[6a]2)(CCC)(CNO)	C(CC[6a]C)(CCC)(H)	C(CC[6a]C)(CH3)(CCH)	C(C[6a]C[6a]2)(CCC)(CNO)	C(CC[6a]C)(CCC)(H)	118.5295	0.267	2	118.5295	0.071	2	123.2870	18.742	6	123.2876	15.618	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:3:	3:3:1:	C-3:C-4:C-3:	C[6a]-3:C-3:C-3:	N-3:C-3:O-1:	C(CC[6a]C)(CCHH)(CNO)	C(C[6a]C[6a]2)(CC[6a]O)(CCC)	C(NC[6a]2)(CCC)(O)	C(CC[6a]C)(CCHH)(CNO)	C(C[6a]C[6a]2)(CC[6a]O)(CCC)	C(NC[6a]2)(CCC)(O)	123.2910	0.000	1	123.2910	0.000	1	123.2910	0.000	1	123.2876	15.618	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:3:	3:4:3:	C-3:C-4:C-3:	C[6a]-3:C-3:C-3:	C-3:C-4:C-3:	C(CC[6a]C)(CH3)(CCC)	C(C[6a]C[6a]2)(CC[6a]B)(CCC)	C(CC[6a]C)(CH3)(CCC)	C(CC[6a]C)(CH3)(CCC)	C(C[6a]C[6a]2)(CC[6a]B)(CCC)	C(CC[6a]C)(CH3)(CCC)	123.7505	0.672	2	123.7505	0.452	2	123.7505	0.452	2	123.7505	0.452	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:3:	4:3:1:	C-3:C-4:C-3:	C[6a]-3:C-3:C-3:	C-4:C-3:Cl-1:	C(CC[6a]C)(CCHH)(CClC)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(CCHH)(CCC)(Cl)	C(CC[6a]C)(CCHH)(CClC)	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(CCHH)(CCC)(Cl)	122.8100	1.496	2	122.8100	2.239	2	122.8100	2.239	2	122.8100	2.239	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:3:3:	4:3:2:	C-3:C-4:C-3:	C-3:C-3:N-3:	Si-4:C-3:C-2:	C(CSiC)(CH3)(CCN)	C(COsH)(CCC)(NOO)	C(SiC3)(CCC)(COs)	C(CSiC)(CH3)(CCN)	C(COsH)(CCC)(NOO)	C(SiC3)(CCC)(COs)	119.1170	0.000	1	119.1170	0.000	1	119.1170	0.000	1	119.1170	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:4:3:	3:1:1:	C-3:Si-4:C-3:	C[6a]-3:C-4:C-3:	C-3:H-1:H-1:	C(CC[6a]C)(SiC3)(CHH)	C(C[6a]C[6a,6a]2)(CHHO)(CSiC)	C(CSiC)(H)2	C(CC[6a]C)(SiC3)(CHH)	C(C[6a]C[6a,6a]2)(CHHO)(CSiC)	C(CSiC)(H)2	122.3585	0.339	2	122.3585	0.115	2	122.3585	0.115	2	122.3585	0.115	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:4:3:	3:2:1:	C-3:C-4:C-3:	C[6a]-3:C-4:C-3:	C-3:O-2:O-1:	C(CC[6a]C)(CHHO)(COO)	C(C[6a]C[6a]2)(CC3)(CCC)	C(CCC)(OC)(O)	C(CC[6a]C)(CHHO)(COO)	C(C[6a]C[6a]2)(CC3)(CCC)	C(CCC)(OC)(O)	120.0330	0.000	1	120.0330	0.000	1	120.0330	0.000	1	119.7010	0.220	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:4:3:	3:2:1:	C-3:Si-4:C-3:	C[6a]-3:Si-4:C-3:	C-3:O-2:O-1:	C(CC[6a]Si)(SiC3)(COO)	C(C[6a]C[6a]2)(SiC[5]ClN)(CSiC)	C(CSiC)(OC)(O)	C(CC[6a]Si)(SiC3)(COO)	C(C[6a]C[6a]2)(SiC[5]ClN)(CSiC)	C(CSiC)(OC)(O)	119.3690	0.000	1	119.3690	0.000	1	119.3690	0.000	1	119.7010	0.220	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:4:3:	3:3:1:	C-3:C-4:C-3:	C-3:C-4:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]H)(CPdHH)(CCC)	C(CC[6a]H)(CPdHH)(CCC)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]H)(CPdHH)(CCC)	C(CC[6a]H)(CPdHH)(CCC)	C(C[6a]C[6a]2)(CCC)(H)	119.7050	0.000	1	119.7050	0.000	1	119.7050	0.000	1	120.8640	2.511	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:4:3:	3:3:1:	C-3:C-4:C-3:	C[6a]-3:C-4:C-3:	C-3:C-3:H-1:	C(CC[6a]C)(CHHN)(CCH)	C(C[6a]C[6a]2)(CH3)(CCC)	C(CC[6a]2)(CCC)(H)	C(CC[6a]C)(CHHN)(CCH)	C(C[6a]C[6a]2)(CH3)(CCC)	C(CC[6a]2)(CCC)(H)	121.3980	0.000	1	121.3980	0.000	1	121.3980	0.000	1	120.8640	2.511	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:4:3:	3:3:1:	C-3:C-4:C-3:	C[6a]-3:C-4:C-3:	C-3:N-3:O-1:	C(CC[6a]C)(CCHH)(CNO)	C(C[6a]C[6a]2)(CCHH)(CCC)	C(CCC)(NCH)(O)	C(CC[6a]C)(CCHH)(CNO)	C(C[6a]C[6a]2)(CCHH)(CCC)	C(CCC)(NCH)(O)	123.0940	0.000	1	123.0940	0.000	1	123.0940	0.000	1	120.8640	2.511	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:4:3:	3:3:1:	C-3:C-4:C-3:	N[5]-3:C-4:C-3:	C-3:C-3:H-1:	C(CN[5]C)(CH3)(CCH)	C(N[5]C[5]2)(CC[6a]CH)(CCC)	C(CCC)2(H)	C(CN[5]C)(CH3)(CCH)	C(N[5]C[5]2)(CC[6a]CH)(CCC)	C(CCC)2(H)	121.0990	0.000	1	121.0990	0.000	1	121.0990	0.000	1	120.8640	2.511	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:4:3:	3:3:1:	C-3:Si-4:C-3:	C[6a]-3:C-4:C-3:	C-3:N-3:O-1:	C(CC[6a]C)(SiC3)(CNO)	C(C[6a]C[6a]2)(CC[5]HH)(CSiC)	C(CSiC)(NCH)(O)	C(CC[6a]C)(SiC3)(CNO)	C(C[6a]C[6a]2)(CC[5]HH)(CSiC)	C(CSiC)(NCH)(O)	119.0240	0.000	1	119.0240	0.000	1	119.0240	0.000	1	120.8640	2.511	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:4:3:	3:3:3:	C-3:C-4:C-3:	C-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(CC[6a]2)(CBrHH)(CCC)	C(CC[6a]2)(CBrHH)(CCC)	C(C[6a]C[6a]2)2(CCC)	C(CC[6a]2)(CBrHH)(CCC)	C(CC[6a]2)(CBrHH)(CCC)	C(C[6a]C[6a]2)2(CCC)	125.5910	0.735	2	125.5910	0.541	2	125.5910	0.541	2	124.6935	1.254	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:4:3:	3:3:3:	C-3:C-4:C-3:	C[6]-3:C-4:C-3:	C-3:C-3:C-3:	C(CC[6]C)(CCFF)(CCC)	C(C[6]N[6]2)(CCHH)(CCC)	C(CC[6a]O)(CCC)(COO)	C(CC[6]C)(CCFF)(CCC)	C(C[6]N[6]2)(CCHH)(CCC)	C(CC[6a]O)(CCC)(COO)	123.7960	0.013	2	123.7960	0.000	2	123.7960	0.000	2	124.6935	1.254	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	3:4:3:	4:3:1:	C-3:C-4:C-3:	C[5]-3:C-4:C-3:	C-4:C-3:H-1:	C(CC[5]C)(CH3)(CCH)	C(C[5]C[5]S[5])(CC3)(CCC)	C(CHHO)(CCC)(H)	C(CC[5]C)(CH3)(CCH)	C(C[5]C[5]S[5])(CC3)(CCC)	C(CHHO)(CCC)(H)	121.2660	0.000	1	121.2660	0.000	1	121.2660	0.000	1	121.2660	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	4:3:1:	3:2:1:	C-3:C-4:C-3:	C[4]-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[4]H)(CH3)(COO)	C(C[4]C[4]2H)(CCC)(H)	C(CCC)(OH)(O)	C(CC[4]H)(CH3)(COO)	C(C[4]C[4]2H)(CCC)(H)	C(CCC)(OH)(O)	121.9115	0.764	2	121.9115	0.584	2	121.9115	0.584	2	119.7665	5.909	10	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	4:3:1:	3:2:1:	C-3:C-4:C-3:	C[6,6]-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[6,6]H)(CC[5]HH)(COO)	C(C[6,6]C[5,6,6]C[6,6]H)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6,6]H)(CC[5]HH)(COO)	C(C[6,6]C[5,6,6]C[6,6]H)(CCC)(H)	C(CCC)(OC)(O)	113.4630	0.000	1	113.4630	0.000	1	113.4630	0.000	1	119.7665	5.909	10	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	4:3:1:	3:2:1:	C-3:C-4:C-3:	C[6]-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[6]H)(CCHH)(COO)	C(C[6]C[6]2H)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6]H)(CCHH)(COO)	C(C[6]C[6]2H)(CCC)(H)	C(CCC)(OC)(O)	120.4090	0.137	2	120.4090	0.019	2	120.0541	0.514	7	119.7665	5.909	10	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	4:3:1:	3:2:1:	C-3:C-4:C-3:	C[6]-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[6]H)(CCHH)(COO)	C(C[6]C[6]2H)(CCC)(H)	C(CCC)(OH)(O)	C(CC[6]H)(CCHH)(COO)	C(C[6]C[6]2H)(CCC)(H)	C(CCC)(OH)(O)	119.5493	0.897	3	119.5493	0.804	3	120.0541	0.514	7	119.7665	5.909	10	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	4:3:1:	3:2:1:	C-3:C-4:C-3:	C[6]-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[6]H)(CH3)(COO)	C(C[6]C[6,6a]C[6]H)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6]H)(CH3)(COO)	C(C[6]C[6,6a]C[6]H)(CCC)(H)	C(CCC)(OC)(O)	120.6990	0.000	1	120.6990	0.000	1	120.0541	0.514	7	119.7665	5.909	10	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	4:3:1:	3:2:1:	C-3:C-4:C-3:	C[6]-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[6]H)(CHHO)(COO)	C(C[6]C[6]2H)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6]H)(CHHO)(COO)	C(C[6]C[6]2H)(CCC)(H)	C(CCC)(OC)(O)	120.2140	0.000	1	120.2140	0.000	1	120.0541	0.514	7	119.7665	5.909	10	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	4:3:1:	3:3:1:	C-3:C-4:C-3:	C[3]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[3]H)(CCHO)(CCH)	C(C[3]C[3]2H)(CCC)(H)	C(CCC)(CCH)(H)	C(CC[3]H)(CCHO)(CCH)	C(C[3]C[3]2H)(CCC)(H)	C(CCC)(CCH)(H)	126.0390	0.000	1	126.0390	0.000	1	126.0390	0.000	1	119.0821	10.238	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	4:3:1:	3:3:1:	C-3:C-4:C-3:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CH3)(CCH)	C(C[6]C[5,6]C[6]C)(CCC)(H)	C(CCC)(CCH)(H)	C(CC[6]H)(CH3)(CCH)	C(C[6]C[5,6]C[6]C)(CCC)(H)	C(CCC)(CCH)(H)	117.6135	0.924	4	117.6135	0.854	4	117.9227	0.993	6	119.0821	10.238	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	4:3:1:	3:3:1:	C-3:C-4:C-3:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CH3)(CCH)	C(C[6]C[6]2C)(CCC)(H)	C(CCC)(CCH)(H)	C(CC[6]H)(CH3)(CCH)	C(C[6]C[6]2C)(CCC)(H)	C(CCC)(CCH)(H)	117.7480	0.000	1	117.7480	0.000	1	117.9227	0.993	6	119.0821	10.238	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	4:3:1:	3:3:1:	C-3:C-4:C-3:	C[6]-4:C-3:H-1:	C-3:C-3:H-1:	C(CC[6]H)(CSiCH)(CCH)	C(C[6]C[6]2H)(CCC)(H)	C(CC[6a]C)(CCC)(H)	C(CC[6]H)(CSiCH)(CCH)	C(C[6]C[6]2H)(CCC)(H)	C(CC[6a]C)(CCC)(H)	119.3340	0.000	1	119.3340	0.000	1	117.9227	0.993	6	119.0821	10.238	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	4:3:1:	3:4:3:	C-3:C-4:C-3:	C[6]-4:C-3:O-1:	C-3:C-4:C-3:	C(CC[6]O)(CH3)(CCC)	C(C[6]C[5,6]C[6]H)(CCC)(O)	C(CN[5]O)(CH3)(CCC)	C(CC[6]O)(CH3)(CCC)	C(C[6]C[5,6]C[6]H)(CCC)(O)	C(CN[5]O)(CH3)(CCC)	127.2560	0.000	1	127.2560	0.000	1	127.2560	0.000	1	127.2560	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	4:3:1:	4:3:1:	C-3:C-4:C-3:	C[4,5]-4:C-3:O-1:	C-4:C-3:H-1:	C(CC[4,5]O)(CH3)(CCH)	C(C[4,5]C[4,5,5,6]C[4,3x5]H)(CCC)(O)	C(CCHH)(CCC)(H)	C(CC[4,5]O)(CH3)(CCH)	C(C[4,5]C[4,5,5,6]C[4,3x5]H)(CCC)(O)	C(CCHH)(CCC)(H)	124.7360	0.000	1	124.7360	0.000	1	124.7360	0.000	1	123.1665	4.927	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	4:3:1:	4:3:1:	C-3:C-4:C-3:	C[5]-4:C-3:H-1:	C-4:C-3:O-1:	C(CC[5]H)(CH3)(CCO)	C(C[5]C[5]O[5]H)(CCC)(H)	C(CCHH)(CCC)(O)	C(CC[5]H)(CH3)(CCO)	C(C[5]C[5]O[5]H)(CCC)(H)	C(CCHH)(CCC)(O)	121.5970	0.000	1	121.5970	0.000	1	121.5970	0.000	1	123.1665	4.927	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	4:3:1:	4:3:3:	C-3:C-4:C-3:	Si-4:C-3:H-1:	C-4:C-3:C-3:	C(CSiH)(CH3)(CCC)	C(SiIrCC)(CCC)(H)	C(CH3)(CCC)(CHH)	C(CSiH)(CH3)(CCC)	C(SiIrCC)(CCC)(H)	C(CH3)(CCC)(CHH)	122.2380	0.000	1	122.2380	0.000	1	122.2380	0.000	1	122.2380	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	4:3:1:	4:4:3:	C-3:C-4:C-3:	C[3]-4:C-3:O-1:	C-4:C-4:C-3:	C(CC[3]O)(CCHH)(CCC)	C(C[3]C[3]O[3]H)(CCC)(O)	C(CH3)2(CCC)	C(CC[3]O)(CCHH)(CCC)	C(C[3]C[3]O[3]H)(CCC)(O)	C(CH3)2(CCC)	121.1260	0.386	3	121.1260	0.149	3	121.1260	0.149	3	121.1260	0.149	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	4:3:3:	3:2:1:	C-3:C-4:C-3:	C[5]-4:C-3:C-3:	C-3:O-2:O-1:	C(CC[5]C)(CCCH)(COO)	C(C[5]C[5,5]C[5]H)(CCC)(COO)	C(CCC)(OH)(O)	C(CC[5]C)(CCCH)(COO)	C(C[5]C[5,5]C[5]H)(CCC)(COO)	C(CCC)(OH)(O)	121.2700	0.000	1	121.2700	0.000	1	121.2700	0.000	1	121.2700	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	4:3:3:	3:3:1:	C-3:C-4:C-3:	Si-4:C-3:C-3:	C-3:C-3:H-1:	C(CSiC)(CH3)(CCH)	C(SiC3)(COsH)(CCC)	C(COsO)(CCC)(H)	C(CSiC)(CH3)(CCH)	C(SiC3)(COsH)(CCC)	C(COsO)(CCC)(H)	123.6400	0.000	1	123.6400	0.000	1	123.6400	0.000	1	123.6400	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	4:4:3:	3:1:1:	C-3:C-4:C-3:	C[6]-4:C-4:C-3:	C-3:O-1:O-1:	C(CC[6]C)(CSiHH)(COO)	C(C[6]C[6]2H)(CH3)(CCC)	C(CCC)(O)2	C(CC[6]C)(CSiHH)(COO)	C(C[6]C[6]2H)(CH3)(CCC)	C(CCC)(O)2	120.4900	0.774	2	120.4900	0.598	2	120.4900	0.598	2	120.4900	0.598	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:4:3:	6:3:1:	3:3:1:	C-3:C-4:C-3:	C[5x3,5x5,20x6]-6:C-3:H-1:	C-3:C-3:H-1:	C(CC[5x3,5x5,20x6]H)(CH3)(CCH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCC)(H)	C(CCC)(CCO)(H)	C(CC[5x3,5x5,20x6]H)(CH3)(CCH)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CCC)(H)	C(CCC)(CCO)(H)	127.9140	0.000	1	127.9140	0.000	1	127.9140	0.000	1	127.9140	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	3:6:3:	3:3:1:	3:2:1:	C-3:S-6:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]H)(SF5)(COO)	C(C[6a]C[6a]2)(CCS)(H)	C(CCS)(OC)(O)	C(CC[6a]H)(SF5)(COO)	C(C[6a]C[6a]2)(CCS)(H)	C(CCS)(OC)(O)	114.7010	0.000	1	114.7010	0.000	1	114.7010	0.000	1	114.7010	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	2:3:1:	3:1:1:	C-4:C-3:C-3:	N-2:C-3:H-1:	C-3:H-1:H-1:	C(CCHH)(CHH)(CHN)	C(NN[6])(CCC)(H)	C(CCC)(H)2	C(CCHH)(CHH)(CHN)	C(NN[6])(CCC)(H)	C(CCC)(H)2	119.6360	0.238	2	119.6360	0.056	2	119.6360	0.056	2	118.8193	5.842	20	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	2:3:1:	3:1:1:	C-4:C-3:C-3:	O-2:C-3:O-1:	C-3:H-1:H-1:	C(CCCH)(CHH)(COO)	C(OC[5])(CCC)(O)	C(CCC)(H)2	C(CCCH)(CHH)(COO)	C(OC[5])(CCC)(O)	C(CCC)(H)2	116.2798	0.713	6	116.2798	0.508	6	118.7286	6.439	18	118.8193	5.842	20	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	2:3:1:	3:1:1:	C-4:C-3:C-3:	O-2:C-3:O-1:	C-3:H-1:H-1:	C(CH3)(CHH)(COO)	C(OC[5])(CCC)(O)	C(CCC)(H)2	C(CH3)(CHH)(COO)	C(OC[5])(CCC)(O)	C(CCC)(H)2	120.8770	0.000	1	120.8770	0.000	1	118.7286	6.439	18	118.8193	5.842	20	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	2:3:1:	3:1:1:	C-4:C-3:C-3:	O-2:C-3:O-1:	C-3:H-1:H-1:	C(CH3)(CHH)(COO)	C(OC[6,6])(CCC)(O)	C(CCC)(H)2	C(CH3)(CHH)(COO)	C(OC[6,6])(CCC)(O)	C(CCC)(H)2	117.3010	0.000	1	117.3010	0.000	1	118.7286	6.439	18	118.8193	5.842	20	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	2:3:1:	3:1:1:	C-4:C-3:C-3:	O-2:C-3:O-1:	C-3:H-1:H-1:	C(CH3)(CHH)(COO)	C(OC[6a])(CCC)(O)	C(CCC)(H)2	C(CH3)(CHH)(COO)	C(OC[6a])(CCC)(O)	C(CCC)(H)2	119.7401	2.351	8	119.7401	5.526	8	118.7286	6.439	18	118.8193	5.842	20	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	2:3:1:	3:1:1:	C-4:C-3:C-3:	O-2:C-3:O-1:	C-3:H-1:H-1:	C(CH3)(CHH)(COO)	C(ON[5])(CCC)(O)	C(CCC)(H)2	C(CH3)(CHH)(COO)	C(ON[5])(CCC)(O)	C(CCC)(H)2	121.3970	0.000	1	121.3970	0.000	1	118.7286	6.439	18	118.8193	5.842	20	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	2:3:1:	3:1:1:	C-4:C-3:C-3:	O-2:C-3:O-1:	C-3:H-1:H-1:	C(CHHO)(CHH)(COO)	C(OC[6])(CCC)(O)	C(CCC)(H)2	C(CHHO)(CHH)(COO)	C(OC[6])(CCC)(O)	C(CCC)(H)2	121.9390	0.000	1	121.9390	0.000	1	118.7286	6.439	18	118.8193	5.842	20	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	2:3:1:	3:2:1:	P-4:C-3:C-3:	N-2:C-3:O-1:	C-3:O-2:O-1:	C(PC[6a]3)(CNO)(COO)	C(NC[6a])(CCP)(O)	C(CCP)(OC)(O)	C(PC[6a]3)(CNO)(COO)	C(NC[6a])(CCP)(O)	C(CCP)(OC)(O)	122.0460	0.000	1	122.0460	0.000	1	122.0460	0.000	1	122.0460	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	2:3:1:	4:3:1:	C-4:C-3:C-3:	C-2:C-3:H-1:	C-4:C-3:H-1:	C(CH3)(CCH)2	C(CC[6])(CCC)(H)	C(CHHS)(CCC)(H)	C(CH3)(CCH)2	C(CC[6])(CCC)(H)	C(CHHS)(CCC)(H)	119.0370	0.354	4	119.0370	0.126	4	119.0370	0.126	4	120.1128	3.486	26	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	2:3:1:	4:3:1:	C-4:C-3:C-3:	N-2:C-3:O-1:	C-4:C-3:H-1:	C(CH3)(CCH)(CNO)	C(NC[6a])(CCC)(O)	C(CH3)(CCC)(H)	C(CH3)(CCH)(CNO)	C(NC[6a])(CCC)(O)	C(CH3)(CCC)(H)	121.3170	0.000	1	121.3170	0.000	1	121.3170	0.000	1	120.1128	3.486	26	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	2:3:1:	4:3:1:	C-4:C-3:C-3:	O-2:C-3:O-1:	C-4:C-3:H-1:	C(CH3)(CCH)(COO)	C(OC[5,6])(CCC)(O)	C(CH3)(CCC)(H)	C(CH3)(CCH)(COO)	C(OC[5,6])(CCC)(O)	C(CH3)(CCC)(H)	120.8085	0.084	2	120.8085	0.007	2	120.2604	4.011	21	120.1128	3.486	26	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	2:3:1:	4:3:1:	C-4:C-3:C-3:	O-2:C-3:O-1:	C-4:C-3:H-1:	C(CH3)(CCH)(COO)	C(OC[5])(CCC)(O)	C(CH3)(CCC)(H)	C(CH3)(CCH)(COO)	C(OC[5])(CCC)(O)	C(CH3)(CCC)(H)	121.4230	0.000	1	121.4230	0.000	1	120.2604	4.011	21	120.1128	3.486	26	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	2:3:1:	4:3:1:	C-4:C-3:C-3:	O-2:C-3:O-1:	C-4:C-3:H-1:	C(CH3)(CCH)(COO)	C(OC[6,6])(CCC)(O)	C(CH3)(CCC)(H)	C(CH3)(CCH)(COO)	C(OC[6,6])(CCC)(O)	C(CH3)(CCC)(H)	120.4930	0.000	1	120.4930	0.000	1	120.2604	4.011	21	120.1128	3.486	26	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	2:3:1:	4:3:1:	C-4:C-3:C-3:	O-2:C-3:O-1:	C-4:C-3:H-1:	C(CH3)(CCH)(COO)	C(OC[6])(CCC)(O)	C(CH3)(CCC)(H)	C(CH3)(CCH)(COO)	C(OC[6])(CCC)(O)	C(CH3)(CCC)(H)	119.7899	1.813	16	119.7899	3.287	16	120.2604	4.011	21	120.1128	3.486	26	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	2:3:1:	4:3:1:	C-4:C-3:C-3:	O-2:C-3:O-1:	C-4:C-3:H-1:	C(CHHO)(CCH)(COO)	C(OC[6])(CCC)(O)	C(CH3)(CCC)(H)	C(CHHO)(CCH)(COO)	C(OC[6])(CCC)(O)	C(CH3)(CCC)(H)	125.2970	0.000	1	125.2970	0.000	1	120.2604	4.011	21	120.1128	3.486	26	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	2:3:2:	3:2:1:	P-4:C-3:C-3:	N-2:C-3:O-2:	C-3:O-2:O-1:	C(PO3)(CNO)(COO)	C(NC[6a])(CCP)(OH)	C(CCP)(OC)(O)	C(PO3)(CNO)(COO)	C(NC[6a])(CCP)(OH)	C(CCP)(OC)(O)	119.2605	0.115	2	119.2605	0.013	2	119.2605	0.013	2	119.2605	0.013	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	2:3:3:	3:2:1:	P-4:C-3:C-3:	N-2:C-3:C-3:	C-3:O-2:O-1:	C(PC[6a]3)(CCN)(COO)	C(NC[6a])(CCP)(COO)	C(CCP)(OC)(O)	C(PC[6a]3)(CCN)(COO)	C(NC[6a])(CCP)(COO)	C(CCP)(OC)(O)	120.3930	2.857	2	120.3930	8.161	2	120.3930	8.161	2	120.3930	8.161	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	2:3:3:	3:3:1:	C-4:C-3:C-3:	O-2:C-3:C-3:	C-3:C-3:H-1:	C(CH3)(CCH)(CCO)	C(OC[6a])(CCC)(CCO)	C(CCC)2(H)	C(CH3)(CCH)(CCO)	C(OC[6a])(CCC)(CCO)	C(CCC)2(H)	124.3750	0.000	1	124.3750	0.000	1	124.3750	0.000	1	122.5683	2.471	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	2:3:3:	3:3:1:	C-4:C-3:C-3:	O-2:C-3:N-3:	C-3:C-3:H-1:	C(CCHH)(CCH)(CNO)	C(OC[6a])(CCC)(NCS)	C(CC[6a]H)(CCC)(H)	C(CCHH)(CCH)(CNO)	C(OC[6a])(CCC)(NCS)	C(CC[6a]H)(CCC)(H)	121.6650	0.216	2	121.6650	0.047	2	121.6650	0.047	2	122.5683	2.471	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:1:1:	3:1:1:	C-4:C-3:C-3:	C-3:H-1:H-1:	C-3:O-1:O-1:	C(CC[6]HH)(CHH)(COO)	C(CCC)(H)2	C(CCC)(O)2	C(CC[6]HH)(CHH)(COO)	C(CCC)(H)2	C(CCC)(O)2	118.7020	0.000	1	118.7020	0.000	1	118.7020	0.000	1	117.7237	3.456	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:1:1:	3:1:1:	C-4:C-3:C-3:	C-3:H-1:O-1:	C-3:H-1:H-1:	C(CCCH)(CHH)(CHO)	C(CCC)(H)(O)	C(CCC)(H)2	C(CCCH)(CHH)(CHO)	C(CCC)(H)(O)	C(CCC)(H)2	116.4470	1.123	2	116.4470	1.261	2	116.4900	0.458	4	117.7237	3.456	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:1:1:	3:1:1:	C-4:C-3:C-3:	C-3:H-1:O-1:	C-3:H-1:H-1:	C(CC[5a]C[6a]H)(CHH)(CHO)	C(CCC)(H)(O)	C(CCC)(H)2	C(CC[5a]C[6a]H)(CHH)(CHO)	C(CCC)(H)(O)	C(CCC)(H)2	116.5330	0.327	2	116.5330	0.107	2	116.4900	0.458	4	117.7237	3.456	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:1:1:	3:1:1:	C[5]-4:C-3:C-3:	C-3:H-1:H-1:	C-3:O-1:O-1:	C(C[5]C[5,5]C[6a]O[5])(CHH)(COO)	C(CC[5]C)(H)2	C(CC[5]C)(O)2	C(C[5]C[5,5]C[6a]O[5])(CHH)(COO)	C(CC[5]C)(H)2	C(CC[5]C)(O)2	121.6490	0.000	1	121.6490	0.000	1	121.6490	0.000	1	117.7237	3.456	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:1:1:	3:1:1:	C[5]-4:C-3:C-3:	C-3:H-1:O-1:	C-3:H-1:H-1:	C(C[5]C[5,6a]C[5]O)(CHH)(CHO)	C(CC[5]C)(H)(O)	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]O)(CHH)(CHO)	C(CC[5]C)(H)(O)	C(CC[5]C)(H)2	118.8660	0.000	1	118.8660	0.000	1	118.8660	0.000	1	117.7237	3.456	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:1:1:	3:1:1:	C[6]-4:C-3:C-3:	C-3:H-1:O-1:	C-3:H-1:H-1:	C(C[6]C[6,6a]N[6]H)(CHH)(CHO)	C(CC[6]C)(H)(O)	C(CC[6]C)(H)2	C(C[6]C[6,6a]N[6]H)(CHH)(CHO)	C(CC[6]C)(H)(O)	C(CC[6]C)(H)2	116.1940	0.000	1	116.1940	0.000	1	117.1680	1.897	2	117.7237	3.456	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:1:1:	3:1:1:	C[6]-4:C-3:C-3:	C-3:H-1:O-1:	C-3:H-1:H-1:	C(C[6]C[6]N[6]H)(CHH)(CHO)	C(CC[6]C)(H)(O)	C(CC[6]C)(H)2	C(C[6]C[6]N[6]H)(CHH)(CHO)	C(CC[6]C)(H)(O)	C(CC[6]C)(H)2	118.1420	0.000	1	118.1420	0.000	1	117.1680	1.897	2	117.7237	3.456	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:1:1:	3:3:1:	C-4:C-3:C-3:	C-3:H-1:H-1:	C-3:C-3:H-1:	C(CC3)(CCH)(CHH)	C(CCC)(H)2	C(CCC)2(H)	C(CC3)(CCH)(CHH)	C(CCC)(H)2	C(CCC)2(H)	124.6637	3.884	3	124.6637	15.088	3	124.6637	15.088	3	123.4262	10.444	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:1:1:	3:3:1:	P-4:C-3:C-3:	C-3:H-1:O-1:	C-3:C-3:H-1:	C(PC[6a]3)(CCH)(CHO)	C(CCP)(H)(O)	C(CCP)2(H)	C(PC[6a]3)(CCH)(CHO)	C(CCP)(H)(O)	C(CCP)2(H)	121.5700	0.338	2	121.5700	0.114	2	121.5700	0.114	2	123.4262	10.444	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C-4:C-3:C-3:	C-3:N-2:H-1:	C-3:H-1:O-1:	C(CCHH)(CHN)(CHO)	C(CCC)(NC)(H)	C(CCC)(H)(O)	C(CCHH)(CHN)(CHO)	C(CCC)(NC)(H)	C(CCC)(H)(O)	118.2620	0.000	1	118.2620	0.000	1	118.2620	0.000	1	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C-4:C-3:C-3:	C-3:O-2:H-1:	C-3:H-1:H-1:	C(CH3)(CHH)(CHO)	C(CCC)(OIr)(H)	C(CCC)(H)2	C(CH3)(CHH)(CHO)	C(CCC)(OIr)(H)	C(CCC)(H)2	115.0740	0.000	1	115.0740	0.000	1	116.2767	2.870	3	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C-4:C-3:C-3:	C-3:O-2:H-1:	C-3:H-1:H-1:	C(CH3)(CHH)(CHO)	C(CCC)(ORh)(H)	C(CCC)(H)2	C(CH3)(CHH)(CHO)	C(CCC)(ORh)(H)	C(CCC)(H)2	118.2140	0.000	1	118.2140	0.000	1	116.2767	2.870	3	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C-4:C-3:C-3:	C-3:O-2:H-1:	C-3:H-1:H-1:	C(CH3)(CHH)(CHO)	C(CCC)(ORu)(H)	C(CCC)(H)2	C(CH3)(CHH)(CHO)	C(CCC)(ORu)(H)	C(CCC)(H)2	115.5420	0.000	1	115.5420	0.000	1	116.2767	2.870	3	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(CCCH)(CHH)(COO)	C(CCC)(OC)(O)	C(CCC)(H)2	C(CCCH)(CHH)(COO)	C(CCC)(OC)(O)	C(CCC)(H)2	117.4105	0.909	2	117.4105	0.826	2	119.6216	3.549	93	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(CCCH)(CHH)(COO)	C(CCC)(OH)(O)	C(CCC)(H)2	C(CCCH)(CHH)(COO)	C(CCC)(OH)(O)	C(CCC)(H)2	117.5260	3.198	2	117.5260	10.224	2	119.6216	3.549	93	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(CCHH)(CHH)(COO)	C(CCC)(OC)(O)	C(CCC)(H)2	C(CCHH)(CHH)(COO)	C(CCC)(OC)(O)	C(CCC)(H)2	119.0321	2.377	7	119.0321	5.650	7	119.6216	3.549	93	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(CCHH)(CHH)(COO)	C(CCC)(OH)(O)	C(CCC)(H)2	C(CCHH)(CHH)(COO)	C(CCC)(OH)(O)	C(CCC)(H)2	120.6676	0.702	8	120.6676	0.493	8	119.6216	3.549	93	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(CC[5]CH)(CHH)(COO)	C(CCC)(OC)(O)	C(CCC)(H)2	C(CC[5]CH)(CHH)(COO)	C(CCC)(OC)(O)	C(CCC)(H)2	120.5160	0.000	1	120.5160	0.000	1	119.6216	3.549	93	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(CC[5]HH)(CHH)(COO)	C(CCC)(OC)(O)	C(CCC)(H)2	C(CC[5]HH)(CHH)(COO)	C(CCC)(OC)(O)	C(CCC)(H)2	120.9900	0.021	2	120.9900	0.000	2	119.6216	3.549	93	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(CC[5a]HH)(CHH)(COO)	C(CCC)(OH)(O)	C(CCC)(H)2	C(CC[5a]HH)(CHH)(COO)	C(CCC)(OH)(O)	C(CCC)(H)2	121.0005	0.333	2	121.0005	0.111	2	119.6216	3.549	93	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(CC[5a]HN)(CHH)(COO)	C(CCC)(OC)(O)	C(CCC)(H)2	C(CC[5a]HN)(CHH)(COO)	C(CCC)(OC)(O)	C(CCC)(H)2	117.7380	0.000	1	117.7380	0.000	1	119.6216	3.549	93	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(CC[6]HH)(CHH)(COO)	C(CCC)(OC)(O)	C(CCC)(H)2	C(CC[6]HH)(CHH)(COO)	C(CCC)(OC)(O)	C(CCC)(H)2	121.2550	0.662	2	121.2550	0.438	2	119.6216	3.549	93	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(CC[6a]CH)(CHH)(COO)	C(CCC)(OC)(O)	C(CCC)(H)2	C(CC[6a]CH)(CHH)(COO)	C(CCC)(OC)(O)	C(CCC)(H)2	119.3295	1.751	10	119.3295	3.066	10	119.6216	3.549	93	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(CC[6a]C[5]H)(CHH)(COO)	C(CCC)(OC)(O)	C(CCC)(H)2	C(CC[6a]C[5]H)(CHH)(COO)	C(CCC)(OC)(O)	C(CCC)(H)2	119.5493	1.551	8	119.5493	2.404	8	119.6216	3.549	93	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(CC[6a]C[6]H)(CHH)(COO)	C(CCC)(OC)(O)	C(CCC)(H)2	C(CC[6a]C[6]H)(CHH)(COO)	C(CCC)(OC)(O)	C(CCC)(H)2	120.4655	0.977	2	120.4655	0.954	2	119.6216	3.549	93	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(CC[6a]HH)(CHH)(COO)	C(CCC)(OC)(O)	C(CCC)(H)2	C(CC[6a]HH)(CHH)(COO)	C(CCC)(OC)(O)	C(CCC)(H)2	121.6120	0.000	1	121.6120	0.000	1	119.6216	3.549	93	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(CC[6a]HH)(CHH)(COO)	C(CCC)(OH)(O)	C(CCC)(H)2	C(CC[6a]HH)(CHH)(COO)	C(CCC)(OH)(O)	C(CCC)(H)2	120.4290	0.000	1	120.4290	0.000	1	119.6216	3.549	93	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(CC[6a]HN)(CHH)(COO)	C(CCC)(OC)(O)	C(CCC)(H)2	C(CC[6a]HN)(CHH)(COO)	C(CCC)(OC)(O)	C(CCC)(H)2	117.6550	0.000	1	117.6550	0.000	1	119.6216	3.549	93	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(CC[6a]HO)(CHH)(COO)	C(CCC)(OC)(O)	C(CCC)(H)2	C(CC[6a]HO)(CHH)(COO)	C(CCC)(OC)(O)	C(CCC)(H)2	121.1636	1.719	7	121.1636	2.956	7	119.6216	3.549	93	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(CC[6a]HP)(CHH)(COO)	C(CCC)(OC)(O)	C(CCC)(H)2	C(CC[6a]HP)(CHH)(COO)	C(CCC)(OC)(O)	C(CCC)(H)2	120.6490	0.000	1	120.6490	0.000	1	119.6216	3.549	93	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(CC[6a]HS)(CHH)(COO)	C(CCC)(OC)(O)	C(CCC)(H)2	C(CC[6a]HS)(CHH)(COO)	C(CCC)(OC)(O)	C(CCC)(H)2	122.4370	0.000	1	122.4370	0.000	1	119.6216	3.549	93	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(CH3)(CHH)(COO)	C(CCC)(OC)(O)	C(CCC)(H)2	C(CH3)(CHH)(COO)	C(CCC)(OC)(O)	C(CCC)(H)2	119.0422	2.033	20	119.0422	4.132	20	119.6216	3.549	93	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(CH3)(CHH)(COO)	C(CCC)(OCu)(O)	C(CCC)(H)2	C(CH3)(CHH)(COO)	C(CCC)(OCu)(O)	C(CCC)(H)2	119.3900	0.868	2	119.3900	0.754	2	119.6216	3.549	93	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(CH3)(CHH)(COO)	C(CCC)(OH)(O)	C(CCC)(H)2	C(CH3)(CHH)(COO)	C(CCC)(OH)(O)	C(CCC)(H)2	119.5440	0.000	1	119.5440	0.000	1	119.6216	3.549	93	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(CHHN)(CHH)(COO)	C(CCC)(OC)(O)	C(CCC)(H)2	C(CHHN)(CHH)(COO)	C(CCC)(OC)(O)	C(CCC)(H)2	117.8080	0.990	5	117.8080	0.981	5	119.6216	3.549	93	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(CHHO)(CHH)(COO)	C(CCC)(OC)(O)	C(CCC)(H)2	C(CHHO)(CHH)(COO)	C(CCC)(OC)(O)	C(CCC)(H)2	120.9707	2.840	3	120.9707	8.067	3	119.6216	3.549	93	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(CHHP)(CHH)(COO)	C(CCC)(OH)(O)	C(CCC)(H)2	C(CHHP)(CHH)(COO)	C(CCC)(OH)(O)	C(CCC)(H)2	119.6510	1.215	3	119.6510	1.476	3	119.6216	3.549	93	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C[5]-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(C[5]C[5,5]C[5]H)(CHH)(COO)	C(CC[5]C)(OC)(O)	C(CC[5]C)(H)2	C(C[5]C[5,5]C[5]H)(CHH)(COO)	C(CC[5]C)(OC)(O)	C(CC[5]C)(H)2	120.3760	0.000	1	120.3760	0.000	1	120.1122	3.561	25	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C[5]-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(C[5]C[5,5]C[6a]O[5])(CHH)(COO)	C(CC[5]C)(OC)(O)	C(CC[5]C)(H)2	C(C[5]C[5,5]C[6a]O[5])(CHH)(COO)	C(CC[5]C)(OC)(O)	C(CC[5]C)(H)2	118.5930	0.000	1	118.5930	0.000	1	120.1122	3.561	25	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C[5]-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(C[5]C[5,5]N[5]H)(CHH)(COO)	C(CC[5]C)(OC)(O)	C(CC[5]C)(H)2	C(C[5]C[5,5]N[5]H)(CHH)(COO)	C(CC[5]C)(OC)(O)	C(CC[5]C)(H)2	119.8935	2.638	2	119.8935	6.960	2	120.1122	3.561	25	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C[5]-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(C[5]C[5,6a]C[5]2)(CHH)(COO)	C(CC[5]C)(OC)(O)	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]2)(CHH)(COO)	C(CC[5]C)(OC)(O)	C(CC[5]C)(H)2	119.4285	0.532	4	119.4285	0.284	4	120.1122	3.561	25	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C[5]-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(C[5]C[5,6a]C[5]C)(CHH)(COO)	C(CC[5]C)(OC)(O)	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]C)(CHH)(COO)	C(CC[5]C)(OC)(O)	C(CC[5]C)(H)2	120.1650	0.000	1	120.1650	0.000	1	120.1122	3.561	25	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C[5]-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(C[5]C[5,6a]C[5]C[6])(CHH)(COO)	C(CC[5]C)(OC)(O)	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]C[6])(CHH)(COO)	C(CC[5]C)(OC)(O)	C(CC[5]C)(H)2	121.2360	0.000	1	121.2360	0.000	1	120.1122	3.561	25	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C[5]-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(C[5]C[5,6a]C[5]N)(CHH)(COO)	C(CC[5]C)(OC)(O)	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]N)(CHH)(COO)	C(CC[5]C)(OC)(O)	C(CC[5]C)(H)2	116.8520	0.000	1	116.8520	0.000	1	120.1122	3.561	25	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C[5]-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(C[5]C[5,6a]N[5]H)(CHH)(COO)	C(CC[5]C)(OC)(O)	C(CC[5]C)(H)2	C(C[5]C[5,6a]N[5]H)(CHH)(COO)	C(CC[5]C)(OC)(O)	C(CC[5]C)(H)2	122.1750	0.000	1	122.1750	0.000	1	120.1122	3.561	25	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C[5]-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(COO)	C(CC[5]C)(OC)(O)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CHH)(COO)	C(CC[5]C)(OC)(O)	C(CC[5]C)(H)2	119.4560	0.000	1	119.4560	0.000	1	120.1122	3.561	25	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C[5]-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(C[5]C[5]2H)(CHH)(COO)	C(CC[5]C)(OH)(O)	C(CC[5]C)(H)2	C(C[5]C[5]2H)(CHH)(COO)	C(CC[5]C)(OH)(O)	C(CC[5]C)(H)2	118.5020	0.000	1	118.5020	0.000	1	120.1122	3.561	25	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C[5]-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(C[5]C[5]2O)(CHH)(COO)	C(CC[5]C)(OC)(O)	C(CC[5]C)(H)2	C(C[5]C[5]2O)(CHH)(COO)	C(CC[5]C)(OC)(O)	C(CC[5]C)(H)2	122.8870	0.000	1	122.8870	0.000	1	120.1122	3.561	25	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C[5]-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(C[5]C[5]N[5]H)(CHH)(COO)	C(CC[5]C)(OC)(O)	C(CC[5]C)(H)2	C(C[5]C[5]N[5]H)(CHH)(COO)	C(CC[5]C)(OC)(O)	C(CC[5]C)(H)2	121.5340	0.846	3	121.5340	0.715	3	120.1122	3.561	25	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C[5]-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(C[5]C[5]O[5]H)(CHH)(COO)	C(CC[5]C)(OC)(O)	C(CC[5]C)(H)2	C(C[5]C[5]O[5]H)(CHH)(COO)	C(CC[5]C)(OC)(O)	C(CC[5]C)(H)2	122.2063	0.318	3	122.2063	0.101	3	120.1122	3.561	25	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C[5]-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(C[5]C[5]O[5]O)(CHH)(COO)	C(CC[5]C)(OC)(O)	C(CC[5]C)(H)2	C(C[5]C[5]O[5]O)(CHH)(COO)	C(CC[5]C)(OC)(O)	C(CC[5]C)(H)2	119.5510	0.000	1	119.5510	0.000	1	120.1122	3.561	25	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C[5]-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(C[5]C[6a]C[5]2)(CHH)(COO)	C(CC[5]C)(OC)(O)	C(CC[5]C)(H)2	C(C[5]C[6a]C[5]2)(CHH)(COO)	C(CC[5]C)(OC)(O)	C(CC[5]C)(H)2	120.0430	0.000	1	120.0430	0.000	1	120.1122	3.561	25	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C[5]-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(C[5]C[6a]C[5]O[5])(CHH)(COO)	C(CC[5]C)(OC)(O)	C(CC[5]C)(H)2	C(C[5]C[6a]C[5]O[5])(CHH)(COO)	C(CC[5]C)(OC)(O)	C(CC[5]C)(H)2	115.2000	0.000	1	115.2000	0.000	1	120.1122	3.561	25	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C[5]-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(C[5]N[5,5]C[5]H)(CHH)(COO)	C(CC[5]C)(OC)(O)	C(CC[5]C)(H)2	C(C[5]N[5,5]C[5]H)(CHH)(COO)	C(CC[5]C)(OC)(O)	C(CC[5]C)(H)2	119.0480	0.000	1	119.0480	0.000	1	120.1122	3.561	25	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C[6]-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(C[6]C[5a,6]C[6,6a]H)(CHH)(COO)	C(CC[6]C)(OC)(O)	C(CC[6]C)(H)2	C(C[6]C[5a,6]C[6,6a]H)(CHH)(COO)	C(CC[6]C)(OC)(O)	C(CC[6]C)(H)2	121.2510	0.000	1	121.2510	0.000	1	119.5365	2.801	24	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C[6]-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(COO)	C(CC[6]C)(OC)(O)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CHH)(COO)	C(CC[6]C)(OC)(O)	C(CC[6]C)(H)2	119.4892	1.902	5	119.4892	3.619	5	119.5365	2.801	24	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C[6]-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(COO)	C(CC[6]C)(OC[6a])(O)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CHH)(COO)	C(CC[6]C)(OC[6a])(O)	C(CC[6]C)(H)2	119.5540	0.000	1	119.5540	0.000	1	119.5365	2.801	24	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C[6]-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(C[6]C[6]2H)(CHH)(COO)	C(CC[6]C)(OH)(O)	C(CC[6]C)(H)2	C(C[6]C[6]2H)(CHH)(COO)	C(CC[6]C)(OH)(O)	C(CC[6]C)(H)2	118.8119	1.247	12	118.8119	1.554	12	119.5365	2.801	24	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C[6]-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(C[6]C[6]O[6]H)(CHH)(COO)	C(CC[6]C)(OC)(O)	C(CC[6]C)(H)2	C(C[6]C[6]O[6]H)(CHH)(COO)	C(CC[6]C)(OC)(O)	C(CC[6]C)(H)2	120.5980	2.466	3	120.5980	6.079	3	119.5365	2.801	24	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:1:1:	C[6]-4:C-3:C-3:	C-3:O-2:O-1:	C-3:H-1:H-1:	C(C[6]C[6]O[6]H)(CHH)(COO)	C(CC[6]C)(OH)(O)	C(CC[6]C)(H)2	C(C[6]C[6]O[6]H)(CHH)(COO)	C(CC[6]C)(OH)(O)	C(CC[6]C)(H)2	121.5435	0.046	2	121.5435	0.002	2	119.5365	2.801	24	119.6135	3.612	146	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:2:1:	C-4:C-3:C-3:	C-3:O-2:H-1:	C-3:O-2:O-1:	C(CH3)(CHO)(COO)	C(CCC)(OC)(H)	C(CCC)(OC)(O)	C(CH3)(CHO)(COO)	C(CCC)(OC)(H)	C(CCC)(OC)(O)	118.1325	2.870	2	118.1325	8.238	2	118.1325	8.238	2	120.2134	7.782	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:2:1:	C[3]-4:C-3:C-3:	C-3:C-2:H-1:	C-3:O-2:O-1:	C(C[3]C[3]2H)(CCH)(COO)	C(CC[3]C)(CN)(H)	C(CC[3]C)(OC)(O)	C(C[3]C[3]2H)(CCH)(COO)	C(CC[3]C)(CN)(H)	C(CC[3]C)(OC)(O)	120.8620	0.000	1	120.8620	0.000	1	120.8620	0.000	1	120.2134	7.782	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:2:1:	C[6]-4:C-3:C-3:	C-3:O-2:H-1:	C-3:O-2:O-1:	C(C[6]C[6]2H)(CHO)(COO)	C(CC[6]C)(OC)(H)	C(CC[6]C)(OC)(O)	C(C[6]C[6]2H)(CHO)(COO)	C(CC[6]C)(OC)(H)	C(CC[6]C)(OC)(O)	116.7660	0.000	1	116.7660	0.000	1	116.7660	0.000	1	120.2134	7.782	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:2:1:	P-4:C-3:C-3:	C-3:O-2:O-1:	C-3:O-2:O-1:	C(PC[6a]3)(COO)2	C(CCP)(OC)(O)	C(CCP)(OC)(O)	C(PC[6a]3)(COO)2	C(CCP)(OC)(O)	C(CCP)(OC)(O)	121.6056	2.417	5	121.6056	5.841	5	121.6056	5.841	5	120.2134	7.782	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:3:1:	C-4:C-3:C-3:	C-3:O-2:O-1:	C-3:C-3:H-1:	C(CC3)(CCH)(COO)	C(CCC)(OC)(O)	C(CCC)2(H)	C(CC3)(CCH)(COO)	C(CCC)(OC)(O)	C(CCC)2(H)	118.5790	0.000	1	118.5790	0.000	1	117.6895	1.582	2	117.6895	1.582	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:3:1:	C-4:C-3:C-3:	C-3:O-2:O-1:	C-3:C-3:H-1:	C(CH3)(CCH)(COO)	C(CCC)(OC)(O)	C(CCC)2(H)	C(CH3)(CCH)(COO)	C(CCC)(OC)(O)	C(CCC)2(H)	116.8000	0.000	1	116.8000	0.000	1	117.6895	1.582	2	117.6895	1.582	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:3:3:	C-4:C-3:C-3:	C-3:O-2:O-1:	C-3:C-3:C-3:	C(CCHH)(CCC)(COO)	C(CCC)(OC)(O)	C(CCC)2(COO)	C(CCHH)(CCC)(COO)	C(CCC)(OC)(O)	C(CCC)2(COO)	123.6650	0.000	1	123.6650	0.000	1	123.5170	0.044	2	122.8043	1.546	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:3:3:	C-4:C-3:C-3:	C-3:O-2:O-1:	C-3:C-3:C-3:	C(CIrHH)(CCC)(COO)	C(CCC)(OC)(O)	C(CCC)2(COO)	C(CIrHH)(CCC)(COO)	C(CCC)(OC)(O)	C(CCC)2(COO)	123.3690	0.000	1	123.3690	0.000	1	123.5170	0.044	2	122.8043	1.546	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	3:3:3:	P-4:C-3:C-3:	C-3:O-2:O-1:	C-3:C-3:C-3:	C(PC[6a]3)(CCC)(COO)	C(CCP)(OC)(O)	C(CCP)(COO)2	C(PC[6a]3)(CCC)(COO)	C(CCP)(OC)(O)	C(CCP)(COO)2	121.3790	0.000	1	121.3790	0.000	1	121.3790	0.000	1	122.8043	1.546	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:1:	4:3:3:	C-4:C-3:C-3:	C-3:O-2:O-1:	C-4:C-3:C-3:	C(CC[6a]N[5]H)(CCC)(COO)	C(CCC)(OC)(O)	C(CH3)(CCC)2	C(CC[6a]N[5]H)(CCC)(COO)	C(CCC)(OC)(O)	C(CH3)(CCC)2	121.4810	0.000	1	121.4810	0.000	1	121.4810	0.000	1	121.4810	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:2:	3:1:1:	C-4:C-3:C-3:	C-3:O-2:O-2:	C-3:H-1:H-1:	C(CH3)(CHH)(COO)	C(CCC)(OCu)2	C(CCC)(H)2	C(CH3)(CHH)(COO)	C(CCC)(OCu)2	C(CCC)(H)2	118.8259	0.781	14	118.8259	0.610	14	118.8875	0.623	15	118.8875	0.623	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:2:	3:1:1:	C-4:C-3:C-3:	C-3:O-2:O-2:	C-3:H-1:H-1:	C(CH3)(CHH)(COO)	C(CCC)(OMo)2	C(CCC)(H)2	C(CH3)(CHH)(COO)	C(CCC)(OMo)2	C(CCC)(H)2	119.7510	0.000	1	119.7510	0.000	1	118.8875	0.623	15	118.8875	0.623	15	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:2:	3:2:1:	C-4:C-3:C-3:	C-3:O-2:O-2:	C-3:O-2:O-1:	C(CC[6a]HP)(COO)2	C(CCC)(OPd)(OC)	C(CCC)(OC)(O)	C(CC[6a]HP)(COO)2	C(CCC)(OPd)(OC)	C(CCC)(OC)(O)	126.1720	0.000	1	126.1720	0.000	1	126.1720	0.000	1	126.1720	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:3:	3:1:1:	C-4:C-3:C-3:	C-3:S-2:C-3:	C-3:H-1:H-1:	C(CF3)(CCS)(CHH)	C(CC[6a]H)(SC[6a])(CCC)	C(CCC)(H)2	C(CF3)(CCS)(CHH)	C(CC[6a]H)(SC[6a])(CCC)	C(CCC)(H)2	123.4940	0.000	1	123.4940	0.000	1	123.4940	0.000	1	123.4940	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:2:3:	3:2:1:	S-4:C-3:C-3:	C[6a]-3:Se-2:C-3:	C-3:O-2:O-1:	C(SC[6a]OO)(CC[6a]Se)(COO)	C(C[6a]C[6a]2)(SeC[6a])(CCS)	C(CCS)(OC)(O)	C(SC[6a]OO)(CC[6a]Se)(COO)	C(C[6a]C[6a]2)(SeC[6a])(CCS)	C(CCS)(OC)(O)	124.2590	0.000	2	124.2590	0.000	2	124.2590	0.000	2	124.2590	0.000	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	2:3:1:	C-4:C-3:C-3:	N-3:C-3:O-1:	S-2:C-3:H-1:	C(CC[6a]HH)(CHS)(CNO)	C(NC[6a]H)(CCC)(O)	C(SC[6a])(CCC)(H)	C(CC[6a]HH)(CHS)(CNO)	C(NC[6a]H)(CCC)(O)	C(SC[6a])(CCC)(H)	123.1393	0.729	7	123.1393	0.531	7	123.1393	0.531	7	123.1393	0.531	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CCCH)(CCH)(CHH)	C(CCC)(CHH)(H)	C(CCC)(H)2	C(CCCH)(CCH)(CHH)	C(CCC)(CHH)(H)	C(CCC)(H)2	122.8640	0.000	1	122.8640	0.000	1	121.5136	5.552	14	120.6363	7.272	66	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CCCO)(CCH)(CHH)	C(CSeC)(CCC)(H)	C(CCC)(H)2	C(CCCO)(CCH)(CHH)	C(CSeC)(CCC)(H)	C(CCC)(H)2	124.7458	0.287	4	124.7458	0.082	4	121.5136	5.552	14	120.6363	7.272	66	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CCHH)(CCH)(CHH)	C(CCC)(CHH)(H)	C(CCC)(H)2	C(CCHH)(CCH)(CHH)	C(CCC)(CHH)(H)	C(CCC)(H)2	120.5597	1.247	3	120.5597	1.554	3	121.5136	5.552	14	120.6363	7.272	66	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CCHO)(CCH)(CHH)	C(CCC)(CHH)(H)	C(CCC)(H)2	C(CCHO)(CCH)(CHH)	C(CCC)(CHH)(H)	C(CCC)(H)2	119.2810	0.000	1	119.2810	0.000	1	121.5136	5.552	14	120.6363	7.272	66	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CH3)(CCH)(CHH)	C(CBH)(CCC)(H)	C(CCC)(H)2	C(CH3)(CCH)(CHH)	C(CBH)(CCC)(H)	C(CCC)(H)2	120.0240	0.000	1	120.0240	0.000	1	121.5136	5.552	14	120.6363	7.272	66	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CH3)(CCH)(CHH)	C(CCC)(CHP)(H)	C(CCC)(H)2	C(CH3)(CCH)(CHH)	C(CCC)(CHP)(H)	C(CCC)(H)2	119.8825	0.159	2	119.8825	0.025	2	121.5136	5.552	14	120.6363	7.272	66	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CH3)(CCH)(CHH)	C(CC[5]H)(CCC)(H)	C(CCC)(H)2	C(CH3)(CCH)(CHH)	C(CC[5]H)(CCC)(H)	C(CCC)(H)2	119.5240	0.000	1	119.5240	0.000	1	121.5136	5.552	14	120.6363	7.272	66	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(CH3)(CCH)(CHH)	C(COsH)(CCC)(H)	C(CCC)(H)2	C(CH3)(CCH)(CHH)	C(COsH)(CCC)(H)	C(CCC)(H)2	119.0710	0.000	1	119.0710	0.000	1	121.5136	5.552	14	120.6363	7.272	66	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:H-1:O-1:	C(CCHH)(CCH)(CHO)	C(CC[6]H)(CCC)(H)	C(CCC)(H)(O)	C(CCHH)(CCH)(CHO)	C(CC[6]H)(CCC)(H)	C(CCC)(H)(O)	115.3420	0.000	1	115.3420	0.000	1	116.3943	0.918	3	120.6363	7.272	66	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:H-1:O-1:	C(CCHH)(CCH)(CHO)	C(CC[6a]C)(CCC)(H)	C(CCC)(H)(O)	C(CCHH)(CCH)(CHO)	C(CC[6a]C)(CCC)(H)	C(CCC)(H)(O)	116.6240	0.000	1	116.6240	0.000	1	116.3943	0.918	3	120.6363	7.272	66	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:H-1:O-1:	C(CH3)(CCH)(CHO)	C(CCC)(CCH)(H)	C(CCC)(H)(O)	C(CH3)(CCH)(CHO)	C(CCC)(CCH)(H)	C(CCC)(H)(O)	117.2170	0.000	1	117.2170	0.000	1	116.3943	0.918	3	120.6363	7.272	66	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:C-3:	C-3:N-3:O-1:	C-3:H-1:H-1:	C(CCCH)(CHH)(CNO)	C(CCC)(NHH)(O)	C(CCC)(H)2	C(CCCH)(CHH)(CNO)	C(CCC)(NHH)(O)	C(CCC)(H)2	120.3210	0.000	1	120.3210	0.000	1	118.6069	2.698	7	120.6363	7.272	66	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:C-3:	C-3:N-3:O-1:	C-3:H-1:H-1:	C(CH3)(CHH)(CNO)	C(CCC)(NCC)(O)	C(CCC)(H)2	C(CH3)(CHH)(CNO)	C(CCC)(NCC)(O)	C(CCC)(H)2	119.0570	0.000	1	119.0570	0.000	1	118.6069	2.698	7	120.6363	7.272	66	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:C-3:	C-3:N-3:O-1:	C-3:H-1:H-1:	C(CH3)(CHH)(CNO)	C(CCC)(NCH)(O)	C(CCC)(H)2	C(CH3)(CHH)(CNO)	C(CCC)(NCH)(O)	C(CCC)(H)2	118.1740	1.740	5	118.1740	3.027	5	118.6069	2.698	7	120.6363	7.272	66	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:C-3:	C[5]-3:C-3:H-1:	C-3:H-1:H-1:	C(CC[5,6]HH)(CC[5]H)(CHH)	C(C[5]C[5,6]Si[5])(CCC)(H)	C(CCC)(H)2	C(CC[5,6]HH)(CC[5]H)(CHH)	C(C[5]C[5,6]Si[5])(CCC)(H)	C(CCC)(H)2	117.3990	0.000	1	117.3990	0.000	1	117.3990	0.000	1	120.6363	7.272	66	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:H-1:H-1:	C(CC[6a]2H)(CC[6a]O)(CHH)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(H)2	C(CC[6a]2H)(CC[6a]O)(CHH)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(H)2	120.3155	0.699	2	120.3155	0.489	2	120.3155	0.489	2	120.6363	7.272	66	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:C-3:	N-3:C-3:O-1:	C-3:H-1:H-1:	C(CB[6]HH)(CHH)(CNO)	C(NC[6a]H)(CCC)(O)	C(CCC)(H)2	C(CB[6]HH)(CHH)(CNO)	C(NC[6a]H)(CCC)(O)	C(CCC)(H)2	122.9220	0.113	2	122.9220	0.013	2	120.5325	3.044	33	120.6363	7.272	66	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:C-3:	N-3:C-3:O-1:	C-3:H-1:H-1:	C(CCHH)(CHH)(CNO)	C(NC[6a]C)(CCC)(O)	C(CCC)(H)2	C(CCHH)(CHH)(CNO)	C(NC[6a]C)(CCC)(O)	C(CCC)(H)2	120.5485	0.078	2	120.5485	0.006	2	120.5325	3.044	33	120.6363	7.272	66	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:C-3:	N-3:C-3:O-1:	C-3:H-1:H-1:	C(CCHH)(CHH)(CNO)	C(NC[6a]H)(CCC)(O)	C(CCC)(H)2	C(CCHH)(CHH)(CNO)	C(NC[6a]H)(CCC)(O)	C(CCC)(H)2	121.4290	0.000	1	121.4290	0.000	1	120.5325	3.044	33	120.6363	7.272	66	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:C-3:	N-3:C-3:O-1:	C-3:H-1:H-1:	C(CH3)(CHH)(CNO)	C(NC[6]H)(CCC)(O)	C(CCC)(H)2	C(CH3)(CHH)(CNO)	C(NC[6]H)(CCC)(O)	C(CCC)(H)2	121.3725	0.880	2	121.3725	0.775	2	120.5325	3.044	33	120.6363	7.272	66	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:C-3:	N-3:C-3:O-1:	C-3:H-1:H-1:	C(CH3)(CHH)(CNO)	C(NC[6a]C)(CCC)(O)	C(CCC)(H)2	C(CH3)(CHH)(CNO)	C(NC[6a]C)(CCC)(O)	C(CCC)(H)2	121.5543	2.093	6	121.5543	4.380	6	120.5325	3.044	33	120.6363	7.272	66	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:C-3:	N-3:C-3:O-1:	C-3:H-1:H-1:	C(CH3)(CHH)(CNO)	C(NC[6a]C[5])(CCC)(O)	C(CCC)(H)2	C(CH3)(CHH)(CNO)	C(NC[6a]C[5])(CCC)(O)	C(CCC)(H)2	120.4870	0.000	1	120.4870	0.000	1	120.5325	3.044	33	120.6363	7.272	66	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:C-3:	N-3:C-3:O-1:	C-3:H-1:H-1:	C(CH3)(CHH)(CNO)	C(NC[6a]C[6])(CCC)(O)	C(CCC)(H)2	C(CH3)(CHH)(CNO)	C(NC[6a]C[6])(CCC)(O)	C(CCC)(H)2	123.2320	0.045	2	123.2320	0.002	2	120.5325	3.044	33	120.6363	7.272	66	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:C-3:	N-3:C-3:O-1:	C-3:H-1:H-1:	C(CH3)(CHH)(CNO)	C(NC[6a]H)(CCC)(O)	C(CCC)(H)2	C(CH3)(CHH)(CNO)	C(NC[6a]H)(CCC)(O)	C(CCC)(H)2	118.6830	0.000	1	118.6830	0.000	1	120.5325	3.044	33	120.6363	7.272	66	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:C-3:	N-3:C-3:O-1:	C-3:H-1:H-1:	C(CH3)(CHH)(CNO)	C(NC[6a]N)(CCC)(O)	C(CCC)(H)2	C(CH3)(CHH)(CNO)	C(NC[6a]N)(CCC)(O)	C(CCC)(H)2	118.8530	0.000	1	118.8530	0.000	1	120.5325	3.044	33	120.6363	7.272	66	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:C-3:	N-3:C-3:O-1:	C-3:H-1:H-1:	C(CH3)(CHH)(CNO)	C(NC[6a]N[5])(CCC)(O)	C(CCC)(H)2	C(CH3)(CHH)(CNO)	C(NC[6a]N[5])(CCC)(O)	C(CCC)(H)2	118.9000	0.214	2	118.9000	0.046	2	120.5325	3.044	33	120.6363	7.272	66	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:C-3:	N-3:C-3:O-1:	C-3:H-1:H-1:	C(CH3)(CHH)(CNO)	C(NC[6a]N[6a])(CCC)(O)	C(CCC)(H)2	C(CH3)(CHH)(CNO)	C(NC[6a]N[6a])(CCC)(O)	C(CCC)(H)2	120.7200	0.000	1	120.7200	0.000	1	120.5325	3.044	33	120.6363	7.272	66	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:C-3:	N-3:C-3:O-1:	C-3:H-1:H-1:	C(CH3)(CHH)(CNO)	C(NN[5]C)(CCC)(O)	C(CCC)(H)2	C(CH3)(CHH)(CNO)	C(NN[5]C)(CCC)(O)	C(CCC)(H)2	119.3974	0.567	8	119.3974	0.321	8	120.5325	3.044	33	120.6363	7.272	66	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:1:1:	C-4:C-3:C-3:	N-3:C-3:O-1:	C-3:H-1:H-1:	C(CH3)(CHH)(CNO)	C(NN[5]H)(CCC)(O)	C(CCC)(H)2	C(CH3)(CHH)(CNO)	C(NN[5]H)(CCC)(O)	C(CCC)(H)2	119.7368	2.121	4	119.7368	4.497	4	120.5325	3.044	33	120.6363	7.272	66	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:1:1:	C[3x6]-4:C-3:C-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(C[3x6]C[6,6]3)(CCH)(CHH)	C(CC[3x6]C)(CC[6a]H)(H)	C(CC[3x6]C)(H)2	C(C[3x6]C[6,6]3)(CCH)(CHH)	C(CC[3x6]C)(CC[6a]H)(H)	C(CC[3x6]C)(H)2	119.6070	0.049	2	119.6070	0.002	2	119.6070	0.002	2	120.6363	7.272	66	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:1:1:	C[5]-4:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:H-1:H-1:	C(C[5]C[5]2C)(CC[6a]O)(CHH)	C(C[6a]C[6a]2)(CC[5]C)(O)	C(CC[5]C)(H)2	C(C[5]C[5]2C)(CC[6a]O)(CHH)	C(C[6a]C[6a]2)(CC[5]C)(O)	C(CC[5]C)(H)2	121.6480	0.000	1	121.6480	0.000	1	121.6480	0.000	1	120.6363	7.272	66	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:1:1:	P-4:C-3:C-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(PC3)(CCH)(CHH)	C(CC[6a]O)(CCP)(H)	C(CCP)(H)2	C(PC3)(CCH)(CHH)	C(CC[6a]O)(CCP)(H)	C(CCP)(H)2	128.0095	0.091	2	128.0095	0.008	2	128.3027	0.262	3	120.6363	7.272	66	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:1:1:	P-4:C-3:C-3:	C-3:C-3:H-1:	C-3:H-1:H-1:	C(PC[6a]3)(CCH)(CHH)	C(CC[6a]O)(CCP)(H)	C(CCP)(H)2	C(PC[6a]3)(CCH)(CHH)	C(CC[6a]O)(CCP)(H)	C(CCP)(H)2	128.8890	0.000	1	128.8890	0.000	1	128.3027	0.262	3	120.6363	7.272	66	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	B-4:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(BC[5]HH)(CCH)(COO)	C(CBC)(COO)(H)	C(CBC)(OC)(O)	C(BC[5]HH)(CCH)(COO)	C(CBC)(COO)(H)	C(CBC)(OC)(O)	113.7430	0.000	1	113.7430	0.000	1	113.7430	0.000	1	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-2:H-1:	C(CH3)(CCH)2	C(CCC)(CCH)(H)	C(CCC)(CH)(H)	C(CH3)(CCH)2	C(CCC)(CCH)(H)	C(CCC)(CH)(H)	124.7985	4.656	2	124.7985	21.681	2	124.7985	21.681	2	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:N-2:H-1:	C(CC3)(CCH)(CHN)	C(CCC)(CCH)(H)	C(CCC)(NC)(H)	C(CC3)(CCH)(CHN)	C(CCC)(CCH)(H)	C(CCC)(NC)(H)	120.7560	0.000	1	120.7560	0.000	1	119.6905	2.271	2	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:N-2:H-1:	C(CCHO)(CCH)(CHN)	C(CCC)(CCH)(H)	C(CCC)(NN)(H)	C(CCHO)(CCH)(CHN)	C(CCC)(CCH)(H)	C(CCC)(NN)(H)	118.6250	0.000	1	118.6250	0.000	1	119.6905	2.271	2	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CC3)(CCH)(COO)	C(CCC)(COO)(H)	C(CCC)(OIr)(O)	C(CC3)(CCH)(COO)	C(CCC)(COO)(H)	C(CCC)(OIr)(O)	117.8920	0.000	1	117.8920	0.000	1	119.9436	13.131	22	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCCN)(CCH)(COO)	C(CCC)(COO)(H)	C(CCC)(OC)(O)	C(CCCN)(CCH)(COO)	C(CCC)(COO)(H)	C(CCC)(OC)(O)	121.7320	0.000	1	121.7320	0.000	1	119.9436	13.131	22	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCHH)(CCH)(COO)	C(CCC)(CCH)(H)	C(CCC)(OC)(O)	C(CCHH)(CCH)(COO)	C(CCC)(CCH)(H)	C(CCC)(OC)(O)	121.2710	0.000	1	121.2710	0.000	1	119.9436	13.131	22	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCHH)(CCH)(COO)	C(CCC)(COO)(H)	C(CCC)(OC)(O)	C(CCHH)(CCH)(COO)	C(CCC)(COO)(H)	C(CCC)(OC)(O)	121.7110	0.000	1	121.7110	0.000	1	119.9436	13.131	22	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCHH)(CCH)(COO)	C(CCC)(COO)(H)	C(CCC)(OH)(O)	C(CCHH)(CCH)(COO)	C(CCC)(COO)(H)	C(CCC)(OH)(O)	119.6877	7.770	3	119.6877	60.368	3	119.9436	13.131	22	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CCHH)(CCH)(COO)	C(CC[6a]C)(CCC)(H)	C(CCC)(OH)(O)	C(CCHH)(CCH)(COO)	C(CC[6a]C)(CCC)(H)	C(CCC)(OH)(O)	118.6370	0.000	1	118.6370	0.000	1	119.9436	13.131	22	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]HN)(CCH)(COO)	C(CC[6]H)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6a]HN)(CCH)(COO)	C(CC[6]H)(CCC)(H)	C(CCC)(OC)(O)	121.8890	0.000	1	121.8890	0.000	1	119.9436	13.131	22	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CH3)(CCH)(COO)	C(CCC)(CCH)(H)	C(CCC)(OH)(O)	C(CH3)(CCH)(COO)	C(CCC)(CCH)(H)	C(CCC)(OH)(O)	122.1620	1.006	3	122.1620	1.011	3	119.9436	13.131	22	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CH3)(CCH)(COO)	C(CCC)(COO)(H)	C(CCC)(OH)(O)	C(CH3)(CCH)(COO)	C(CCC)(COO)(H)	C(CCC)(OH)(O)	118.3416	2.990	9	118.3416	8.942	9	119.9436	13.131	22	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(CH3)(CCH)(COO)	C(CCC)(COO)(H)	C(CCC)(OZn)(O)	C(CH3)(CCH)(COO)	C(CCC)(COO)(H)	C(CCC)(OZn)(O)	125.0050	0.000	1	125.0050	0.000	1	119.9436	13.131	22	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	C-4:C-3:C-3:	C-3:N-3:H-1:	C-3:O-2:O-1:	C(CCHH)(CHN)(COO)	C(CCC)(NCH)(H)	C(CCC)(OH)(O)	C(CCHH)(CHN)(COO)	C(CCC)(NCH)(H)	C(CCC)(OH)(O)	120.9233	0.204	3	120.9233	0.041	3	120.3363	1.406	4	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	C-4:C-3:C-3:	C-3:N-3:H-1:	C-3:O-2:O-1:	C(CC[5]CH)(CHN)(COO)	C(CCC)(NCH)(H)	C(CCC)(OC)(O)	C(CC[5]CH)(CHN)(COO)	C(CCC)(NCH)(H)	C(CCC)(OC)(O)	118.5750	0.000	1	118.5750	0.000	1	120.3363	1.406	4	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	C-4:C-3:C-3:	C-3:N-3:O-1:	C-3:C-2:H-1:	C(CH3)(CCH)(CNO)	C(CCC)(NCC)(O)	C(CCC)(CN)(H)	C(CH3)(CCH)(CNO)	C(CCC)(NCC)(O)	C(CCC)(CN)(H)	120.7670	0.000	2	120.7670	0.000	2	120.7670	0.000	2	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	C-4:C-3:C-3:	C[5]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]HH)(CC[5]H)(COO)	C(C[5]C[5]N[5])(CCC)(H)	C(CCC)(OH)(O)	C(CC[5a]HH)(CC[5]H)(COO)	C(C[5]C[5]N[5])(CCC)(H)	C(CCC)(OH)(O)	116.8470	0.000	1	116.8470	0.000	1	116.8470	0.000	1	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	C-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5]HH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	C(CC[5]HH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	118.1641	1.276	10	118.1641	1.628	10	119.0625	3.089	35	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	C-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]HH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	C(CC[5a]HH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	119.0530	0.000	1	119.0530	0.000	1	119.0625	3.089	35	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	C-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6]HH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6]HH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	119.1916	1.799	9	119.1916	3.237	9	119.0625	3.089	35	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	C-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]CH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6a]CH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	122.0175	1.312	2	122.0175	1.721	2	119.0625	3.089	35	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	C-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]HH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6a]HH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	120.3260	1.492	2	120.3260	2.226	2	119.0625	3.089	35	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	C-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CN[5]HH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	C(CN[5]HH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	119.5260	1.616	5	119.5260	2.611	5	119.0625	3.089	35	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	C-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CN[5a]CH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OH)(O)	C(CN[5a]CH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OH)(O)	119.6508	1.239	4	119.6508	1.535	4	119.0625	3.089	35	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	C-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(CN[5a]HH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	C(CN[5a]HH)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(OC)(O)	116.4250	0.489	2	116.4250	0.239	2	119.0625	3.089	35	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	C-4:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:O-2:O-1:	C(CC[6a]HP)(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(OC)(O)	C(CC[6a]HP)(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(OC)(O)	126.7507	2.821	4	126.7507	7.958	4	126.7507	7.958	4	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	C-4:C-3:C-3:	N-3:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]HH)(CHN)(COO)	C(NNiC)(CCC)(H)	C(CCC)(ONi)(O)	C(CC[6a]HH)(CHN)(COO)	C(NNiC)(CCC)(H)	C(CCC)(ONi)(O)	122.5940	0.000	1	122.5940	0.000	1	121.6195	1.899	2	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	C-4:C-3:C-3:	N-3:C-3:H-1:	C-3:O-2:O-1:	C(CF3)(CHN)(COO)	C(NC[6a]H)(CCC)(H)	C(CCC)(OC)(O)	C(CF3)(CHN)(COO)	C(NC[6a]H)(CCC)(H)	C(CCC)(OC)(O)	120.6450	0.000	1	120.6450	0.000	1	121.6195	1.899	2	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	C[3]-4:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(C[3]C[3]2H)(CCH)(COO)	C(CC[3]C)(COO)(H)	C(CC[3]C)(OC)(O)	C(C[3]C[3]2H)(CCH)(COO)	C(CC[3]C)(COO)(H)	C(CC[3]C)(OC)(O)	117.3180	0.000	1	117.3180	0.000	1	117.3180	0.000	1	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	C[5]-4:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(C[5]C[5]S[5]C)(CCH)(COO)	C(CC[6a]O)(CC[5]C)(H)	C(CC[5]C)(OC)(O)	C(C[5]C[5]S[5]C)(CCH)(COO)	C(CC[6a]O)(CC[5]C)(H)	C(CC[5]C)(OC)(O)	121.8870	0.000	1	121.8870	0.000	1	121.8870	0.000	1	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	C[5]-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-1:	C(C[5]C[5]N[5]H)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CC[5]C)(H)	C(CC[5]C)(OC)(O)	C(C[5]C[5]N[5]H)(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CC[5]C)(H)	C(CC[5]C)(OC)(O)	116.7500	0.194	2	116.7500	0.038	2	116.7500	0.038	2	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	C[5]-4:C-3:C-3:	N-3:C-3:H-1:	C-3:O-2:O-1:	C(C[5]C[5,6a]C[5]C)(CHN)(COO)	C(NC[6a]C)(CC[5]C)(H)	C(CC[5]C)(OC)(O)	C(C[5]C[5,6a]C[5]C)(CHN)(COO)	C(NC[6a]C)(CC[5]C)(H)	C(CC[5]C)(OC)(O)	117.9520	0.000	1	117.9520	0.000	1	117.9520	0.000	1	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(C[6]C[6,6a]C[6]H)(CCH)(COO)	C(CC[6]C)(COO)(H)	C(CC[6]C)(OC)(O)	C(C[6]C[6,6a]C[6]H)(CCH)(COO)	C(CC[6]C)(COO)(H)	C(CC[6]C)(OC)(O)	117.0980	0.532	2	117.0980	0.283	2	118.2837	4.359	3	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(C[6]C[6]2H)(CCH)(COO)	C(CC[6]C)(COO)(H)	C(CC[6]C)(OC)(O)	C(C[6]C[6]2H)(CCH)(COO)	C(CC[6]C)(COO)(H)	C(CC[6]C)(OC)(O)	120.6550	0.000	1	120.6550	0.000	1	118.2837	4.359	3	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	N-4:C-3:C-3:	C-3:C-3:O-1:	C-3:O-2:O-1:	C(NReHH)(CCO)(COO)	C(CCN)(COO)(O)	C(CCN)(OC)(O)	C(NReHH)(CCO)(COO)	C(CCN)(COO)(O)	C(CCN)(OC)(O)	129.3350	0.000	1	129.3350	0.000	1	129.3350	0.000	1	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	N[5]-4:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(N[5]C[5]2O)(CCH)(COO)	C(CN[5]C)(COO)(H)	C(CN[5]C)(OC)(O)	C(N[5]C[5]2O)(CCH)(COO)	C(CN[5]C)(COO)(H)	C(CN[5]C)(OC)(O)	124.4045	0.337	2	124.4045	0.114	2	124.4045	0.114	2	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	P-4:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(PC[6a]2Mo)(CCH)(COO)	C(CCP)(COO)(H)	C(CCP)(OC)(O)	C(PC[6a]2Mo)(CCH)(COO)	C(CCP)(COO)(H)	C(CCP)(OC)(O)	123.0130	0.000	1	123.0130	0.000	1	123.0130	0.000	1	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	P[5]-4:C-3:C-3:	C-3:C-3:O-1:	C-3:O-2:O-1:	C(P[5]C[6a]C[5]2)(CCO)(COO)	C(CP[5]C)(COO)(O)	C(CP[5]C)(OC)(O)	C(P[5]C[6a]C[5]2)(CCO)(COO)	C(CP[5]C)(COO)(O)	C(CP[5]C)(OC)(O)	121.8400	0.000	1	121.8400	0.000	1	121.8400	0.000	1	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	S-4:C-3:C-3:	C-3:C-3:Cl-1:	C-3:O-2:O-1:	C(SC[6a]OO)(CClC)(COO)	C(CCS)(COO)(Cl)	C(CCS)(OC)(O)	C(SC[6a]OO)(CClC)(COO)	C(CCS)(COO)(Cl)	C(CCS)(OC)(O)	123.5420	0.000	1	123.5420	0.000	1	123.5420	0.000	1	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	S-4:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(SC[6a]OO)(CCH)(COO)	C(CCH)(CCS)(H)	C(CCS)(OC)(O)	C(SC[6a]OO)(CCH)(COO)	C(CCH)(CCS)(H)	C(CCS)(OC)(O)	127.8310	0.523	2	127.8310	0.274	2	127.8310	0.274	2	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:1:	S-4:C-3:C-3:	N-3:C-3:O-1:	C-3:O-2:O-1:	C(SCCO)(CNO)(COO)	C(NC[6a]H)(CCS)(O)	C(CCS)(OC)(O)	C(SCCO)(CNO)(COO)	C(NC[6a]H)(CCS)(O)	C(CCS)(OC)(O)	123.4095	0.204	2	123.4095	0.042	2	123.4095	0.042	2	120.3566	11.839	93	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:2:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-2:C-2:	C(CCHH)(CCC)(CCH)	C(CC[6a]H)(CCC)(H)	C(CCC)(CN)2	C(CCHH)(CCC)(CCH)	C(CC[6a]H)(CCC)(H)	C(CCC)(CN)2	120.0495	0.680	2	120.0495	0.462	2	120.2484	0.353	5	119.9333	0.640	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:2:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-2:C-2:	C(CH3)(CCC)(CCH)	C(CC[6a]H)(CCC)(H)	C(CCC)(CN)2	C(CH3)(CCC)(CCH)	C(CC[6a]H)(CCC)(H)	C(CCC)(CN)2	120.3810	0.640	3	120.3810	0.410	3	120.2484	0.353	5	119.9333	0.640	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:2:	C-4:C-3:C-3:	C-3:C-3:O-1:	C-3:S-2:S-2:	C(CC[5a]CH)(CCO)(CSS)	C(CCC)(CCH)(O)	C(CCC)(SC)2	C(CC[5a]CH)(CCO)(CSS)	C(CCC)(CCH)(O)	C(CCC)(SC)2	120.4850	0.000	1	120.4850	0.000	1	120.4850	0.000	1	119.9333	0.640	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:2:	C-4:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:S-2:S-2:	C(CC[6a]CH)(CC[6a]O)(CSS)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(SC)2	C(CC[6a]CH)(CC[6a]O)(CSS)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(SC)2	118.9080	0.000	1	118.9080	0.000	1	118.9080	0.000	1	119.9333	0.640	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:2:2:	C[5]-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-2:C-2:	C(C[5]C[5]2Fe)(CCC)(CCH)	C(CC[5]C)(CCC)(H)	C(CC[5]C)(CN)2	C(C[5]C[5]2Fe)(CCC)(CCH)	C(CC[5]C)(CCC)(H)	C(CC[5]C)(CN)2	118.8310	0.000	1	118.8310	0.000	1	118.8310	0.000	1	119.9333	0.640	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	C-3:C-3:Br-1:	C-3:C-3:H-1:	C(CCCH)(CBrC)(CCH)	C(CCC)(CCO)(Br)	C(CCC)(CCH)(H)	C(CCCH)(CBrC)(CCH)	C(CCC)(CCO)(Br)	C(CCC)(CCH)(H)	124.3140	0.000	1	124.3140	0.000	1	124.3140	0.000	1	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:Br-1:	C(CCHH)(CBrC)(CCH)	C(CC[5]Br)(CCC)(H)	C(CC[5]H)(CCC)(Br)	C(CCHH)(CBrC)(CCH)	C(CC[5]Br)(CCC)(H)	C(CC[5]H)(CCC)(Br)	124.1520	0.000	1	124.1520	0.000	1	124.1520	0.000	1	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CC3)(CCH)2	C(CCC)(COO)(H)	C(CCC)2(H)	C(CC3)(CCH)2	C(CCC)(COO)(H)	C(CCC)2(H)	122.0750	0.000	1	122.0750	0.000	1	121.6671	13.969	49	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CC3)(CCH)2	C(CC[5]H)(CCC)(H)	C(CC[5]H)(CCC)(H)	C(CC3)(CCH)2	C(CC[5]H)(CCC)(H)	C(CC[5]H)(CCC)(H)	124.2352	0.272	5	124.2352	0.074	5	121.6671	13.969	49	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCCH)(CCH)2	C(CCC)(CCH)(H)	C(CCC)(CCO)(H)	C(CCCH)(CCH)2	C(CCC)(CCH)(H)	C(CCC)(CCO)(H)	125.3017	0.482	4	125.3017	0.232	4	121.6671	13.969	49	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCCH)(CCH)2	C(CC[5]H)(CCC)(H)	C(CC[5]H)(CCC)(H)	C(CCCH)(CCH)2	C(CC[5]H)(CCC)(H)	C(CC[5]H)(CCC)(H)	126.0170	0.161	2	126.0170	0.026	2	121.6671	13.969	49	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCHH)(CCH)2	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	C(CCHH)(CCH)2	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	121.9915	1.566	2	121.9915	2.453	2	121.6671	13.969	49	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCHH)(CCH)2	C(CC[5a]H)(CCC)(H)	C(CCC)(CCH)(H)	C(CCHH)(CCH)2	C(CC[5a]H)(CCC)(H)	C(CCC)(CCH)(H)	122.3460	0.000	1	122.3460	0.000	1	121.6671	13.969	49	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CCHH)(CCH)2	C(CC[6a]C)(CCC)(H)	C(CCC)(COO)(H)	C(CCHH)(CCH)2	C(CC[6a]C)(CCC)(H)	C(CCC)(COO)(H)	116.5490	0.000	1	116.5490	0.000	1	121.6671	13.969	49	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CH3)(CCH)2	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	C(CH3)(CCH)2	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	119.4057	3.108	8	119.4057	9.661	8	121.6671	13.969	49	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CH3)(CCH)2	C(CCC)(CCH)(H)	C(CCC)(COO)(H)	C(CH3)(CCH)2	C(CCC)(CCH)(H)	C(CCC)(COO)(H)	118.9827	3.181	3	118.9827	10.122	3	121.6671	13.969	49	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CH3)(CCH)2	C(CCC)(CCH)(H)	C(CCC)2(H)	C(CH3)(CCH)2	C(CCC)(CCH)(H)	C(CCC)2(H)	116.5515	0.213	2	116.5515	0.045	2	121.6671	13.969	49	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CH3)(CCH)2	C(CCC)2(H)	C(CCC)2(H)	C(CH3)(CCH)2	C(CCC)2(H)	C(CCC)2(H)	120.6882	5.515	4	120.6882	30.412	4	121.6671	13.969	49	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CH3)(CCH)2	C(CC[5]C)(CCC)(H)	C(CC[5]C)(CCC)(H)	C(CH3)(CCH)2	C(CC[5]C)(CCC)(H)	C(CC[5]C)(CCC)(H)	126.6880	1.984	2	126.6880	3.937	2	121.6671	13.969	49	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CH3)(CCH)2	C(CC[5]C)(CCC)(H)	C(CP[5]C)(CCC)(H)	C(CH3)(CCH)2	C(CC[5]C)(CCC)(H)	C(CP[5]C)(CCC)(H)	125.7370	0.000	1	125.7370	0.000	1	121.6671	13.969	49	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CH3)(CCH)2	C(CC[5a]C)(CCC)(H)	C(CCC)(CCH)(H)	C(CH3)(CCH)2	C(CC[5a]C)(CCC)(H)	C(CCC)(CCH)(H)	126.0650	0.000	1	126.0650	0.000	1	121.6671	13.969	49	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CH3)(CCH)2	C(CC[5x3,5x5,20x6]H)(CCC)(H)	C(CCC)(CCH)(H)	C(CH3)(CCH)2	C(CC[5x3,5x5,20x6]H)(CCC)(H)	C(CCC)(CCH)(H)	123.4710	0.000	1	123.4710	0.000	1	121.6671	13.969	49	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CH3)(CCH)2	C(CC[6]H)(CCC)(H)	C(CCC)(CCH)(H)	C(CH3)(CCH)2	C(CC[6]H)(CCC)(H)	C(CCC)(CCH)(H)	118.3160	0.341	4	118.3160	0.116	4	121.6671	13.969	49	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CH3)(CCH)2	C(CC[6]H)(CCC)(H)	C(CCC)(CHN)(H)	C(CH3)(CCH)2	C(CC[6]H)(CCC)(H)	C(CCC)(CHN)(H)	122.3400	0.000	1	122.3400	0.000	1	121.6671	13.969	49	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CH3)(CCH)2	C(CC[6a]C)(CCC)(H)	C(CCC)(COO)(H)	C(CH3)(CCH)2	C(CC[6a]C)(CCC)(H)	C(CCC)(COO)(H)	113.6470	0.000	1	113.6470	0.000	1	121.6671	13.969	49	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CH3)(CCH)2	C(COsC)(CCC)(H)	C(COsC)(CCC)(H)	C(CH3)(CCH)2	C(COsC)(CCC)(H)	C(COsC)(CCC)(H)	122.9630	1.080	2	122.9630	1.167	2	121.6671	13.969	49	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CHHN)(CCH)2	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	C(CHHN)(CCH)2	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	123.1865	0.115	2	123.1865	0.013	2	121.6671	13.969	49	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(CSiHH)(CCH)2	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	C(CSiHH)(CCH)2	C(CCC)(CCH)(H)	C(CCC)(CCH)(H)	124.0680	0.000	1	124.0680	0.000	1	121.6671	13.969	49	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:N-3:H-1:	C(CC3)(CCH)(CHN)	C(CCC)(CCH)(H)	C(CCC)(NCC)(H)	C(CC3)(CCH)(CHN)	C(CCC)(CCH)(H)	C(CCC)(NCC)(H)	125.9300	0.000	1	125.9300	0.000	1	125.9300	0.000	1	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	C-3:C-3:O-1:	C-3:C-3:H-1:	C(CC3)(CCH)(CCO)	C(CC[6]C)(CCC)(O)	C(CCC)2(H)	C(CC3)(CCH)(CCO)	C(CC[6]C)(CCC)(O)	C(CCC)2(H)	121.7380	0.000	1	121.7380	0.000	1	124.4535	14.748	2	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	C-3:C-3:O-1:	C-3:C-3:H-1:	C(CH3)(CCH)(CCO)	C(CCC)(CCO)(O)	C(CCC)2(H)	C(CH3)(CCH)(CCO)	C(CCC)(CCO)(O)	C(CCC)2(H)	127.1690	0.000	1	127.1690	0.000	1	124.4535	14.748	2	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	C-3:C-3:O-1:	N-3:C-3:H-1:	C(CC[6a]CH)(CCO)(CHN)	C(CC[6a]C)(CCC)(O)	C(NC[6a]H)(CCC)(H)	C(CC[6a]CH)(CCO)(CHN)	C(CC[6a]C)(CCC)(O)	C(NC[6a]H)(CCC)(H)	119.6510	0.000	1	119.6510	0.000	1	119.6510	0.000	1	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	C-3:N-3:H-1:	C-3:N-3:O-1:	C(CH3)(CHN)(CNO)	C(CCC)(NCH)(H)	C(CCC)(NCH)(O)	C(CH3)(CHN)(CNO)	C(CCC)(NCH)(H)	C(CCC)(NCH)(O)	120.5780	0.369	4	120.5780	0.136	4	120.5780	0.136	4	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(CC[6a]2H)(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CCC)(H)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]2H)(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CCC)(H)	C(C[6a]C[6a]2)(CCC)(O)	125.7920	0.000	1	125.7920	0.000	1	121.3260	39.890	2	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(CN[5a]CH)(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CCC)(H)	C(C[6a]C[6a]2)(CCC)(O)	C(CN[5a]CH)(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CCC)(H)	C(C[6a]C[6a]2)(CCC)(O)	116.8600	0.000	1	116.8600	0.000	1	121.3260	39.890	2	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:C-3:H-1:	C(CC[6a]HN)(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(CCH)(H)	C(CC[6a]HN)(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(CCH)(H)	120.4510	0.000	1	120.4510	0.000	1	120.4510	0.000	1	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	C[6a]-3:C-3:O-1:	C[6a]-3:C-3:O-1:	C(CC[6a]HP)(CC[6a]O)2	C(C[6a]C[6a]2)(CCC)(O)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]HP)(CC[6a]O)2	C(C[6a]C[6a]2)(CCC)(O)	C(C[6a]C[6a]2)(CCC)(O)	128.3350	0.000	1	128.3350	0.000	1	128.3350	0.000	1	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	C[6a]-3:C-3:O-1:	N-3:C-3:H-1:	C(CC[6a]CH)(CC[6a]O)(CHN)	C(C[6a]C[6a]2)(CCC)(O)	C(NC[6a]H)(CCC)(H)	C(CC[6a]CH)(CC[6a]O)(CHN)	C(C[6a]C[6a]2)(CCC)(O)	C(NC[6a]H)(CCC)(H)	119.8670	0.000	1	119.8670	0.000	1	119.8670	0.000	1	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	N-3:C-3:O-1:	C-3:C-3:H-1:	C(CH3)(CCH)(CNO)	C(NC[6]H)(CCC)(O)	C(CCC)(CCH)(H)	C(CH3)(CCH)(CNO)	C(NC[6]H)(CCC)(O)	C(CCC)(CCH)(H)	120.4725	2.106	8	120.4725	4.437	8	121.0996	6.703	14	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	N-3:C-3:O-1:	C-3:C-3:H-1:	C(CH3)(CCH)(CNO)	C(NC[6a]C)(CCC)(O)	C(CCC)(CCH)(H)	C(CH3)(CCH)(CNO)	C(NC[6a]C)(CCC)(O)	C(CCC)(CCH)(H)	122.1020	0.000	1	122.1020	0.000	1	121.0996	6.703	14	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C-4:C-3:C-3:	N-3:C-3:O-1:	C-3:C-3:H-1:	C(CH3)(CCH)(CNO)	C(NC[6a]H)(CCC)(O)	C(CCC)(CCH)(H)	C(CH3)(CCH)(CNO)	C(NC[6a]H)(CCC)(O)	C(CCC)(CCH)(H)	121.9024	3.490	5	121.9024	12.177	5	121.0996	6.703	14	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]2Co)(CCH)2	C(CC[5]C)(CCH)(H)	C(CC[5]C)(CCH)(H)	C(C[5]C[5]2Co)(CCH)2	C(CC[5]C)(CCH)(H)	C(CC[5]C)(CCH)(H)	123.8650	0.000	1	123.8650	0.000	1	123.2023	0.508	7	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(C[5]C[5]2Fe)(CCH)2	C(CC[5]C)(CCH)(H)	C(CC[5]C)(CCH)(H)	C(C[5]C[5]2Fe)(CCH)2	C(CC[5]C)(CCH)(H)	C(CC[5]C)(CCH)(H)	123.0918	0.712	6	123.0918	0.507	6	123.2023	0.508	7	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C-3:C-3:	C[6a]-3:C-3:O-1:	N-3:C-3:H-1:	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(CHN)	C(C[6a]C[6a]2)(CC[5]C)(O)	C(NC[6a]H)(CC[5]C)(H)	C(C[5]C[5,6a]C[5]H)(CC[6a]O)(CHN)	C(C[6a]C[6a]2)(CC[5]C)(O)	C(NC[6a]H)(CC[5]C)(H)	118.8410	0.404	2	118.8410	0.164	2	118.8410	0.164	2	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6,6a]2C)(CCH)2	C(CC[6]C)(CBrC)(H)	C(CC[6]C)(CCH)(H)	C(C[6]C[6,6a]2C)(CCH)2	C(CC[6]C)(CBrC)(H)	C(CC[6]C)(CCH)(H)	126.4980	0.000	1	126.4980	0.000	1	123.5775	17.059	2	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:H-1:	C(C[6]C[6]2H)(CCH)2	C(CC[6]C)(COsC)(H)	C(CC[6]C)(COsC)(H)	C(C[6]C[6]2H)(CCH)2	C(CC[6]C)(COsC)(H)	C(CC[6]C)(COsC)(H)	120.6570	0.000	1	120.6570	0.000	1	123.5775	17.059	2	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:O-1:	C(C[6]C[6,6a]2C)(CCH)(CCO)	C(CC[6]C)(CCH)(H)	C(CC[6]C)(CCH)(O)	C(C[6]C[6,6a]2C)(CCH)(CCO)	C(CC[6]C)(CCH)(H)	C(CC[6]C)(CCH)(O)	127.4270	0.000	1	127.4270	0.000	1	127.4270	0.000	1	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C-3:C-3:	C-3:C-3:O-1:	C-3:C-3:H-1:	C(C[6]C[6,6a]2C)(CCH)(CCO)	C(CC[6]C)(CBrC)(O)	C(CC[6]C)(CCH)(H)	C(C[6]C[6,6a]2C)(CCH)(CCO)	C(CC[6]C)(CBrC)(O)	C(CC[6]C)(CCH)(H)	128.2947	0.390	3	128.2947	0.152	3	128.2947	0.152	3	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:C-3:H-1:	C(C[6]C[6]2H)(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(CC[6]C)(O)	C(CC[6]C)(CCH)(H)	C(C[6]C[6]2H)(CC[6a]O)(CCH)	C(C[6a]C[6a]2)(CC[6]C)(O)	C(CC[6]C)(CCH)(H)	118.9250	0.151	2	118.9250	0.023	2	118.9250	0.023	2	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	P-4:C-3:C-3:	C-3:C-3:O-1:	C-3:C-3:O-1:	C(PC[6a]3)(CCO)2	C(CC[6a]O)(CCP)(O)	C(CC[6a]O)(CCP)(O)	C(PC[6a]3)(CCO)2	C(CC[6a]O)(CCP)(O)	C(CC[6a]O)(CCP)(O)	119.7230	0.000	1	119.7230	0.000	1	119.7230	0.000	1	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	P-4:C-3:C-3:	C[6a]-3:C-3:O-1:	C-3:C-3:O-1:	C(PC[6a]3)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CCP)(O)	C(CCO)(CCP)(O)	C(PC[6a]3)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CCP)(O)	C(CCO)(CCP)(O)	126.1120	0.000	1	126.1120	0.000	1	126.1120	0.000	1	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	S-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(SC[6a]OO)(CC[6a]H)(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(CCS)(H)	C(C[6a]C[6a]2)(CCS)(O)	C(SC[6a]OO)(CC[6a]H)(CC[6a]O)	C(C[6a]C[5a,6a]C[6a])(CCS)(H)	C(C[6a]C[6a]2)(CCS)(O)	127.6030	0.000	1	127.6030	0.000	1	128.4967	2.165	3	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	S-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:O-1:	C(SC[6a]OO)(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CCS)(H)	C(C[6a]C[6a]2)(CCS)(O)	C(SC[6a]OO)(CC[6a]H)(CC[6a]O)	C(C[6a]C[6a]2)(CCS)(H)	C(C[6a]C[6a]2)(CCS)(O)	128.9435	1.770	2	128.9435	3.133	2	128.4967	2.165	3	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	S-4:C-3:C-3:	C[6a]-3:C-3:I-1:	C[6a]-3:C-3:O-1:	C(SC[6a]OO)(CC[6a]I)(CC[6a]O)	C(C[6a]C[6a]2)(CCS)(I)	C(C[6a]C[6a]2)(CCS)(O)	C(SC[6a]OO)(CC[6a]I)(CC[6a]O)	C(C[6a]C[6a]2)(CCS)(I)	C(C[6a]C[6a]2)(CCS)(O)	124.0200	0.000	1	124.0200	0.000	1	124.0200	0.000	1	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:1:	S-4:C-3:C-3:	N[6]-3:C-3:H-1:	C-3:N-3:O-1:	C(SC[6a]OO)(CN[6]H)(CNO)	C(N[6]C[6]2)(CCS)(H)	C(CCS)(NCH)(O)	C(SC[6a]OO)(CN[6]H)(CNO)	C(N[6]C[6]2)(CCS)(H)	C(CCS)(NCH)(O)	127.2850	0.000	1	127.2850	0.000	1	127.2850	0.000	1	122.2911	13.147	102	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:3:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C(CCHH)(CCC)(CCH)	C(CC[6a]H)(CCC)(H)	C(CCC)(COO)2	C(CCHH)(CCC)(CCH)	C(CC[6a]H)(CCC)(H)	C(CCC)(COO)2	121.0990	0.000	1	121.0990	0.000	1	123.5855	12.365	2	123.1477	6.758	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:3:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-3:C-3:	C(CH3)(CCC)(CCH)	C(CCC)(CCO)(H)	C(CCC)2(COO)	C(CH3)(CCC)(CCH)	C(CCC)(CCO)(H)	C(CCC)2(COO)	126.0720	0.000	1	126.0720	0.000	1	123.5855	12.365	2	123.1477	6.758	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:3:	C[6]-4:C-3:C-3:	C[6a]-3:C-3:I-1:	C[6a]-3:C-3:C-3:	C(C[6]C[6]2H)(CC[6a]C)(CC[6a]I)	C(C[6a]C[6a]2)(CC[6]C)(I)	C(C[6a]C[6a]2)(CC[6]C)2	C(C[6]C[6]2H)(CC[6a]C)(CC[6a]I)	C(C[6a]C[6a]2)(CC[6]C)(I)	C(C[6a]C[6a]2)(CC[6]C)2	122.2720	0.000	1	122.2720	0.000	1	122.2720	0.000	1	123.1477	6.758	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:3:4:	Si-4:C-3:C-3:	P-3:C-3:H-1:	C-3:O-3:C-4:	C(SiC3)(CCO)(CHP)	C(PC[6a]Li)(CSiC)(H)	C(CSiC)(OLi2)(CH3)	C(SiC3)(CCO)(CHP)	C(PC[6a]Li)(CSiC)(H)	C(CSiC)(OLi2)(CH3)	119.3970	0.146	2	119.3970	0.021	2	119.3970	0.021	2	119.3970	0.021	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:4:1:	C[5]-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:C-4:O-1:	C(C[5]C[5]2H)(CC[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[5]C)(H)	C(CC[5]C)(CH3)(O)	C(C[5]C[5]2H)(CC[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[5]C)(H)	C(CC[5]C)(CH3)(O)	120.7570	0.000	1	120.7570	0.000	1	120.7570	0.000	1	121.3038	1.899	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:4:1:	C[6]-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-4:H-1:	C(C[6]C[6]2H)(CCH)2	C(CC[5]C)(CC[6]C)(H)	C(CC[6]C)(CH3)(H)	C(C[6]C[6]2H)(CCH)2	C(CC[5]C)(CC[6]C)(H)	C(CC[6]C)(CH3)(H)	120.4500	0.000	1	120.4500	0.000	1	120.4500	0.000	1	121.3038	1.899	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:4:1:	C[6]-4:C-3:C-3:	C[5a]-3:C-3:H-1:	C-3:C-4:O-1:	C(C[6]C[6]2H)(CC[5a]H)(CCO)	C(C[5a]C[5a]N[5a])(CC[6]C)(H)	C(CC[6]C)(CH3)(O)	C(C[6]C[6]2H)(CC[5a]H)(CCO)	C(C[5a]C[5a]N[5a])(CC[6]C)(H)	C(CC[6]C)(CH3)(O)	120.0330	0.000	1	120.0330	0.000	1	120.0330	0.000	1	121.3038	1.899	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:4:1:	C[6]-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C-3:C-4:O-1:	C(C[6]C[6]2O)(CC[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[6]C)(H)	C(CC[6]C)(CH3)(O)	C(C[6]C[6]2O)(CC[6a]H)(CCO)	C(C[6a]C[6a]2)(CC[6]C)(H)	C(CC[6]C)(CH3)(O)	122.6395	1.177	2	122.6395	1.386	2	122.6395	1.386	2	121.3038	1.899	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	3:4:4:	C[5]-4:C-3:C-3:	C-3:C-3:H-1:	C-3:C-4:C-4:	C(C[5]C[5]2C)(CCC)(CCH)	C(CC[5]C)(CHH)(H)	C(CC[5]C)(CH3)2	C(C[5]C[5]2C)(CCC)(CCH)	C(CC[5]C)(CHH)(H)	C(CC[5]C)(CH3)2	119.7030	0.000	1	119.7030	0.000	1	119.7030	0.000	1	119.7030	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	4:3:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-4:C-3:H-1:	C(CH3)(CCH)2	C(CC[6]H)(CCC)(H)	C(CCCH)(CCC)(H)	C(CH3)(CCH)2	C(CC[6]H)(CCC)(H)	C(CCCH)(CCC)(H)	118.5270	0.000	1	118.5270	0.000	1	118.5270	0.000	1	120.7188	7.385	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	4:3:1:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[6a]HN)(CCH)(CCO)	C(CCC)(CCH)(H)	C(CH3)(CCC)(O)	C(CC[6a]HN)(CCH)(CCO)	C(CCC)(CCH)(H)	C(CH3)(CCC)(O)	120.0880	0.000	1	120.0880	0.000	1	120.0880	0.000	1	120.7188	7.385	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	4:3:1:	C-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[5a]HH)(CC[6a]H)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C(CH3)(CCC)(O)	C(CC[5a]HH)(CC[6a]H)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C(CH3)(CCC)(O)	120.6583	1.510	4	120.6583	2.280	4	120.1161	1.162	12	120.7188	7.385	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	4:3:1:	C-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[6a]HH)(CC[6a]H)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C(CF3)(CCC)(O)	C(CC[6a]HH)(CC[6a]H)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C(CF3)(CCC)(O)	120.7110	0.000	1	120.7110	0.000	1	120.1161	1.162	12	120.7188	7.385	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	4:3:1:	C-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[6a]HH)(CC[6a]H)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C(CH3)(CCC)(O)	C(CC[6a]HH)(CC[6a]H)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C(CH3)(CCC)(O)	119.3148	0.512	4	119.3148	0.262	4	120.1161	1.162	12	120.7188	7.385	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	4:3:1:	C-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C-4:C-3:O-1:	C(CC[6a]HN)(CC[6a]H)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C(CH3)(CCC)(O)	C(CC[6a]HN)(CC[6a]H)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C(CH3)(CCC)(O)	121.0780	0.000	1	121.0780	0.000	1	120.1161	1.162	12	120.7188	7.385	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	4:3:1:	C-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C-4:C-3:O-1:	C(CN[5]HH)(CC[6a]H)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C(CH3)(CCC)(O)	C(CN[5]HH)(CC[6a]H)(CCO)	C(C[6a]C[6a]2)(CCC)(H)	C(CH3)(CCC)(O)	119.8560	0.014	2	119.8560	0.000	2	120.1161	1.162	12	120.7188	7.385	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	4:3:1:	C-4:C-3:C-3:	C[6a]-3:C-3:O-1:	C[3]-4:C-3:H-1:	C(CC[6a]HH)(CC[6a]O)(CC[3]H)	C(C[6a]C[6a]2)(CCC)(O)	C(C[3]C[3]2H)(CCC)(H)	C(CC[6a]HH)(CC[6a]O)(CC[3]H)	C(C[6a]C[6a]2)(CCC)(O)	C(C[3]C[3]2H)(CCC)(H)	119.4160	0.000	1	119.4160	0.000	1	119.4160	0.000	1	120.7188	7.385	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	4:3:1:	C-4:C-3:C-3:	N-3:C-3:O-1:	C-4:C-3:H-1:	C(CH3)(CCH)(CNO)	C(NC[5]H)(CCC)(O)	C(CH3)(CCC)(H)	C(CH3)(CCH)(CNO)	C(NC[5]H)(CCC)(O)	C(CH3)(CCC)(H)	120.0080	0.000	1	120.0080	0.000	1	119.8568	1.015	4	120.7188	7.385	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	4:3:1:	C-4:C-3:C-3:	N-3:C-3:O-1:	C-4:C-3:H-1:	C(CH3)(CCH)(CNO)	C(NC[6a]C)(CCC)(O)	C(CH3)(CCC)(H)	C(CH3)(CCH)(CNO)	C(NC[6a]C)(CCC)(O)	C(CH3)(CCC)(H)	119.8063	1.228	3	119.8063	1.507	3	119.8568	1.015	4	120.7188	7.385	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	4:3:1:	P-4:C-3:C-3:	C[6a]-3:C-3:O-1:	C-4:C-3:O-1:	C(PC[6a]3)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CCP)(O)	C(CH3)(CCP)(O)	C(PC[6a]3)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CCP)(O)	C(CH3)(CCP)(O)	126.1200	0.000	1	126.1200	0.000	1	126.1200	0.000	1	120.7188	7.385	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	4:3:1:	S-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C-4:C-3:O-1:	C(SC[6a]OO)(CC[6a]H)(CCO)	C(C[6a]C[6a]2)(CCS)(H)	C(CH3)(CCS)(O)	C(SC[6a]OO)(CC[6a]H)(CCO)	C(C[6a]C[6a]2)(CCS)(H)	C(CH3)(CCS)(O)	130.1240	0.000	1	130.1240	0.000	1	130.1240	0.000	1	120.7188	7.385	21	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	4:3:2:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-4:C-3:O-2:	C(CHHO)(CCH)(CCO)	C(CC[6a]C)(CCC)(H)	C(CCHH)(CCC)(OSi)	C(CHHO)(CCH)(CCO)	C(CC[6a]C)(CCC)(H)	C(CCHH)(CCC)(OSi)	121.2170	0.000	1	121.2170	0.000	1	121.2170	0.000	1	121.2170	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:1:	4:4:3:	C-4:C-3:C-3:	C-3:C-3:H-1:	C-4:C-4:C-3:	C(CHHN)(CCC)(CCH)	C(CC[6a]2)(CCC)(H)	C(CH3)2(CCC)	C(CHHN)(CCC)(CCH)	C(CC[6a]2)(CCC)(H)	C(CH3)2(CCC)	121.9660	0.000	1	121.9660	0.000	1	121.9660	0.000	1	121.9660	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:2:	3:2:1:	C-4:C-3:C-3:	C[6a]-3:C-3:O-2:	C-3:O-2:O-1:	C(CC[6a]HH)(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CCC)(OC)	C(CCC)(OC)(O)	C(CC[6a]HH)(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CCC)(OC)	C(CCC)(OC)(O)	118.9190	0.000	1	118.9190	0.000	1	118.9190	0.000	1	120.2128	2.125	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:2:	3:2:1:	C[5]-4:C-3:C-3:	C-3:C-3:S-2:	C-3:O-2:O-1:	C(C[5]C[5]N[5]H)(CCS)(COO)	C(CC[5]C)(COO)(SC)	C(CC[5]C)(OC)(O)	C(C[5]C[5]N[5]H)(CCS)(COO)	C(CC[5]C)(COO)(SC)	C(CC[5]C)(OC)(O)	121.9560	0.000	1	121.9560	0.000	1	121.9560	0.000	1	120.2128	2.125	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:2:	3:2:1:	C[5]-4:C-3:C-3:	C[6a]-3:C-3:O-2:	C-3:O-2:O-1:	C(C[5]C[5]N[5]H)(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CC[5]C)(OSi)	C(CC[5]C)(OC)(O)	C(C[5]C[5]N[5]H)(CC[6a]O)(COO)	C(C[6a]C[6a]2)(CC[5]C)(OSi)	C(CC[5]C)(OC)(O)	121.6250	0.000	1	121.6250	0.000	1	121.6250	0.000	1	120.2128	2.125	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:2:	3:2:1:	P-4:C-3:C-3:	C-3:N-3:O-2:	C-3:O-2:O-1:	C(PO3)(CNO)(COO)	C(CCP)(NCH)(OH)	C(CCP)(OC)(O)	C(PO3)(CNO)(COO)	C(CCP)(NCH)(OH)	C(CCP)(OC)(O)	119.4560	0.000	1	119.4560	0.000	1	119.4560	0.000	1	120.2128	2.125	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:2:	3:2:1:	P-4:C-3:C-3:	N-3:C-3:O-2:	C-3:O-2:O-1:	C(PO3)(CNO)(COO)	C(NC[6a]H)(CCP)(OH)	C(CCP)(OC)(O)	C(PO3)(CNO)(COO)	C(NC[6a]H)(CCP)(OH)	C(CCP)(OC)(O)	119.1080	0.000	1	119.1080	0.000	1	119.1080	0.000	1	120.2128	2.125	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:2:	3:2:2:	C[5]-4:C-3:C-3:	C-3:C-3:C-2:	C-3:C-2:C-2:	C(C[5]C[5]2Fe)(CCC)2	C(CC[5]C)(CCC)(CC)	C(CC[5]C)(CN)2	C(C[5]C[5]2Fe)(CCC)2	C(CC[5]C)(CCC)(CC)	C(CC[5]C)(CN)2	119.4120	0.000	1	119.4120	0.000	1	119.4120	0.000	1	119.4120	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:2:	3:3:1:	C-4:C-3:C-3:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(CF3)(CCH)(CCO)	C(CCC)(CCH)(OC)	C(CCC)(CCH)(H)	C(CF3)(CCH)(CCO)	C(CCC)(CCH)(OC)	C(CCC)(CCH)(H)	124.8290	0.000	1	124.8290	0.000	1	124.8290	0.000	1	126.0167	4.705	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:2:	3:3:1:	C-4:C-3:C-3:	C[6a]-3:C-3:C-2:	C-3:C-3:H-1:	C(CC[6a]HH)(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CCC)(COs)	C(CC[6a]Os)(CCC)(H)	C(CC[6a]HH)(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CCC)(COs)	C(CC[6a]Os)(CCC)(H)	122.0290	0.000	1	122.0290	0.000	1	122.0290	0.000	1	126.0167	4.705	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:2:	3:3:1:	C[5]-4:C-3:C-3:	C[6a]-3:C-3:O-2:	C[6a]-3:C-3:O-1:	C(C[5]N[5]O[5]H)(CC[6a]O)2	C(C[6a]C[6a]2)(CC[5]C)(OC)	C(C[6a]C[6a]2)(CC[5]C)(O)	C(C[5]N[5]O[5]H)(CC[6a]O)2	C(C[6a]C[6a]2)(CC[5]C)(OC)	C(C[6a]C[6a]2)(CC[5]C)(O)	126.4950	1.795	2	126.4950	3.221	2	126.4950	3.221	2	126.0167	4.705	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:2:	3:3:1:	N-4:C-3:C-3:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(NCuCC)(CCH)(CCO)	C(CCH)(CCN)(OCu)	C(CCH)(CCN)(H)	C(NCuCC)(CCH)(CCO)	C(CCH)(CCN)(OCu)	C(CCH)(CCN)(H)	128.3540	0.000	1	128.3540	0.000	1	128.3540	0.000	1	126.0167	4.705	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:2:	3:3:1:	S-4:C-3:C-3:	C-3:C-3:O-2:	C-3:C-3:H-1:	C(SC[6a]OO)(CCH)(CCO)	C(CCH)(CCS)(OH)	C(CCH)(CCS)(H)	C(SC[6a]OO)(CCH)(CCO)	C(CCH)(CCS)(OH)	C(CCH)(CCS)(H)	126.9575	0.073	2	126.9575	0.005	2	126.9575	0.005	2	126.0167	4.705	7	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:2:	3:4:1:	C[5]-4:C-3:C-3:	C[6a]-3:C-3:C-2:	C-3:C-4:H-1:	C(C[5]C[5]O[5]H)(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CC[5]C)(CC)	C(CC[5]C)(CCHH)(H)	C(C[5]C[5]O[5]H)(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CC[5]C)(CC)	C(CC[5]C)(CCHH)(H)	121.0630	0.000	1	121.0630	0.000	1	121.0630	0.000	1	121.0630	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:2:	4:3:1:	C-4:C-3:C-3:	C-3:C-3:C-2:	C-4:C-3:H-1:	C(CCHH)(CCC)(CCH)	C(CC[6a]C)(CCC)(CC)	C(CCHH)(CCC)(H)	C(CCHH)(CCC)(CCH)	C(CC[6a]C)(CCC)(CC)	C(CCHH)(CCC)(H)	119.5460	0.000	1	119.5460	0.000	1	119.5460	0.000	1	119.5460	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:2:	4:3:3:	C-4:C-3:C-3:	C-3:C-3:O-2:	C-4:C-3:C-3:	C(CCHH)(CCC)(CCO)	C(CC[6a]2)(CCC)(OB)	C(CCHH)(CCC)2	C(CCHH)(CCC)(CCO)	C(CC[6a]2)(CCC)(OB)	C(CCHH)(CCC)2	120.3930	0.000	1	120.3930	0.000	1	120.6963	0.124	3	120.6963	0.124	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:2:	4:3:3:	C-4:C-3:C-3:	C-3:C-3:O-2:	C-4:C-3:C-3:	C(CH3)(CCC)(CCO)	C(CC[6a]2)(CCC)(OB)	C(CH3)(CCC)2	C(CH3)(CCC)(CCO)	C(CC[6a]2)(CCC)(OB)	C(CH3)(CCC)2	120.8480	0.332	2	120.8480	0.110	2	120.6963	0.124	3	120.6963	0.124	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:3:	3:1:1:	C-4:C-3:C-3:	C-3:C-3:C-3:	C-3:H-1:H-1:	C(CH3)(CCC)(CHH)	C(CP[6]H)(CCC)2	C(CCC)(H)2	C(CH3)(CCC)(CHH)	C(CP[6]H)(CCC)2	C(CCC)(H)2	118.5820	0.000	1	118.5820	0.000	1	120.5500	7.746	2	121.7265	5.948	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:3:	3:1:1:	C-4:C-3:C-3:	C-3:C-3:C-3:	C-3:H-1:H-1:	C(CHHO)(CCC)(CHH)	C(CC[6a]N)(CC[6a]O)(CCC)	C(CCC)(H)2	C(CHHO)(CCC)(CHH)	C(CC[6a]N)(CC[6a]O)(CCC)	C(CCC)(H)2	122.5180	0.000	1	122.5180	0.000	1	120.5500	7.746	2	121.7265	5.948	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:3:	3:1:1:	P-4:C-3:C-3:	C-3:C-3:C-3:	C-3:H-1:H-1:	C(PC[6a]2O)(CCC)(CHH)	C(CC[6a]2)(CCH)(CCP)	C(CCP)(H)2	C(PC[6a]2O)(CCC)(CHH)	C(CC[6a]2)(CCH)(CCP)	C(CCP)(H)2	124.4130	0.000	1	124.4130	0.000	1	122.9030	4.560	2	121.7265	5.948	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:3:	3:1:1:	P-4:C-3:C-3:	C-3:C-3:C-3:	C-3:H-1:H-1:	C(PC[6a]3)(CCC)(CHH)	C(CCH)(CCO)(CCP)	C(CCP)(H)2	C(PC[6a]3)(CCC)(CHH)	C(CCH)(CCO)(CCP)	C(CCP)(H)2	121.3930	0.000	1	121.3930	0.000	1	122.9030	4.560	2	121.7265	5.948	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:3:	3:2:1:	C-4:C-3:C-3:	C-3:C-3:N-3:	C-3:O-2:O-1:	C(CC[5a]HH)(CCN)(COO)	C(CCC)(COO)(NCC)	C(CCC)(OC)(O)	C(CC[5a]HH)(CCN)(COO)	C(CCC)(COO)(NCC)	C(CCC)(OC)(O)	117.1230	0.040	2	117.1230	0.002	2	117.1230	0.002	2	119.9025	11.774	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:3:	3:2:1:	C-4:C-3:C-3:	C-3:N-3:N-3:	C-3:O-2:O-1:	C(CCHH)(CNN)(COO)	C(CCC)(NCH)(NHH)	C(CCC)(OC)(O)	C(CCHH)(CNN)(COO)	C(CCC)(NCH)(NHH)	C(CCC)(OC)(O)	120.2050	0.000	1	120.2050	0.000	1	120.2050	0.000	1	119.9025	11.774	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:3:	3:2:1:	C-4:C-3:C-3:	C[5]-3:C-3:C-3:	C-3:O-2:O-1:	C(CC[6a]HO)(CC[5]C)(COO)	C(C[5]N[5]2)(CCC)(COO)	C(CCC)(OC)(O)	C(CC[6a]HO)(CC[5]C)(COO)	C(C[5]N[5]2)(CCC)(COO)	C(CCC)(OC)(O)	116.1860	0.000	1	116.1860	0.000	1	116.1860	0.000	1	119.9025	11.774	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:3:	3:2:1:	C[5]-4:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-3:O-2:O-1:	C(C[5]C[5]N[5]H)(CC[6a]2)(COO)	C(C[6a]C[6a]2)2(CC[5]C)	C(CC[5]C)(OC)(O)	C(C[5]C[5]N[5]H)(CC[6a]2)(COO)	C(C[6a]C[6a]2)2(CC[5]C)	C(CC[5]C)(OC)(O)	122.0880	0.000	1	122.0880	0.000	1	122.0880	0.000	1	119.9025	11.774	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:3:	3:2:1:	C[5]-4:C-3:C-3:	N[6]-3:C-3:C-3:	C-3:O-2:O-1:	C(C[5]C[5,6a]2C)(CN[6]C)(COO)	C(N[6]C[6]2)(CC[5]C)(COO)	C(CC[5]C)(OC)(O)	C(C[5]C[5,6a]2C)(CN[6]C)(COO)	C(N[6]C[6]2)(CC[5]C)(COO)	C(CC[5]C)(OC)(O)	116.6260	0.000	1	116.6260	0.000	1	116.6260	0.000	1	119.9025	11.774	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:3:	3:2:1:	C[6]-4:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:O-2:O-1:	C(C[6]C[6]O[6]H)(CC[6a]C)(COO)	C(C[6a]C[6a]2)(CC[6]C)(CCH)	C(CC[6]C)(OC)(O)	C(C[6]C[6]O[6]H)(CC[6a]C)(COO)	C(C[6a]C[6a]2)(CC[6]C)(CCH)	C(CC[6]C)(OC)(O)	119.4950	0.000	1	119.4950	0.000	1	119.4950	0.000	1	119.9025	11.774	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:3:	3:2:1:	P-4:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(PC[6a]2Ir)(CCC)(COO)	C(CIrO)(CCP)(COO)	C(CCP)(OC)(O)	C(PC[6a]2Ir)(CCC)(COO)	C(CIrO)(CCP)(COO)	C(CCP)(OC)(O)	127.3540	0.000	1	127.3540	0.000	1	123.0287	21.096	3	119.9025	11.774	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:3:	3:2:1:	P-4:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(PO3)(CCC)(COO)	C(CCP)(CNS)(COO)	C(CCP)(OC)(O)	C(PO3)(CCC)(COO)	C(CCP)(CNS)(COO)	C(CCP)(OC)(O)	118.2080	0.000	1	118.2080	0.000	1	123.0287	21.096	3	119.9025	11.774	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:3:	3:2:1:	P-4:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-1:	C(PO3)(CCC)(COO)	C(CC[6a]O)(CCP)(COO)	C(CCP)(OC)(O)	C(PO3)(CCC)(COO)	C(CC[6a]O)(CCP)(COO)	C(CCP)(OC)(O)	123.5240	0.000	1	123.5240	0.000	1	123.0287	21.096	3	119.9025	11.774	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:3:	3:2:1:	S-4:C-3:C-3:	C-3:C-3:N-3:	C-3:O-2:O-1:	C(SCOO)(CCN)(COO)	C(CCS)(COO)(NCN)	C(CCS)(OC)(O)	C(SCOO)(CCN)(COO)	C(CCS)(COO)(NCN)	C(CCS)(OC)(O)	120.9960	0.000	1	120.9960	0.000	1	120.9960	0.000	1	119.9025	11.774	11	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:3:	3:2:2:	B[3x6]-4:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:C-2:C-2:	C(B[3x6]N[5a,6,6]3)(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CB[3x6]C)(CCC)	C(CB[3x6]C)(CN)2	C(B[3x6]N[5a,6,6]3)(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CB[3x6]C)(CCC)	C(CB[3x6]C)(CN)2	117.0950	0.000	1	117.0950	0.000	1	117.0950	0.000	1	117.2258	0.056	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:3:	3:2:2:	C[5]-4:C-3:C-3:	C-3:C-3:C-3:	C-3:C-2:C-2:	C(C[5]C[5]2Fe)(CCC)2	C(CC[6a]C)(CC[5]C)(CCC)	C(CC[5]C)(CN)2	C(C[5]C[5]2Fe)(CCC)2	C(CC[6a]C)(CC[5]C)(CCC)	C(CC[5]C)(CN)2	117.4220	0.000	1	117.4220	0.000	1	117.4220	0.000	1	117.2258	0.056	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:3:	3:2:2:	C[5]-4:C-3:C-3:	C[6]-3:C-3:C-3:	C-3:C-2:C-2:	C(C[5]C[5]2Fe)(CC[6]C)(CCC)	C(C[6]C[5a,6]2)(CC[5]C)(CCC)	C(CC[5]C)(CN)2	C(C[5]C[5]2Fe)(CC[6]C)(CCC)	C(C[6]C[5a,6]2)(CC[5]C)(CCC)	C(CC[5]C)(CN)2	117.5060	0.000	1	117.5060	0.000	1	117.5060	0.000	1	117.2258	0.056	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:3:	3:2:2:	C[5]-4:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:C-2:C-2:	C(C[5]C[5]2Fe)(CC[6a]C)(CCC)	C(C[6a]C[5a,6a]C[6a])(CC[5]C)(CCC)	C(CC[5]C)(CN)2	C(C[5]C[5]2Fe)(CC[6a]C)(CCC)	C(C[6a]C[5a,6a]C[6a])(CC[5]C)(CCC)	C(CC[5]C)(CN)2	117.1770	0.000	1	117.1770	0.000	1	117.0530	0.031	2	117.2258	0.056	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:3:	3:2:2:	C[5]-4:C-3:C-3:	C[6a]-3:C-3:C-3:	C-3:C-2:C-2:	C(C[5]C[5]2Fe)(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CC[5]C)(CCC)	C(CC[5]C)(CN)2	C(C[5]C[5]2Fe)(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CC[5]C)(CCC)	C(CC[5]C)(CN)2	116.9290	0.000	1	116.9290	0.000	1	117.0530	0.031	2	117.2258	0.056	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:3:	3:3:1:	C-4:C-3:C-3:	C-3:C-3:C-3:	C-3:C-3:H-1:	C(CCHH)(CCC)(CCH)	C(CC[6a]O)(CCC)(CCH)	C(CCC)(COO)(H)	C(CCHH)(CCC)(CCH)	C(CC[6a]O)(CCC)(CCH)	C(CCC)(COO)(H)	123.2270	0.000	1	123.2270	0.000	1	123.2270	0.000	1	120.9745	10.148	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:3:	3:3:1:	C-4:C-3:C-3:	C-3:C-3:N-3:	C-3:C-3:H-1:	C(CC3)(CCH)(CCN)	C(CCC)(CCO)(NOO)	C(CCC)2(H)	C(CC3)(CCH)(CCN)	C(CCC)(CCO)(NOO)	C(CCC)2(H)	118.7220	0.000	1	118.7220	0.000	1	118.7220	0.000	1	120.9745	10.148	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:3:	3:3:3:	C[6]-4:C-3:C-3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(C[6]C[6]2Pd)(CC[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Pd)(CC[6]C)	C(C[6a]C[6a]2)2(CC[6]C)	C(C[6]C[6]2Pd)(CC[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]Pd)(CC[6]C)	C(C[6a]C[6a]2)2(CC[6]C)	124.4570	0.000	1	124.4570	0.000	1	124.4570	0.000	1	121.0267	8.955	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:3:	3:3:3:	Ga-4:C-3:C-3:	C-3:N-3:N-3:	C-3:N-3:N-3:	C(GaCl3)(CNN)2	C(CGaC)(NCC)2	C(CGaC)(NCC)2	C(GaCl3)(CNN)2	C(CGaC)(NCC)2	C(CGaC)(NCC)2	119.3115	0.510	2	119.3115	0.260	2	119.3115	0.260	2	121.0267	8.955	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:3:	4:3:1:	P-4:C-3:C-3:	C[6a]-3:C-3:C-3:	C-4:C-3:O-1:	C(PC[6a]2O)(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(CCP)	C(CCHH)(CCP)(O)	C(PC[6a]2O)(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(CCP)	C(CCHH)(CCP)(O)	120.4140	0.000	1	120.4140	0.000	1	120.4140	0.000	1	120.4140	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:3:	4:3:2:	S-4:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C-4:C-3:N-2:	C(SC[6a]OO)(CC[6a]2)(CCN)	C(C[6a]C[6a]2)2(CCS)	C(CCHH)(CCS)(NO)	C(SC[6a]OO)(CC[6a]2)(CCN)	C(C[6a]C[6a]2)2(CCS)	C(CCHH)(CCS)(NO)	124.6715	1.358	2	124.6715	1.845	2	124.6715	1.845	2	124.6715	1.845	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:3:3:	4:4:3:	B-4:C-3:C-3:	C[6a]-3:C-3:C-3:	Si-4:C-4:C-3:	C(BC[6a]N[6]Cl)(CC[6a]C)(CSiC)	C(C[6a]C[6a]2)(CSiC)(CBC)	C(SiC3)(CH3)(CBC)	C(BC[6a]N[6]Cl)(CC[6a]C)(CSiC)	C(C[6a]C[6a]2)(CSiC)(CBC)	C(SiC3)(CH3)(CBC)	119.9010	0.000	1	119.9010	0.000	1	119.9010	0.000	1	119.9010	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:4:1:	3:1:1:	C[5]-4:C-3:C-3:	C-3:C-4:O-1:	C-3:H-1:H-1:	C(C[5]C[5,6a]C[5]N)(CCO)(CHH)	C(CC[5]C)(CH3)(O)	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[5]N)(CCO)(CHH)	C(CC[5]C)(CH3)(O)	C(CC[5]C)(H)2	120.0820	0.000	1	120.0820	0.000	1	120.0820	0.000	1	119.5135	11.211	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:4:1:	3:1:1:	C[6]-4:C-3:C-3:	C-3:C-4:H-1:	C-3:H-1:O-1:	C(C[6]C[6]2H)(CCH)(CHO)	C(CC[6]C)(CH3)(H)	C(CC[6]C)(H)(O)	C(C[6]C[6]2H)(CCH)(CHO)	C(CC[6]C)(CH3)(H)	C(CC[6]C)(H)(O)	114.6540	0.000	1	114.6540	0.000	1	114.6540	0.000	1	119.5135	11.211	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:4:1:	3:1:1:	C[6]-4:C-3:C-3:	C-3:C-4:O-1:	C-3:H-1:H-1:	C(C[6]C[6]2C)(CCO)(CHH)	C(CC[6]C)(CH3)(O)	C(CC[6]C)(H)2	C(C[6]C[6]2C)(CCO)(CHH)	C(CC[6]C)(CH3)(O)	C(CC[6]C)(H)2	121.1650	0.000	1	121.1650	0.000	1	121.6590	0.488	2	119.5135	11.211	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:4:1:	3:1:1:	C[6]-4:C-3:C-3:	C-3:C-4:O-1:	C-3:H-1:H-1:	C(C[6]C[6]N[6]H)(CCO)(CHH)	C(CC[6]C)(CH3)(O)	C(CC[6]C)(H)2	C(C[6]C[6]N[6]H)(CCO)(CHH)	C(CC[6]C)(CH3)(O)	C(CC[6]C)(H)2	122.1530	0.000	1	122.1530	0.000	1	121.6590	0.488	2	119.5135	11.211	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:4:1:	3:4:1:	C[5]-4:C-3:C-3:	C-3:C-4:H-1:	C-3:C-4:O-1:	C(C[5]C[5]N[5]H)(CCH)(CCO)	C(CC[5]C)(CCHH)(H)	C(CC[5]C)(CCHH)(O)	C(C[5]C[5]N[5]H)(CCH)(CCO)	C(CC[5]C)(CCHH)(H)	C(CC[5]C)(CCHH)(O)	121.1430	0.000	1	121.1430	0.000	1	120.5310	0.749	2	120.5310	0.749	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:4:1:	3:4:1:	C[5]-4:C-3:C-3:	C-3:C-4:H-1:	C-3:C-4:O-1:	C(C[5]C[5]N[5]H)(CCH)(CCO)	C(CC[5]C)(CCHH)(H)	C(CC[5]C)(CH3)(O)	C(C[5]C[5]N[5]H)(CCH)(CCO)	C(CC[5]C)(CCHH)(H)	C(CC[5]C)(CH3)(O)	119.9190	0.000	1	119.9190	0.000	1	120.5310	0.749	2	120.5310	0.749	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:4:2:	3:2:1:	C[5]-4:C-3:C-3:	C-3:C-4:O-2:	C-3:O-2:O-1:	C(C[5]C[5]N[5]H)(CCO)(COO)	C(CC[5]C)(CCHH)(OSi)	C(CC[5]C)(OC)(O)	C(C[5]C[5]N[5]H)(CCO)(COO)	C(CC[5]C)(CCHH)(OSi)	C(CC[5]C)(OC)(O)	121.5905	1.761	4	121.5905	3.103	4	121.5905	3.103	4	121.5905	3.103	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:4:3:	3:1:1:	C-4:C-3:C-3:	C-3:C-4:C-3:	C-3:H-1:H-1:	C(CH3)(CCC)(CHH)	C(CIrH)(CH3)(CCC)	C(CCC)(H)2	C(CH3)(CCC)(CHH)	C(CIrH)(CH3)(CCC)	C(CCC)(H)2	122.1580	0.000	1	122.1580	0.000	1	122.2260	0.009	2	121.1758	1.605	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:4:3:	3:1:1:	C-4:C-3:C-3:	C-3:C-4:C-3:	C-3:H-1:H-1:	C(CH3)(CCC)(CHH)	C(CSiH)(CH3)(CCC)	C(CCC)(H)2	C(CH3)(CCC)(CHH)	C(CSiH)(CH3)(CCC)	C(CCC)(H)2	122.2940	0.000	1	122.2940	0.000	1	122.2260	0.009	2	121.1758	1.605	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:4:3:	3:1:1:	C-4:C-3:C-3:	C-3:C-4:C-3:	C-3:H-1:O-1:	C(CCHH)(CCC)(CHO)	C(CC[6]O)(CH3)(CCC)	C(CCC)(H)(O)	C(CCHH)(CCC)(CHO)	C(CC[6]O)(CH3)(CCC)	C(CCC)(H)(O)	121.0735	0.767	2	121.0735	0.589	2	121.0735	0.589	2	121.1758	1.605	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:4:3:	3:1:1:	P-4:C-3:C-3:	C[6]-3:S-4:C-3:	C-3:H-1:H-1:	C(PC[6a]2O)(CC[6]S)(CHH)	C(C[6]C[6]2)(SC[6a]OO)(CCP)	C(CCP)(H)2	C(PC[6a]2O)(CC[6]S)(CHH)	C(C[6]C[6]2)(SC[6a]OO)(CCP)	C(CCP)(H)2	119.2800	0.000	1	119.2800	0.000	1	119.2800	0.000	1	121.1758	1.605	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:4:3:	3:2:1:	C[5]-4:C-3:C-3:	C-3:C-4:C-3:	C-3:O-2:O-1:	C(C[5]C[5,5]C[5]H)(CCC)(COO)	C(CC[5]C)(CCCH)(COO)	C(CC[5]C)(OC)(O)	C(C[5]C[5,5]C[5]H)(CCC)(COO)	C(CC[5]C)(CCCH)(COO)	C(CC[5]C)(OC)(O)	118.5660	0.000	1	118.5660	0.000	1	118.5660	0.000	1	118.5660	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:4:3:	3:4:3:	C-4:C-3:C-3:	N-3:C-4:C-3:	N-3:C-4:C-3:	C(CH3)(CCN)2	C(NC[6a]Fe)(CH3)(CCC)	C(NC[6a]Fe)(CH3)(CCC)	C(CH3)(CCN)2	C(NC[6a]Fe)(CH3)(CCC)	C(NC[6a]Fe)(CH3)(CCC)	124.4319	0.936	17	124.4319	0.877	17	124.4319	0.877	17	124.3499	0.840	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:4:3:	3:4:3:	C-4:C-3:C-3:	N-3:C-4:C-3:	O-3:C-4:C-3:	C(CH3)(CCN)(CCO)	C(NC[6a]Li)(CH3)(CCC)	C(OLi2)(CH3)(CCC)	C(CH3)(CCN)(CCO)	C(NC[6a]Li)(CH3)(CCC)	C(OLi2)(CH3)(CCC)	123.6530	0.112	2	123.6530	0.012	2	123.6530	0.012	2	124.3499	0.840	19	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:4:3:	4:3:1:	C-4:C-3:C-3:	N-3:C-4:C-3:	C-4:C-3:O-1:	C(CH3)(CCN)(CCO)	C(NC[6a]H)(CH3)(CCC)	C(CH3)(CCC)(O)	C(CH3)(CCN)(CCO)	C(NC[6a]H)(CH3)(CCC)	C(CH3)(CCC)(O)	120.3815	0.299	2	120.3815	0.089	2	120.3815	0.089	2	120.3815	0.089	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:4:3:	4:3:3:	C-4:C-3:C-3:	B-3:C-4:C-3:	C-4:C-3:C-3:	C(CCHH)(CBC)(CCC)	C(BC[6a]O)(CCHH)(CCC)	C(CCHH)(CCC)2	C(CCHH)(CBC)(CCC)	C(BC[6a]O)(CCHH)(CCC)	C(CCHH)(CCC)2	121.6260	0.000	1	121.6260	0.000	1	123.1460	0.988	5	123.1460	0.988	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:4:3:	4:3:3:	C-4:C-3:C-3:	B-3:C-4:C-3:	C-4:C-3:C-3:	C(CH3)(CBC)(CCC)	C(BC[6a]O)(CH3)(CCC)	C(CH3)(CCC)2	C(CH3)(CBC)(CCC)	C(BC[6a]O)(CH3)(CCC)	C(CH3)(CCC)2	123.5260	0.595	4	123.5260	0.355	4	123.1460	0.988	5	123.1460	0.988	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	3:4:3:	4:4:3:	C-4:C-3:C-3:	N-3:C-4:C-3:	O-4:C-4:C-3:	C(CH3)(CCN)(CCO)	C(NC[6a]Li)(CH3)(CCC)	C(OLi3)(CH3)(CCC)	C(CH3)(CCN)(CCO)	C(NC[6a]Li)(CH3)(CCC)	C(OLi3)(CH3)(CCC)	123.8810	0.635	4	123.8810	0.403	4	123.8810	0.403	4	123.8810	0.403	4	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	2:3:1:	C-4:C-3:C-3:	C-4:C-3:O-1:	O-2:C-3:H-1:	C(CH3)(CCO)(CHO)	C(CC[6a]CO)(CCC)(O)	C(OC[6a])(CCC)(H)	C(CH3)(CCO)(CHO)	C(CC[6a]CO)(CCC)(O)	C(OC[6a])(CCC)(H)	125.6950	0.000	1	125.6950	0.000	1	125.6950	0.000	1	125.6950	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:1:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:H-1:O-1:	C(CCHH)(CCH)(CHO)	C(CCHH)(CCC)(H)	C(CCC)(H)(O)	C(CCHH)(CCH)(CHO)	C(CCHH)(CCC)(H)	C(CCC)(H)(O)	116.2415	0.949	4	116.2415	0.900	4	116.2670	0.608	8	118.0803	7.675	18	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:1:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:H-1:O-1:	C(CC[6a]CH)(CCH)(CHO)	C(CC[5]HH)(CCC)(H)	C(CCC)(H)(O)	C(CC[6a]CH)(CCH)(CHO)	C(CC[5]HH)(CCC)(H)	C(CCC)(H)(O)	115.5900	0.000	1	115.5900	0.000	1	116.2670	0.608	8	118.0803	7.675	18	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:1:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:H-1:O-1:	C(CH3)(CCH)(CHO)	C(CC[5,6,6]HH)(CCC)(H)	C(CCC)(H)(O)	C(CH3)(CCH)(CHO)	C(CC[5,6,6]HH)(CCC)(H)	C(CCC)(H)(O)	116.7525	0.764	2	116.7525	0.584	2	116.2670	0.608	8	118.0803	7.675	18	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:1:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:H-1:O-1:	C(CH3)(CCH)(CHO)	C(CC[5]CH)(CCC)(H)	C(CCC)(H)(O)	C(CH3)(CCH)(CHO)	C(CC[5]CH)(CCC)(H)	C(CCC)(H)(O)	116.0750	0.000	1	116.0750	0.000	1	116.2670	0.608	8	118.0803	7.675	18	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:1:1:	C-4:C-3:C-3:	C-4:C-3:O-1:	C-3:H-1:H-1:	C(CCCH)(CCO)(CHH)	C(CCHO)(CCC)(O)	C(CCC)(H)2	C(CCCH)(CCO)(CHH)	C(CCHO)(CCC)(O)	C(CCC)(H)2	120.0480	0.000	1	120.0480	0.000	1	121.2609	1.089	7	118.0803	7.675	18	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:1:1:	C-4:C-3:C-3:	C-4:C-3:O-1:	C-3:H-1:H-1:	C(CC[6a]C[5]H)(CCO)(CHH)	C(CH3)(CCC)(O)	C(CCC)(H)2	C(CC[6a]C[5]H)(CCO)(CHH)	C(CH3)(CCC)(O)	C(CCC)(H)2	121.2845	0.166	2	121.2845	0.028	2	121.2609	1.089	7	118.0803	7.675	18	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:1:1:	C-4:C-3:C-3:	C-4:C-3:O-1:	C-3:H-1:H-1:	C(CC[6a]HN)(CCO)(CHH)	C(CH3)(CCC)(O)	C(CCC)(H)2	C(CC[6a]HN)(CCO)(CHH)	C(CH3)(CCC)(O)	C(CCC)(H)2	121.4637	1.517	3	121.4637	2.300	3	121.2609	1.089	7	118.0803	7.675	18	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:1:1:	C-4:C-3:C-3:	C-4:C-3:O-1:	C-3:H-1:H-1:	C(CC[6a]N[5a]H)(CCO)(CHH)	C(CH3)(CCC)(O)	C(CCC)(H)2	C(CC[6a]N[5a]H)(CCO)(CHH)	C(CH3)(CCC)(O)	C(CCC)(H)2	121.8180	0.000	1	121.8180	0.000	1	121.2609	1.089	7	118.0803	7.675	18	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:1:1:	C-4:C-3:C-3:	C[6]-4:C-3:H-1:	C-3:H-1:O-1:	C(CC[5]HH)(CC[6]H)(CHO)	C(C[6]C[3,6]C[6]H)(CCC)(H)	C(CCC)(H)(O)	C(CC[5]HH)(CC[6]H)(CHO)	C(C[6]C[3,6]C[6]H)(CCC)(H)	C(CCC)(H)(O)	115.1500	0.000	1	115.1500	0.000	1	115.1500	0.000	1	118.0803	7.675	18	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:1:1:	C[5]-4:C-3:C-3:	C-4:C-3:H-1:	C-3:H-1:O-1:	C(C[5]C[5]2H)(CCH)(CHO)	C(CC[5]HH)(CC[5]C)(H)	C(CC[5]C)(H)(O)	C(C[5]C[5]2H)(CCH)(CHO)	C(CC[5]HH)(CC[5]C)(H)	C(CC[5]C)(H)(O)	115.6665	1.525	2	115.6665	2.326	2	115.6665	2.326	2	118.0803	7.675	18	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:N-2:H-1:	C(CH3)(CCH)(CHN)	C(CCHH)(CCC)(H)	C(CCC)(NN)(H)	C(CH3)(CCH)(CHN)	C(CCHH)(CCC)(H)	C(CCC)(NN)(H)	117.8765	1.310	2	117.8765	1.717	2	117.8765	1.717	2	120.4670	10.147	69	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CC3)(CCH)(COO)	C(CC3)(CCC)(H)	C(CCC)(OH)(O)	C(CC3)(CCH)(COO)	C(CC3)(CCC)(H)	C(CCC)(OH)(O)	111.2980	0.000	1	111.2980	0.000	1	120.5329	9.815	56	120.4670	10.147	69	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCCH)(CCH)(COO)	C(CHHN)(CCC)(H)	C(CCC)(OC)(O)	C(CCCH)(CCH)(COO)	C(CHHN)(CCC)(H)	C(CCC)(OC)(O)	115.4060	0.000	1	115.4060	0.000	1	120.5329	9.815	56	120.4670	10.147	69	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCCH)(CCH)(COO)	C(CN[5]HH)(CCC)(H)	C(CCC)(OC)(O)	C(CCCH)(CCH)(COO)	C(CN[5]HH)(CCC)(H)	C(CCC)(OC)(O)	120.1500	0.000	1	120.1500	0.000	1	120.5329	9.815	56	120.4670	10.147	69	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCHH)(CCH)(COO)	C(CBrCH)(CCC)(H)	C(CCC)(OC)(O)	C(CCHH)(CCH)(COO)	C(CBrCH)(CCC)(H)	C(CCC)(OC)(O)	119.4200	0.000	1	119.4200	0.000	1	120.5329	9.815	56	120.4670	10.147	69	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCHH)(CCH)(COO)	C(CCCH)(CCC)(H)	C(CCC)(OC)(O)	C(CCHH)(CCH)(COO)	C(CCCH)(CCC)(H)	C(CCC)(OC)(O)	121.3310	0.000	1	121.3310	0.000	1	120.5329	9.815	56	120.4670	10.147	69	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCHH)(CCH)(COO)	C(CCHH)(CCC)(H)	C(CCC)(OC)(O)	C(CCHH)(CCH)(COO)	C(CCHH)(CCC)(H)	C(CCC)(OC)(O)	119.4550	0.000	1	119.4550	0.000	1	120.5329	9.815	56	120.4670	10.147	69	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCHH)(CCH)(COO)	C(CCHH)(CCC)(H)	C(CCC)(OH)(O)	C(CCHH)(CCH)(COO)	C(CCHH)(CCC)(H)	C(CCC)(OH)(O)	124.0445	0.930	2	124.0445	0.865	2	120.5329	9.815	56	120.4670	10.147	69	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCHH)(CCH)(COO)	C(CC[5]CH)(CCC)(H)	C(CCC)(OC)(O)	C(CCHH)(CCH)(COO)	C(CC[5]CH)(CCC)(H)	C(CCC)(OC)(O)	120.5400	0.000	1	120.5400	0.000	1	120.5329	9.815	56	120.4670	10.147	69	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCHH)(CCH)(COO)	C(CC[6]HH)(CCC)(H)	C(CCC)(OC)(O)	C(CCHH)(CCH)(COO)	C(CC[6]HH)(CCC)(H)	C(CCC)(OC)(O)	122.4590	0.000	1	122.4590	0.000	1	120.5329	9.815	56	120.4670	10.147	69	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCHH)(CCH)(COO)	C(CC[6a]2C)(CCC)(H)	C(CCC)(OC)(O)	C(CCHH)(CCH)(COO)	C(CC[6a]2C)(CCC)(H)	C(CCC)(OC)(O)	128.1620	0.000	1	128.1620	0.000	1	120.5329	9.815	56	120.4670	10.147	69	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCHO)(CCH)(COO)	C(CCHH)(CCC)(H)	C(CCC)(OH)(O)	C(CCHO)(CCH)(COO)	C(CCHH)(CCC)(H)	C(CCC)(OH)(O)	122.4375	0.260	2	122.4375	0.067	2	120.5329	9.815	56	120.4670	10.147	69	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CCHS)(CCH)(COO)	C(CCHH)(CCC)(H)	C(CCC)(OC)(O)	C(CCHS)(CCH)(COO)	C(CCHH)(CCC)(H)	C(CCC)(OC)(O)	119.6170	0.000	1	119.6170	0.000	1	120.5329	9.815	56	120.4670	10.147	69	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[5a]C[6a]H)(CCH)(COO)	C(CHHO)(CCC)(H)	C(CCC)(OC)(O)	C(CC[5a]C[6a]H)(CCH)(COO)	C(CHHO)(CCC)(H)	C(CCC)(OC)(O)	119.7240	0.648	2	119.7240	0.420	2	120.5329	9.815	56	120.4670	10.147	69	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]CH)(CCH)(COO)	C(CCHH)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6a]CH)(CCH)(COO)	C(CCHH)(CCC)(H)	C(CCC)(OC)(O)	115.1350	0.000	1	115.1350	0.000	1	120.5329	9.815	56	120.4670	10.147	69	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]C[5]H)(CCH)(COO)	C(CHHO)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6a]C[5]H)(CCH)(COO)	C(CHHO)(CCC)(H)	C(CCC)(OC)(O)	119.8730	2.772	2	119.8730	7.683	2	120.5329	9.815	56	120.4670	10.147	69	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]HN)(CCH)(COO)	C(CC[6]HH)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6a]HN)(CCH)(COO)	C(CC[6]HH)(CCC)(H)	C(CCC)(OC)(O)	115.0780	0.000	1	115.0780	0.000	1	120.5329	9.815	56	120.4670	10.147	69	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]HN)(CCH)(COO)	C(CC[6]HH)(CCC)(H)	C(CCC)(OH)(O)	C(CC[6a]HN)(CCH)(COO)	C(CC[6]HH)(CCC)(H)	C(CCC)(OH)(O)	120.0390	0.000	1	120.0390	0.000	1	120.5329	9.815	56	120.4670	10.147	69	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CH3)(CCH)(COO)	C(CCHH)(CCC)(H)	C(CCC)(OH)(O)	C(CH3)(CCH)(COO)	C(CCHH)(CCC)(H)	C(CCC)(OH)(O)	122.3794	2.709	5	122.3794	7.339	5	120.5329	9.815	56	120.4670	10.147	69	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CH3)(CCH)(COO)	C(CCHO)(CCC)(H)	C(CCC)(OH)(O)	C(CH3)(CCH)(COO)	C(CCHO)(CCC)(H)	C(CCC)(OH)(O)	118.2106	1.398	5	118.2106	1.953	5	120.5329	9.815	56	120.4670	10.147	69	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CH3)(CCH)(COO)	C(CC[5]CH)(CCC)(H)	C(CCC)(OC)(O)	C(CH3)(CCH)(COO)	C(CC[5]CH)(CCC)(H)	C(CCC)(OC)(O)	118.7360	0.000	1	118.7360	0.000	1	120.5329	9.815	56	120.4670	10.147	69	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CH3)(CCH)(COO)	C(CC[5]HO)(CCC)(H)	C(CCC)(OC)(O)	C(CH3)(CCH)(COO)	C(CC[5]HO)(CCC)(H)	C(CCC)(OC)(O)	120.2420	0.000	1	120.2420	0.000	1	120.5329	9.815	56	120.4670	10.147	69	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CH3)(CCH)(COO)	C(CC[6a]HH)(CCC)(H)	C(CCC)(OC)(O)	C(CH3)(CCH)(COO)	C(CC[6a]HH)(CCC)(H)	C(CCC)(OC)(O)	119.8680	0.000	1	119.8680	0.000	1	120.5329	9.815	56	120.4670	10.147	69	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CH3)(CCH)(COO)	C(CH3)(CCC)(H)	C(CCC)(OC)(O)	C(CH3)(CCH)(COO)	C(CH3)(CCC)(H)	C(CCC)(OC)(O)	121.5664	1.979	16	121.5664	3.916	16	120.5329	9.815	56	120.4670	10.147	69	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CH3)(CCH)(COO)	C(CHHO)(CCC)(H)	C(CCC)(OC)(O)	C(CH3)(CCH)(COO)	C(CHHO)(CCC)(H)	C(CCC)(OC)(O)	118.6677	2.191	3	118.6677	4.801	3	120.5329	9.815	56	120.4670	10.147	69	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CH3)(CCH)(COO)	C(CHHO)(CCC)(H)	C(CCC)(OH)(O)	C(CH3)(CCH)(COO)	C(CHHO)(CCC)(H)	C(CCC)(OH)(O)	115.5380	0.000	1	115.5380	0.000	1	120.5329	9.815	56	120.4670	10.147	69	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CHHO)(CCH)(COO)	C(CH3)(CCC)(H)	C(CCC)(OC)(O)	C(CHHO)(CCH)(COO)	C(CH3)(CCC)(H)	C(CCC)(OC)(O)	126.8180	0.000	1	126.8180	0.000	1	120.5329	9.815	56	120.4670	10.147	69	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:O-2:O-1:	C(CIrCC)(CCH)(COO)	C(CIrHH)(CCC)(H)	C(CCC)(OC)(O)	C(CIrCC)(CCH)(COO)	C(CIrHH)(CCC)(H)	C(CCC)(OC)(O)	124.3750	0.000	1	124.3750	0.000	1	120.5329	9.815	56	120.4670	10.147	69	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:1:	C-4:C-3:C-3:	C[6]-4:C-3:H-1:	C-3:O-2:O-1:	C(CC[6a]C[6]H)(CC[6]H)(COO)	C(C[6]C[6]2H)(CCC)(H)	C(CCC)(OC)(O)	C(CC[6a]C[6]H)(CC[6]H)(COO)	C(C[6]C[6]2H)(CCC)(H)	C(CCC)(OC)(O)	116.9610	0.000	1	116.9610	0.000	1	116.9610	0.000	1	120.4670	10.147	69	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:1:	C[5]-4:C-3:C-3:	C[5]-4:C-3:H-1:	C-3:O-2:O-1:	C(C[5]C[5,6a]C[5]H)(CC[5]H)(COO)	C(C[5]C[5]N[5]H)(CC[5]C)(H)	C(CC[5]C)(OC)(O)	C(C[5]C[5,6a]C[5]H)(CC[5]H)(COO)	C(C[5]C[5]N[5]H)(CC[5]C)(H)	C(CC[5]C)(OC)(O)	118.5197	0.189	3	118.5197	0.036	3	118.5197	0.036	3	120.4670	10.147	69	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:1:	P-4:C-3:C-3:	C-4:C-3:O-1:	C-3:O-2:O-1:	C(PC[6a]3)(CCO)(COO)	C(CCHH)(CCP)(O)	C(CCP)(OC)(O)	C(PC[6a]3)(CCO)(COO)	C(CCHH)(CCP)(O)	C(CCP)(OC)(O)	121.4020	0.000	1	121.4020	0.000	1	123.8948	7.803	4	120.4670	10.147	69	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:1:	P-4:C-3:C-3:	C-4:C-3:O-1:	C-3:O-2:O-1:	C(PC[6a]3)(CCO)(COO)	C(CH3)(CCP)(O)	C(CCP)(OC)(O)	C(PC[6a]3)(CCO)(COO)	C(CH3)(CCP)(O)	C(CCP)(OC)(O)	124.7257	2.750	3	124.7257	7.562	3	123.8948	7.803	4	120.4670	10.147	69	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:1:	P-4:C-3:C-3:	C[5]-4:C-3:O-1:	C-3:O-2:O-1:	C(PC[6a]3)(CC[5]O)(COO)	C(C[5]C[5]O[5]H)(CCP)(O)	C(CCP)(OC)(O)	C(PC[6a]3)(CC[5]O)(COO)	C(C[5]C[5]O[5]H)(CCP)(O)	C(CCP)(OC)(O)	122.0190	0.436	2	122.0190	0.190	2	122.0190	0.190	2	120.4670	10.147	69	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:1:	Si-4:C-3:C-3:	Si-4:C-3:H-1:	C-3:O-2:O-1:	C(SiC3)(CSiH)(COO)	C(SiC[5]ClN)(CSiC)(H)	C(CSiC)(OC)(O)	C(SiC3)(CSiH)(COO)	C(SiC[5]ClN)(CSiC)(H)	C(CSiC)(OC)(O)	114.4940	0.000	1	114.4940	0.000	1	114.4940	0.000	1	120.4670	10.147	69	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:2:2:	C-4:C-3:C-3:	C-4:C-3:O-1:	C-3:S-2:S-2:	C(CC[6a]CH)(CCO)(CSS)	C(CH3)(CCC)(O)	C(CCC)(SC)2	C(CC[6a]CH)(CCO)(CSS)	C(CH3)(CCC)(O)	C(CCC)(SC)2	119.2640	0.000	1	119.2640	0.000	1	119.2640	0.000	1	119.2640	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:3:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCHH)(CCH)2	C(CCHH)(CCC)(H)	C(CCC)(CCH)(H)	C(CCHH)(CCH)2	C(CCHH)(CCC)(H)	C(CCC)(CCH)(H)	117.7410	0.000	1	117.7410	0.000	1	118.6408	4.135	18	120.2744	12.462	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:3:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CCHH)(CCH)2	C(CCHO)(CCC)(H)	C(CCC)(CHH)(H)	C(CCHH)(CCH)2	C(CCHO)(CCC)(H)	C(CCC)(CHH)(H)	118.8210	0.430	2	118.8210	0.185	2	118.6408	4.135	18	120.2744	12.462	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:3:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CH3)(CCH)2	C(CCCH)(CCC)(H)	C(CCC)(CCH)(H)	C(CH3)(CCH)2	C(CCCH)(CCC)(H)	C(CCC)(CCH)(H)	116.5730	0.000	1	116.5730	0.000	1	118.6408	4.135	18	120.2744	12.462	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:3:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CH3)(CCH)2	C(CCCH)(CCC)(H)	C(CCC)2(H)	C(CH3)(CCH)2	C(CCCH)(CCC)(H)	C(CCC)2(H)	115.1090	0.000	1	115.1090	0.000	1	118.6408	4.135	18	120.2744	12.462	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:3:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CH3)(CCH)2	C(CCHH)(CCC)(H)	C(CCC)(CCH)(H)	C(CH3)(CCH)2	C(CCHH)(CCC)(H)	C(CCC)(CCH)(H)	117.9676	0.937	5	117.9676	0.878	5	118.6408	4.135	18	120.2744	12.462	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:3:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CH3)(CCH)2	C(CCHN)(CCC)(H)	C(CCC)(CCH)(H)	C(CH3)(CCH)2	C(CCHN)(CCC)(H)	C(CCC)(CCH)(H)	118.9880	1.201	2	118.9880	1.442	2	118.6408	4.135	18	120.2744	12.462	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:3:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CH3)(CCH)2	C(CC[6]HH)(CCC)(H)	C(CCC)(CHH)(H)	C(CH3)(CCH)2	C(CC[6]HH)(CCC)(H)	C(CCC)(CHH)(H)	119.8990	0.392	2	119.8990	0.153	2	118.6408	4.135	18	120.2744	12.462	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:3:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CH3)(CCH)2	C(CC[6]HH)(CCC)(H)	C(CC[6]H)(CCC)(H)	C(CH3)(CCH)2	C(CC[6]HH)(CCC)(H)	C(CC[6]H)(CCC)(H)	121.7600	0.000	1	121.7600	0.000	1	118.6408	4.135	18	120.2744	12.462	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:3:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CH3)(CCH)2	C(CC[6]HN)(CCC)(H)	C(CCC)(CCH)(H)	C(CH3)(CCH)2	C(CC[6]HN)(CCC)(H)	C(CCC)(CCH)(H)	117.6425	1.800	2	117.6425	3.239	2	118.6408	4.135	18	120.2744	12.462	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:3:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:C-3:H-1:	C(CH3)(CCH)2	C(CH3)(CCC)(H)	C(CCC)2(H)	C(CH3)(CCH)2	C(CH3)(CCC)(H)	C(CCC)2(H)	123.8130	0.000	1	123.8130	0.000	1	118.6408	4.135	18	120.2744	12.462	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:3:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:C-3:O-1:	C(CH3)(CCH)(CCO)	C(CCHH)(CCC)(H)	C(CCC)(CCH)(O)	C(CH3)(CCH)(CCO)	C(CCHH)(CCC)(H)	C(CCC)(CCH)(O)	116.8685	0.231	2	116.8685	0.053	2	118.2950	6.131	3	120.2744	12.462	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:3:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:C-3:O-1:	C(CHHO)(CCH)(CCO)	C(CCHH)(CCC)(H)	C(CCC)(CCH)(O)	C(CHHO)(CCH)(CCO)	C(CCHH)(CCC)(H)	C(CCC)(CCH)(O)	121.1480	0.000	1	121.1480	0.000	1	118.2950	6.131	3	120.2744	12.462	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:3:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-3:N-3:O-1:	C(CH3)(CCH)(CNO)	C(CCHH)(CCC)(H)	C(CCC)(NCC)(O)	C(CH3)(CCH)(CNO)	C(CCHH)(CCC)(H)	C(CCC)(NCC)(O)	118.8530	0.000	1	118.8530	0.000	1	118.8530	0.000	1	120.2744	12.462	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:3:1:	C-4:C-3:C-3:	C-4:C-3:O-1:	C-3:C-3:H-1:	C(CF3)(CCH)(CCO)	C(CC[5]HH)(CCC)(O)	C(CN[5]O)(CCC)(H)	C(CF3)(CCH)(CCO)	C(CC[5]HH)(CCC)(O)	C(CN[5]O)(CCC)(H)	126.7310	0.000	1	126.7310	0.000	1	124.2602	8.278	5	120.2744	12.462	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:3:1:	C-4:C-3:C-3:	C-4:C-3:O-1:	C-3:C-3:H-1:	C(CH3)(CCH)(CCO)	C(CC[5]HH)(CCC)(O)	C(CN[5]O)(CCC)(H)	C(CH3)(CCH)(CCO)	C(CC[5]HH)(CCC)(O)	C(CN[5]O)(CCC)(H)	126.1505	0.059	2	126.1505	0.003	2	124.2602	8.278	5	120.2744	12.462	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:3:1:	C-4:C-3:C-3:	C-4:C-3:O-1:	C-3:C-3:H-1:	C(CN[5a]CH)(CCH)(CCO)	C(CH3)(CCC)(O)	C(CCC)2(H)	C(CN[5a]CH)(CCH)(CCO)	C(CH3)(CCC)(O)	C(CCC)2(H)	121.1345	0.565	2	121.1345	0.319	2	124.2602	8.278	5	120.2744	12.462	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:3:1:	C-4:C-3:C-3:	S-4:C-3:H-1:	C-3:C-3:H-1:	C(CH3)(CCH)(CHS)	C(SC[6a]OO)(CCC)(H)	C(CCC)(CHH)(H)	C(CH3)(CCH)(CHS)	C(SC[6a]OO)(CCC)(H)	C(CCC)(CHH)(H)	124.6120	0.000	1	124.6120	0.000	1	124.5935	0.001	2	120.2744	12.462	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:3:1:	C-4:C-3:C-3:	S-4:C-3:H-1:	C-3:C-3:H-1:	C(CH3)(CCH)(CHS)	C(SC[6a]OO)(CCC)(H)	C(CC[6a]C)(CCC)(H)	C(CH3)(CCH)(CHS)	C(SC[6a]OO)(CCC)(H)	C(CC[6a]C)(CCC)(H)	124.5750	0.000	1	124.5750	0.000	1	124.5935	0.001	2	120.2744	12.462	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	3:3:1:	P-4:C-3:C-3:	C[5]-4:C-3:O-1:	C[6a]-3:C-3:O-1:	C(PC[6a]3)(CC[6a]O)(CC[5]O)	C(C[5]C[5]O[5]H)(CCP)(O)	C(C[6a]C[6a]2)(CCP)(O)	C(PC[6a]3)(CC[6a]O)(CC[5]O)	C(C[5]C[5]O[5]H)(CCP)(O)	C(C[6a]C[6a]2)(CCP)(O)	128.4700	0.000	1	128.4700	0.000	1	128.4700	0.000	1	120.2744	12.462	30	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	4:3:1:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-4:C-3:O-1:	C(CH3)(CCH)(CCO)	C(CC[5]HO)(CCC)(H)	C(CC[6]HH)(CCC)(O)	C(CH3)(CCH)(CCO)	C(CC[5]HO)(CCC)(H)	C(CC[6]HH)(CCC)(O)	114.9470	0.000	1	114.9470	0.000	1	114.9470	0.000	1	119.3665	10.462	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	4:3:1:	C-4:C-3:C-3:	C-4:C-3:O-1:	C-4:C-3:H-1:	C(CCHH)(CCH)(CCO)	C(CCHH)(CCC)(O)	C(CH3)(CCC)(H)	C(CCHH)(CCH)(CCO)	C(CCHH)(CCC)(O)	C(CH3)(CCC)(H)	117.6530	0.000	2	117.6530	0.000	2	119.3260	3.927	4	119.3665	10.462	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	4:3:1:	C-4:C-3:C-3:	C-4:C-3:O-1:	C-4:C-3:H-1:	C(CH3)(CCH)(CCO)	C(CCCH)(CCC)(O)	C(CCHH)(CCC)(H)	C(CH3)(CCH)(CCO)	C(CCCH)(CCC)(O)	C(CCHH)(CCC)(H)	120.9990	0.765	2	120.9990	0.585	2	119.3260	3.927	4	119.3665	10.462	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	4:3:1:	P-4:C-3:C-3:	C-4:C-3:O-1:	C-4:C-3:O-1:	C(PC[6a]3)(CCO)2	C(CH3)(CCP)(O)	C(CH3)(CCP)(O)	C(PC[6a]3)(CCO)2	C(CH3)(CCP)(O)	C(CH3)(CCP)(O)	123.9480	0.000	1	123.9480	0.000	1	123.9480	0.000	1	119.3665	10.462	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	4:3:3:	C-4:C-3:C-3:	C-4:C-3:H-1:	C-4:C-3:C-3:	C(CC[5]HH)(CCC)(CCH)	C(CC[5]HH)(CCC)(H)	C(CH3)(CCC)(CHH)	C(CC[5]HH)(CCC)(CCH)	C(CC[5]HH)(CCC)(H)	C(CH3)(CCC)(CHH)	121.3620	0.000	1	121.3620	0.000	1	121.3620	0.000	1	121.3620	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	4:4:3:	C-4:C-3:C-3:	C-4:C-3:O-1:	C-4:C-4:C-3:	C(CCHH)(CCC)(CCO)	C(CCHH)(CCC)(O)	C(CH3)2(CCC)	C(CCHH)(CCC)(CCO)	C(CCHH)(CCC)(O)	C(CH3)2(CCC)	122.2370	0.000	1	122.2370	0.000	1	121.8156	0.785	14	121.8156	0.785	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	4:4:3:	C-4:C-3:C-3:	C-4:C-3:O-1:	C-4:C-4:C-3:	C(CCHH)(CCC)(CCO)	C(CCoCC)(CCC)(O)	C(CH3)2(CCC)	C(CCHH)(CCC)(CCO)	C(CCoCC)(CCC)(O)	C(CH3)2(CCC)	122.2050	0.000	1	122.2050	0.000	1	121.8156	0.785	14	121.8156	0.785	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	4:4:3:	C-4:C-3:C-3:	C-4:C-3:O-1:	C-4:C-4:C-3:	C(CC[5,5,6]HH)(CCC)(CCO)	C(CCHH)(CCC)(O)	C(CH3)2(CCC)	C(CC[5,5,6]HH)(CCC)(CCO)	C(CCHH)(CCC)(O)	C(CH3)2(CCC)	121.1667	1.334	3	121.1667	1.780	3	121.8156	0.785	14	121.8156	0.785	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	4:4:3:	C-4:C-3:C-3:	C-4:C-3:O-1:	C-4:C-4:C-3:	C(CC[5,6]HH)(CCC)(CCO)	C(CCHH)(CCC)(O)	C(CH3)2(CCC)	C(CC[5,6]HH)(CCC)(CCO)	C(CCHH)(CCC)(O)	C(CH3)2(CCC)	121.6400	0.394	3	121.6400	0.155	3	121.8156	0.785	14	121.8156	0.785	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:1:	4:4:3:	C-4:C-3:C-3:	C-4:C-3:O-1:	C-4:C-4:C-3:	C(CC[5]HH)(CCC)(CCO)	C(CCHH)(CCC)(O)	C(CH3)2(CCC)	C(CC[5]HH)(CCC)(CCO)	C(CCHH)(CCC)(O)	C(CH3)2(CCC)	122.0927	0.915	6	122.0927	0.837	6	121.8156	0.785	14	121.8156	0.785	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:2:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:O-2:	C-3:O-2:O-1:	C(CC[5]HH)(CCO)(COO)	C(CH3)(CCC)(OC)	C(CCC)(OC)(O)	C(CC[5]HH)(CCO)(COO)	C(CH3)(CCC)(OC)	C(CCC)(OC)(O)	121.6530	2.884	2	121.6530	8.315	2	121.6530	8.315	2	121.6530	8.315	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:2:	3:3:1:	C-4:C-3:C-3:	C-4:C-3:O-2:	C-3:C-3:H-1:	C(CH3)(CCH)(CCO)	C(CH3)(CCC)(OAl)	C(CAlH)(CCC)(H)	C(CH3)(CCH)(CCO)	C(CH3)(CCC)(OAl)	C(CAlH)(CCC)(H)	124.3950	0.000	1	124.3950	0.000	1	124.3950	0.000	1	124.3950	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:2:	3:4:2:	C[6]-4:C-3:C-3:	C[3]-4:C-3:O-2:	C-3:Si-4:C-2:	C(C[6]C[6]2Cr)(CC[3]O)(CSiC)	C(C[3]C[3]2H)(CC[6]C)(OC)	C(CC[6]C)(SiC3)(CO)	C(C[6]C[6]2Cr)(CC[3]O)(CSiC)	C(C[3]C[3]2H)(CC[6]C)(OC)	C(CC[6]C)(SiC3)(CO)	120.3480	0.512	2	120.3480	0.262	2	120.3480	0.262	2	120.3480	0.262	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:2:	4:3:1:	C-4:C-3:C-3:	C-4:C-3:N-2:	C-4:C-3:O-1:	C(CCHH)(CCN)(CCO)	C(CH3)(CCC)(NC)	C(CH3)(CCC)(O)	C(CCHH)(CCN)(CCO)	C(CH3)(CCC)(NC)	C(CH3)(CCC)(O)	121.6410	0.000	1	121.6410	0.000	1	123.6295	7.908	2	121.8967	3.827	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:2:	4:3:1:	C-4:C-3:C-3:	C-4:C-3:N-2:	C-4:C-3:O-1:	C(CC[6a]CH)(CCN)(CCO)	C(CH3)(CCC)(NC)	C(CH3)(CCC)(O)	C(CC[6a]CH)(CCN)(CCO)	C(CH3)(CCC)(NC)	C(CH3)(CCC)(O)	125.6180	0.000	1	125.6180	0.000	1	123.6295	7.908	2	121.8967	3.827	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:2:	4:3:1:	C-4:C-3:C-3:	C-4:C-3:O-2:	C-4:C-3:O-1:	C(CC[6]HN)(CCO)2	C(CH3)(CCC)(OMo)	C(CH3)(CCC)(O)	C(CC[6]HN)(CCO)2	C(CH3)(CCC)(OMo)	C(CH3)(CCC)(O)	121.0302	0.860	4	121.0302	0.740	4	121.0302	0.740	4	121.8967	3.827	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:2:	4:3:2:	C-4:C-3:C-3:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCHH)(CCO)2	C(CH3)(CCC)(OCr)	C(CH3)(CCC)(OCr)	C(CCHH)(CCO)2	C(CH3)(CCC)(OCr)	C(CH3)(CCC)(OCr)	122.1900	0.297	3	122.1900	0.088	3	121.9848	1.590	25	121.9848	1.590	25	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:2:	4:3:2:	C-4:C-3:C-3:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCHH)(CCO)2	C(CH3)(CCC)(OCu)	C(CH3)(CCC)(OCu)	C(CCHH)(CCO)2	C(CH3)(CCC)(OCu)	C(CH3)(CCC)(OCu)	121.0260	0.000	1	121.0260	0.000	1	121.9848	1.590	25	121.9848	1.590	25	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:2:	4:3:2:	C-4:C-3:C-3:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCHH)(CCO)2	C(CH3)(CCC)(ONi)	C(CH3)(CCC)(ONi)	C(CCHH)(CCO)2	C(CH3)(CCC)(ONi)	C(CH3)(CCC)(ONi)	120.8780	0.873	2	120.8780	0.761	2	121.9848	1.590	25	121.9848	1.590	25	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:2:	4:3:2:	C-4:C-3:C-3:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CCHH)(CCO)2	C(CH3)(CCC)(OPd)	C(CH3)(CCC)(OPd)	C(CCHH)(CCO)2	C(CH3)(CCC)(OPd)	C(CH3)(CCC)(OPd)	122.8060	0.352	4	122.8060	0.124	4	121.9848	1.590	25	121.9848	1.590	25	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:2:	4:3:2:	C-4:C-3:C-3:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CC[6a]HH)(CCO)2	C(CH3)(CCC)(OAl)	C(CH3)(CCC)(OAl)	C(CC[6a]HH)(CCO)2	C(CH3)(CCC)(OAl)	C(CH3)(CCC)(OAl)	120.1430	0.460	3	120.1430	0.211	3	121.9848	1.590	25	121.9848	1.590	25	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:2:	4:3:2:	C-4:C-3:C-3:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CC[6a]HH)(CCO)2	C(CH3)(CCC)(OCu)	C(CH3)(CCC)(OCu)	C(CC[6a]HH)(CCO)2	C(CH3)(CCC)(OCu)	C(CH3)(CCC)(OCu)	121.6118	0.721	4	121.6118	0.520	4	121.9848	1.590	25	121.9848	1.590	25	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:2:	4:3:2:	C-4:C-3:C-3:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CC[6a]HH)(CCO)2	C(CH3)(CCC)(OPt)	C(CH3)(CCC)(OPt)	C(CC[6a]HH)(CCO)2	C(CH3)(CCC)(OPt)	C(CH3)(CCC)(OPt)	123.2842	0.987	5	123.2842	0.974	5	121.9848	1.590	25	121.9848	1.590	25	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:2:	4:3:2:	C-4:C-3:C-3:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CH3)(CCO)2	C(CH3)(CCC)(OIr)	C(CH3)(CCC)(OIr)	C(CH3)(CCO)2	C(CH3)(CCC)(OIr)	C(CH3)(CCC)(OIr)	123.3500	0.000	1	123.3500	0.000	1	121.9848	1.590	25	121.9848	1.590	25	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:2:	4:3:2:	C-4:C-3:C-3:	C-4:C-3:O-2:	C-4:C-3:O-2:	C(CH3)(CCO)2	C(CH3)(CCC)(ONi)	C(CH3)(CCC)(ONi)	C(CH3)(CCO)2	C(CH3)(CCC)(ONi)	C(CH3)(CCC)(ONi)	121.1990	1.585	2	121.1990	2.513	2	121.9848	1.590	25	121.9848	1.590	25	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:1:1:	C-4:C-3:C-3:	C-4:C-3:C-3:	C-3:Cl-1:H-1:	C(CCFF)(CClH)(CCC)	C(CCFF)(CClH)(CCC)	C(CCC)(Cl)(H)	C(CCFF)(CClH)(CCC)	C(CCFF)(CClH)(CCC)	C(CCC)(Cl)(H)	117.9210	0.000	1	117.9210	0.000	1	117.9210	0.000	1	120.3591	4.048	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:1:1:	C-4:C-3:C-3:	C-4:C-3:C-3:	C-3:H-1:H-1:	C(CC[6a]HO)(CCC)(CHH)	C(CC[6a]HH)(CB[5]H)(CCC)	C(CCC)(H)2	C(CC[6a]HO)(CCC)(CHH)	C(CC[6a]HH)(CB[5]H)(CCC)	C(CCC)(H)2	120.2670	0.000	2	120.2670	0.000	2	121.6168	1.694	5	120.3591	4.048	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:1:1:	C-4:C-3:C-3:	C-4:C-3:C-3:	C-3:H-1:H-1:	C(CH3)(CCC)(CHH)	C(CC[5]HH)(CCC)(CCH)	C(CCC)(H)2	C(CH3)(CCC)(CHH)	C(CC[5]HH)(CCC)(CCH)	C(CCC)(H)2	122.5060	0.000	1	122.5060	0.000	1	121.6168	1.694	5	120.3591	4.048	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:1:1:	C-4:C-3:C-3:	C-4:C-3:C-3:	C-3:H-1:H-1:	C(CH3)(CCC)(CHH)	C(CH3)(CCC)(CHS)	C(CCC)(H)2	C(CH3)(CCC)(CHH)	C(CH3)(CCC)(CHS)	C(CCC)(H)2	121.9290	0.000	1	121.9290	0.000	1	121.6168	1.694	5	120.3591	4.048	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:1:1:	C-4:C-3:C-3:	C-4:C-3:C-3:	C-3:H-1:H-1:	C(CHHO)(CCC)(CHH)	C(CHHO)(CCC)(CHH)	C(CCC)(H)2	C(CHHO)(CCC)(CHH)	C(CHHO)(CCC)(CHH)	C(CCC)(H)2	123.1150	0.000	1	123.1150	0.000	1	121.6168	1.694	5	120.3591	4.048	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:1:1:	C[5]-4:C-3:C-3:	P[6]-4:C[6]-3:C-3:	C-3:H-1:H-1:	C(C[5]C[5,6a]C[6a]O[5])(CC[6]P[6])(CHH)	C(P[6]O[6]2O)(C[6]C[6]2)(CC[5]C)	C(CC[5]C)(H)2	C(C[5]C[5,6a]C[6a]O[5])(CC[6]P[6])(CHH)	C(P[6]O[6]2O)(C[6]C[6]2)(CC[5]C)	C(CC[5]C)(H)2	118.8160	0.000	1	118.8160	0.000	1	118.8160	0.000	1	120.3591	4.048	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:1:1:	Si-4:C-3:C-3:	C-4:C-3:C-3:	C-3:H-1:H-1:	C(SiC3)(CCC)(CHH)	C(CC[5]HH)(CSiTi)(CSiC)	C(CSiC)(H)2	C(SiC3)(CCC)(CHH)	C(CC[5]HH)(CSiTi)(CSiC)	C(CSiC)(H)2	118.0520	0.000	1	118.0520	0.000	1	118.0520	0.000	1	120.3591	4.048	8	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:C-3:	C-3:N-2:H-1:	C(CF3)(CCC)(CHN)	C(CF3)(CCC)(CHN)	C(CCC)(NC)(H)	C(CF3)(CCC)(CHN)	C(CF3)(CCC)(CHN)	C(CCC)(NC)(H)	121.7420	0.000	1	121.7420	0.000	1	121.7420	0.000	1	120.6054	6.079	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:C-3:	C-3:O-2:O-1:	C(CBrPdC)(CCC)(COO)	C(CPdCP)(CCC)(COO)	C(CCC)(OC)(O)	C(CBrPdC)(CCC)(COO)	C(CPdCP)(CCC)(COO)	C(CCC)(OC)(O)	123.5810	0.000	1	123.5810	0.000	1	123.0062	0.454	6	120.6054	6.079	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:C-3:	C-3:O-2:O-1:	C(CIrCC)(CCC)(COO)	C(CIrCH)(CCC)(COO)	C(CCC)(OC)(O)	C(CIrCC)(CCC)(COO)	C(CIrCH)(CCC)(COO)	C(CCC)(OC)(O)	123.2580	0.000	1	123.2580	0.000	1	123.0062	0.454	6	120.6054	6.079	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:C-3:	C-3:O-2:O-1:	C(CIrCH)(CCC)(COO)	C(CIrCC)(CCC)(COO)	C(CCC)(OC)(O)	C(CIrCH)(CCC)(COO)	C(CIrCC)(CCC)(COO)	C(CCC)(OC)(O)	123.1020	0.000	1	123.1020	0.000	1	123.0062	0.454	6	120.6054	6.079	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:C-3:	C-3:O-2:O-1:	C(CPdCI)(CCC)(COO)	C(CPdCP)(CCC)(COO)	C(CCC)(OC)(O)	C(CPdCI)(CCC)(COO)	C(CPdCP)(CCC)(COO)	C(CCC)(OC)(O)	123.6760	0.000	1	123.6760	0.000	1	123.0062	0.454	6	120.6054	6.079	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:C-3:	C-3:O-2:O-1:	C(CPdCP)(CCC)(COO)	C(CBrPdC)(CCC)(COO)	C(CCC)(OC)(O)	C(CPdCP)(CCC)(COO)	C(CBrPdC)(CCC)(COO)	C(CCC)(OC)(O)	121.9350	0.000	1	121.9350	0.000	1	123.0062	0.454	6	120.6054	6.079	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:C-3:	C-3:O-2:O-1:	C(CPdCP)(CCC)(COO)	C(CPdCI)(CCC)(COO)	C(CCC)(OC)(O)	C(CPdCP)(CCC)(COO)	C(CPdCI)(CCC)(COO)	C(CCC)(OC)(O)	122.4850	0.000	1	122.4850	0.000	1	123.0062	0.454	6	120.6054	6.079	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:C-3:	C-3:S-2:H-1:	C(CH3)(CCC)(CHS)	C(CH3)(CCC)(CHH)	C(CCC)(SCo)(H)	C(CH3)(CCC)(CHS)	C(CH3)(CCC)(CHH)	C(CCC)(SCo)(H)	120.9440	0.000	1	120.9440	0.000	1	120.9440	0.000	1	120.6054	6.079	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:2:1:	C-4:C-3:C-3:	C-4:C-3:N-3:	C-3:O-2:O-1:	C(CCHH)(CCN)(COO)	C(CCHH)(CCC)(NCH)	C(CCC)(OC)(O)	C(CCHH)(CCN)(COO)	C(CCHH)(CCC)(NCH)	C(CCC)(OC)(O)	120.7670	0.180	2	120.7670	0.032	2	120.7670	0.032	2	120.6054	6.079	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:2:1:	C[5]-4:C-3:C-3:	C[5]-4:C-3:C-3:	C-3:O-2:O-1:	C(C[5]C[5]2Fe)(CC[5]C)(COO)	C(C[5]C[5]2Fe)(CC[5]C)(COO)	C(CC[5]C)(OC)(O)	C(C[5]C[5]2Fe)(CC[5]C)(COO)	C(C[5]C[5]2Fe)(CC[5]C)(COO)	C(CC[5]C)(OC)(O)	120.9460	0.040	2	120.9460	0.002	2	120.9460	0.002	2	120.6054	6.079	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:2:1:	Ge-4:C-3:C-3:	P-4:C-3:C-3:	C-3:O-2:O-1:	C(GeC3)(CCP)(COO)	C(PC[6a]2N)(CGeC)(COO)	C(CGeC)(OC)(O)	C(GeC3)(CCP)(COO)	C(PC[6a]2N)(CGeC)(COO)	C(CGeC)(OC)(O)	117.6120	0.000	1	117.6120	0.000	1	117.6120	0.000	1	120.6054	6.079	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:2:1:	P-4:C-3:C-3:	Ge-4:C-3:C-3:	C-3:O-2:O-1:	C(PC[6a]2N)(CGeC)(COO)	C(GeC3)(CCP)(COO)	C(CCP)(OC)(O)	C(PC[6a]2N)(CGeC)(COO)	C(GeC3)(CCP)(COO)	C(CCP)(OC)(O)	118.0680	0.000	1	118.0680	0.000	1	118.0680	0.000	1	120.6054	6.079	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:2:1:	P-4:C-3:C-3:	P-4:C-3:C-3:	C-3:O-2:O-1:	C(PC[6]2Pt)(CCP)(COO)	C(PC[6]2Pt)(CCP)(COO)	C(CCP)(OC)(O)	C(PC[6]2Pt)(CCP)(COO)	C(PC[6]2Pt)(CCP)(COO)	C(CCP)(OC)(O)	121.4100	0.785	2	121.4100	0.616	2	122.1169	7.052	8	120.6054	6.079	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:2:1:	P-4:C-3:C-3:	P-4:C-3:C-3:	C-3:O-2:O-1:	C(PC[6]2Pt)(CCP)(COO)	C(PC[6a]2Pt)(CCP)(COO)	C(CCP)(OC)(O)	C(PC[6]2Pt)(CCP)(COO)	C(PC[6a]2Pt)(CCP)(COO)	C(CCP)(OC)(O)	124.5140	0.000	1	124.5140	0.000	1	122.1169	7.052	8	120.6054	6.079	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:2:1:	P-4:C-3:C-3:	P-4:C-3:C-3:	C-3:O-2:O-1:	C(PC[6a]2Pd)(CCP)(COO)	C(PPdCC)(CCP)(COO)	C(CCP)(OC)(O)	C(PC[6a]2Pd)(CCP)(COO)	C(PPdCC)(CCP)(COO)	C(CCP)(OC)(O)	123.9750	0.000	1	123.9750	0.000	1	122.1169	7.052	8	120.6054	6.079	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:2:1:	P-4:C-3:C-3:	P-4:C-3:C-3:	C-3:O-2:O-1:	C(PC[6a]2Pt)(CCP)(COO)	C(PC[6]2Pt)(CCP)(COO)	C(CCP)(OC)(O)	C(PC[6a]2Pt)(CCP)(COO)	C(PC[6]2Pt)(CCP)(COO)	C(CCP)(OC)(O)	124.4390	0.000	1	124.4390	0.000	1	122.1169	7.052	8	120.6054	6.079	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:2:1:	P-4:C-3:C-3:	P-4:C-3:C-3:	C-3:O-2:O-1:	C(PC[6a]2Pt)(CCP)(COO)	C(PPtCC)(CCP)(COO)	C(CCP)(OC)(O)	C(PC[6a]2Pt)(CCP)(COO)	C(PPtCC)(CCP)(COO)	C(CCP)(OC)(O)	124.4020	0.000	1	124.4020	0.000	1	122.1169	7.052	8	120.6054	6.079	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:2:1:	P-4:C-3:C-3:	P-4:C-3:C-3:	C-3:O-2:O-1:	C(PPdCC)(CCP)(COO)	C(PC[6a]2Pd)(CCP)(COO)	C(CCP)(OC)(O)	C(PPdCC)(CCP)(COO)	C(PC[6a]2Pd)(CCP)(COO)	C(CCP)(OC)(O)	118.7050	0.000	1	118.7050	0.000	1	122.1169	7.052	8	120.6054	6.079	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:2:1:	P-4:C-3:C-3:	P-4:C-3:C-3:	C-3:O-2:O-1:	C(PPtCC)(CCP)(COO)	C(PC[6a]2Pt)(CCP)(COO)	C(CCP)(OC)(O)	C(PPtCC)(CCP)(COO)	C(PC[6a]2Pt)(CCP)(COO)	C(CCP)(OC)(O)	118.0800	0.000	1	118.0800	0.000	1	122.1169	7.052	8	120.6054	6.079	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:2:1:	P-4:C-3:C-3:	P[6,6]-4:C-3:C-3:	C-3:O-2:O-1:	C(PC[6]2Pt)(CP[6,6]C)(COO)	C(P[6,6]C[3x6]2Pt)(CCP)(COO)	C(CCP)(OC)(O)	C(PC[6]2Pt)(CP[6,6]C)(COO)	C(P[6,6]C[3x6]2Pt)(CCP)(COO)	C(CCP)(OC)(O)	118.8630	0.000	1	118.8630	0.000	1	118.8630	0.000	1	120.6054	6.079	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:2:1:	P-4:C-3:C-3:	Si-4:C-3:C-3:	C-3:O-2:O-1:	C(PC[6a]2N)(CSiC)(COO)	C(SiC3)(CCP)(COO)	C(CCP)(OC)(O)	C(PC[6a]2N)(CSiC)(COO)	C(SiC3)(CCP)(COO)	C(CCP)(OC)(O)	118.5305	0.279	2	118.5305	0.078	2	118.5305	0.078	2	120.6054	6.079	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:2:1:	P[6,6]-4:C-3:C-3:	P-4:C-3:C-3:	C-3:O-2:O-1:	C(P[6,6]C[3x6]2Pt)(CCP)(COO)	C(PC[6]2Pt)(CP[6,6]C)(COO)	C(CP[6,6]C)(OC)(O)	C(P[6,6]C[3x6]2Pt)(CCP)(COO)	C(PC[6]2Pt)(CP[6,6]C)(COO)	C(CP[6,6]C)(OC)(O)	118.1750	0.000	1	118.1750	0.000	1	118.1750	0.000	1	120.6054	6.079	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:2:1:	Si-4:C-3:C-3:	P-4:C-3:C-3:	C-3:O-2:O-1:	C(SiC3)(CCP)(COO)	C(PC[6a]2N)(CSiC)(COO)	C(CSiC)(OC)(O)	C(SiC3)(CCP)(COO)	C(PC[6a]2N)(CSiC)(COO)	C(CSiC)(OC)(O)	116.7360	0.129	2	116.7360	0.017	2	116.7360	0.017	2	120.6054	6.079	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:2:1:	Si-4:C-3:C-3:	Si-4:C-3:C-3:	C-3:C-2:H-1:	C(SiC3)(CSiC)(CCH)	C(SiC3)(CSiC)(CCH)	C(CSiC)(CC)(H)	C(SiC3)(CSiC)(CCH)	C(SiC3)(CSiC)(CCH)	C(CSiC)(CC)(H)	118.4600	0.805	2	118.4600	0.648	2	118.4600	0.648	2	120.6054	6.079	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:2:1:	Si-4:C-3:C-3:	Si-4:C-3:C-3:	C-3:O-2:O-1:	C(SiC[6a]2Pt)(CSiC)(COO)	C(SiC[6a]2Pt)(CSiC)(COO)	C(CSiC)(OC)(O)	C(SiC[6a]2Pt)(CSiC)(COO)	C(SiC[6a]2Pt)(CSiC)(COO)	C(CSiC)(OC)(O)	119.0595	2.149	2	119.0595	4.618	2	119.0595	4.618	2	120.6054	6.079	32	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:2:2:	C[5]-4:C-3:C-3:	C[5]-4:C-3:C-3:	C-3:C-2:C-2:	C(C[5]C[5]2Fe)(CC[5]C)(CCC)	C(C[5]C[5]2Fe)(CC[5]C)(CCC)	C(CC[5]C)(CN)2	C(C[5]C[5]2Fe)(CC[5]C)(CCC)	C(C[5]C[5]2Fe)(CC[5]C)(CCC)	C(CC[5]C)(CN)2	118.2760	0.486	2	118.2760	0.237	2	118.2760	0.237	2	118.2760	0.237	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:3:1:	C-4:C-3:C-3:	C-4:C-3:C-3:	B[5]-3:C-3:H-1:	C(CC[6a]HH)(CB[5]H)(CCC)	C(CC[6a]HO)(CCC)(CHH)	C(B[5]O[5]2)(CCC)(H)	C(CC[6a]HH)(CB[5]H)(CCC)	C(CC[6a]HO)(CCC)(CHH)	C(B[5]O[5]2)(CCC)(H)	120.7640	0.000	2	120.7640	0.000	2	120.8103	0.006	3	122.5822	3.316	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:3:1:	C-4:C-3:C-3:	C-4:C-3:C-3:	B[5]-3:C-3:H-1:	C(CC[6a]HO)(CB[5]H)(CCC)	C(CC[6a]HO)(CSnH)(CCC)	C(B[5]O[5]2)(CCC)(H)	C(CC[6a]HO)(CB[5]H)(CCC)	C(CC[6a]HO)(CSnH)(CCC)	C(B[5]O[5]2)(CCC)(H)	120.9030	0.000	1	120.9030	0.000	1	120.8103	0.006	3	122.5822	3.316	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:3:1:	C-4:C-3:C-3:	C-4:C-3:C-3:	C-3:C-3:H-1:	C(CHHO)(CCC)(CCH)	C(CHHO)(CCC)(CCH)	C(CCC)(CCH)(H)	C(CHHO)(CCC)(CCH)	C(CHHO)(CCC)(CCH)	C(CCC)(CCH)(H)	124.2133	0.425	6	124.2133	0.180	6	124.0422	0.234	8	122.5822	3.316	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:3:1:	C-4:C-3:C-3:	C-4:C-3:C-3:	C-3:C-3:H-1:	C(CN[5a]HH)(CCC)(CCH)	C(CN[5a]HH)(CCC)(CCH)	C(CCC)(CCH)(H)	C(CN[5a]HH)(CCC)(CCH)	C(CN[5a]HH)(CCC)(CCH)	C(CCC)(CCH)(H)	123.5290	0.190	2	123.5290	0.036	2	124.0422	0.234	8	122.5822	3.316	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:3:1:	C-4:C-3:C-3:	C-4:C-3:C-3:	C-3:N-3:H-1:	C(CF3)(CCC)(CHN)	C(CF3)(CCC)(CHN)	C(CCC)(NCH)(H)	C(CF3)(CCC)(CHN)	C(CF3)(CCC)(CHN)	C(CCC)(NCH)(H)	121.3450	0.000	1	121.3450	0.000	1	121.3450	0.000	1	122.5822	3.316	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:3:1:	C-4:C-3:C-3:	C-4:C-3:C-3:	C[6a]-3:C-3:H-1:	C(CC[6a]CH)(CC[6a]H)(CCC)	C(CC[6a]CH)(CC[6a]H)(CCC)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a]CH)(CC[6a]H)(CCC)	C(CC[6a]CH)(CC[6a]H)(CCC)	C(C[6a]C[6a]2)(CCC)(H)	120.0185	0.551	2	120.0185	0.303	2	120.0185	0.303	2	122.5822	3.316	14	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	3:3:3:	C-4:C-3:C-3:	C-4:C-3:C-3:	C-3:C-3:C-3:	C(CH3)(CCC)2	C(CC[6a]N[5]H)(CCC)(COO)	C(CCC)(CCH)(COO)	C(CH3)(CCC)2	C(CC[6a]N[5]H)(CCC)(COO)	C(CCC)(CCH)(COO)	120.9440	0.000	1	120.9440	0.000	1	120.9440	0.000	1	120.9440	0.000	1	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	4:3:1:	C-4:C-3:C-3:	C-4:C-3:C-3:	C-4:C-3:O-1:	C(CC3)(CCC)(CCO)	C(CC3)(CCC)(CCO)	C(CH3)(CCC)(O)	C(CC3)(CCC)(CCO)	C(CC3)(CCC)(CCO)	C(CH3)(CCC)(O)	120.8200	0.000	1	120.8200	0.000	1	120.8200	0.000	1	119.4452	0.834	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	4:3:1:	P-4:C-3:C-3:	P-4:C-3:C-3:	C-4:C-3:H-1:	C(PC[6a]2O)(CCH)(CCP)	C(PC[6a]2O)(CCH)(CCP)	C(CCCO)(CCP)(H)	C(PC[6a]2O)(CCH)(CCP)	C(PC[6a]2O)(CCH)(CCP)	C(CCCO)(CCP)(H)	119.1015	0.569	4	119.1015	0.324	4	119.1015	0.324	4	119.4452	0.834	5	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	4:3:2:	C-4:C-3:C-3:	C-4:C-3:N-3:	C-4:C-3:N-2:	C(CH3)(CCN)2	C(CH3)(CCC)(NCH)	C(CH3)(CCC)(NC)	C(CH3)(CCN)2	C(CH3)(CCC)(NCH)	C(CH3)(CCC)(NC)	122.2215	0.323	6	122.2215	0.104	6	122.2215	0.104	6	122.2215	0.104	6	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	4:3:3:	C-4:C-3:C-3:	C-4:C-3:C-3:	C-4:C-3:C-3:	C(CCHH)(CCC)2	C(CCHH)(CBC)(CCC)	C(CCHH)(CCC)(CCO)	C(CCHH)(CCC)2	C(CCHH)(CBC)(CCC)	C(CCHH)(CCC)(CCO)	122.4240	0.000	1	122.4240	0.000	1	122.5873	0.306	3	122.5873	0.306	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	4:3:3:	C-4:C-3:C-3:	C-4:C-3:C-3:	C-4:C-3:C-3:	C(CH3)(CCC)2	C(CH3)(CBC)(CCC)	C(CH3)(CCC)(CCO)	C(CH3)(CCC)2	C(CH3)(CBC)(CCC)	C(CH3)(CCC)(CCO)	122.6690	0.757	2	122.6690	0.572	2	122.5873	0.306	3	122.5873	0.306	3	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:3:3:	4:4:3:	C-4:C-3:C-3:	C-4:C-3:C-3:	C-4:C-4:C-3:	C(CCHH)(CCC)2	C(CCHH)(CCC)2	C(CH3)2(CCC)	C(CCHH)(CCC)2	C(CCHH)(CCC)2	C(CH3)2(CCC)	122.9410	1.496	2	122.9410	2.239	2	122.9410	2.239	2	122.9410	2.239	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	4:3:3:	4:4:3:	4:3:3:	C-4:C-3:C-3:	C-4:C-4:C-3:	C-4:C-3:C-3:	C(CH3)(CCC)2	C(CC[6a]2O)(CH3)(CCC)	C(CH3)(CBC)(CCC)	C(CH3)(CCC)2	C(CC[6a]2O)(CH3)(CCC)	C(CH3)(CBC)(CCC)	124.6165	0.230	2	124.6165	0.053	2	124.6165	0.053	2	124.6165	0.053	2	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	6:3:3:	3:3:1:	3:2:1:	B[5x3,5x5,20x6]-6:C-3:C-3:	C-3:C-3:H-1:	C-3:O-2:O-1:	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(COO)	C(CB[5x3,5x5,20x6]C)(COO)(H)	C(CB[5x3,5x5,20x6]C)(OC)(O)	C(B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]2)(CCH)(COO)	C(CB[5x3,5x5,20x6]C)(COO)(H)	C(CB[5x3,5x5,20x6]C)(OC)(O)	113.5000	0.000	1	113.5000	0.000	1	113.5000	0.000	1	120.9838	11.831	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	6:3:3:	3:3:1:	3:2:1:	C[5x3,5x5,20x6]-6:C-3:C-3:	C-3:C[5a]-3:H-1:	C-3:O-2:O-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[5a]H)(COO)	C(CC[5x3,5x5,20x6]C)(C[5a]C[5a]2)(H)	C(CC[5x3,5x5,20x6]C)(OC)(O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[5a]H)(COO)	C(CC[5x3,5x5,20x6]C)(C[5a]C[5a]2)(H)	C(CC[5x3,5x5,20x6]C)(OC)(O)	122.4910	0.000	1	122.4910	0.000	1	122.3960	0.018	2	120.9838	11.831	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	6:3:3:	3:3:1:	3:2:1:	C[5x3,5x5,20x6]-6:C-3:C-3:	C-3:C[5a]-3:H-1:	C-3:O-2:O-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[5a]H)(COO)	C(CC[5x3,5x5,20x6]C)(C[5a]C[5a]S[5a])(H)	C(CC[5x3,5x5,20x6]C)(OC)(O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[5a]H)(COO)	C(CC[5x3,5x5,20x6]C)(C[5a]C[5a]S[5a])(H)	C(CC[5x3,5x5,20x6]C)(OC)(O)	122.3010	0.000	1	122.3010	0.000	1	122.3960	0.018	2	120.9838	11.831	9	124.1934	19.641	14342	124.1934	19.641	14342
930	930	930	0:SP2_SP2_SP2	C	C	C	6:3:3:	3:3:1:	3:2:1:	C[5x3,5x5,20x6]-6:C-3:C-3:	C-3:C[6a]-3:H-1:	C-3:O-2:O-1:	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]H)(COO)	C(CC[5x3,5x5,20x6]C)(C[6a]C[6a]2)(H)	C(CC[5x3,5x5,20x6]C)(OC)(O)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(CC[6a]H)(COO)	C(CC[5x3,5x5,20x6]C)(C[6a]C[6a]2)(H)	C(CC[5x3,5x5,20x6]C)(OC)(O)	121.7603	2.491	6	121.7603	6.203	6	121.7603	6.203	6	120.9838	11.831	9	124.1934	19.641	14342	124.1934	19.641	14342