930	930	957	0:SP2_SP1_SP2	C	C	Si	3:2:1:	4:3:3:	4:3:	C-3:Si-2:H-1:	Si[4]-4:C[6a]-3:C-3:	Si-4:C-3:	C(CC[6a]Si[4])(SiSi)(H)	C(Si[4]Si[4]C[4]Si)(C[6a]C[6a]2)(CSiH)	Si(SiC3)(CCH)	C(CC[6a]Si[4])(SiSi)(H)	C(Si[4]Si[4]C[4]Si)(C[6a]C[6a]2)(CSiH)	Si(SiC3)(CCH)	130.4620	0.000	1	130.4620	0.000	1	130.4620	0.000	1	130.4620	0.000	1	130.4620	0.000	1	130.4620	0.000	1
930	930	969	0:SP2_SP-NON_SP2	C	C	Ga	3:3:3:	3:4:1:	3:3:4:	C[6a]-3:Ga-3:C-3:	C-3:C-4:H-1:	C-3:C-3:C-4:	C(C[6a]C[6a]2)(GaCC)(CCH)	C(CC[6a]Ga)(CC3)(H)	Ga(CC[6a]C)2(CCHH)	C(C[6a]C[6a]2)(GaCC)(CCH)	C(CC[6a]Ga)(CC3)(H)	Ga(CC[6a]C)2(CCHH)	115.2156	0.644	8	115.2156	0.415	8	115.2156	0.415	8	115.2156	0.415	8	117.1572	21.119	17	117.1572	21.119	17
930	930	969	0:SP2_SP-NON_SP2	C	C	Ga	3:4:3:	3:3:1:	3:4:4:	C-3:Si-4:Ga-3:	C[6a]-3:C-3:H-1:	C-3:C-4:C-4:	C(CC[6a]H)(SiC3)(GaCC)	C(C[6a]C[6a]2)(CGaSi)(H)	Ga(CSiC)(CC3)2	C(CC[6a]H)(SiC3)(GaCC)	C(C[6a]C[6a]2)(CGaSi)(H)	Ga(CSiC)(CC3)2	112.9770	0.000	1	112.9770	0.000	1	112.9770	0.000	1	112.9770	0.000	1	117.1572	21.119	17	117.1572	21.119	17
930	930	969	0:SP2_SP-NON_SP2	C	C	Ga	3:4:3:	3:3:1:	4:3:4:	C-3:Si-4:Ga-3:	C[6a]-3:C-3:H-1:	C-4:C-3:C-4:	C(CC[6a]H)(SiC3)(GaCC)	C(C[6a]C[6a]2)(CGaSi)(H)	Ga(CSi3)(CSiC)(CH3)	C(CC[6a]H)(SiC3)(GaCC)	C(C[6a]C[6a]2)(CGaSi)(H)	Ga(CSi3)(CSiC)(CH3)	119.3805	0.812	2	119.3805	0.660	2	119.3805	0.660	2	119.3805	0.660	2	117.1572	21.119	17	117.1572	21.119	17
930	930	969	0:SP2_SP-NON_SP2	C	C	Ga	3:4:3:	3:3:1:	4:4:3:	C-3:Si-4:Ga-3:	C[6a]-3:C-3:H-1:	C-4:C-4:C-3:	C(CC[6a]H)(SiC3)(GaCC)	C(C[6a]C[6a]2)(CGaSi)(H)	Ga(CCCH)2(CSiC)	C(CC[6a]H)(SiC3)(GaCC)	C(C[6a]C[6a]2)(CGaSi)(H)	Ga(CCCH)2(CSiC)	117.2610	0.000	1	117.2610	0.000	1	117.2610	0.000	1	117.2610	0.000	1	117.1572	21.119	17	117.1572	21.119	17
930	930	969	0:SP2_SP-NON_SP2	C	C	Ga	3:4:3:	4:3:2:	3:1:1:	C-3:Si-4:Ga-3:	C[5,5]-4:C-3:C-2:	C-3:I-1:I-1:	C(CC[5,5]C)(SiC3)(GaII)	C(C[5,5]Ga[5,5,6]C[5,5,6]C)(CGaSi)(CC)	Ga(CSiC)(I)2	C(CC[5,5]C)(SiC3)(GaII)	C(C[5,5]Ga[5,5,6]C[5,5,6]C)(CGaSi)(CC)	Ga(CSiC)(I)2	117.5470	0.000	2	117.5470	0.000	2	117.5470	0.000	2	117.5470	0.000	2	117.1572	21.119	17	117.1572	21.119	17
930	930	969	0:SP2_SP-NON_SP2	C	C	Ga	4:3:3:	3:4:1:	3:4:4:	Ge-4:Ga-3:C-3:	C-3:C-4:H-1:	C-3:C-4:C-4:	C(GeCNN)(GaCC)(CCH)	C(CGaGe)(CC3)(H)	Ga(CGeC)(CC3)2	C(GeCNN)(GaCC)(CCH)	C(CGaGe)(CC3)(H)	Ga(CGeC)(CC3)2	130.2330	0.000	1	130.2330	0.000	1	127.6390	13.458	2	121.9513	103.777	3	117.1572	21.119	17	117.1572	21.119	17
930	930	969	0:SP2_SP-NON_SP2	C	C	Ga	4:3:3:	3:4:1:	3:4:4:	Ge-4:Ga-3:C-3:	C-3:C-4:H-1:	C-3:C-4:C-4:	C(GeC[6a]ClC)(GaCC)(CCH)	C(CGaGe)(CC3)(H)	Ga(CGeC)(CC3)2	C(GeC[6a]ClC)(GaCC)(CCH)	C(CGaGe)(CC3)(H)	Ga(CGeC)(CC3)2	125.0450	0.000	1	125.0450	0.000	1	127.6390	13.458	2	121.9513	103.777	3	117.1572	21.119	17	117.1572	21.119	17
930	930	969	0:SP2_SP-NON_SP2	C	C	Ga	4:3:3:	3:4:1:	3:4:4:	Si[4]-4:Ga-3:C-3:	C-3:C-4:H-1:	C-3:C-4:C-4:	C(Si[4]N[4,5]C[4]C)(GaCC)(CCH)	C(CSi[4]Ga)(CC3)(H)	Ga(CSi[4]C)(CC3)2	C(Si[4]N[4,5]C[4]C)(GaCC)(CCH)	C(CSi[4]Ga)(CC3)(H)	Ga(CSi[4]C)(CC3)2	110.5760	0.000	1	110.5760	0.000	1	110.5760	0.000	1	121.9513	103.777	3	117.1572	21.119	17	117.1572	21.119	17
930	930	977	0:SP2_SP-NON_SP2	C	C	S	2:3:1:	3:3:2:	3:	N-2:C-3:S-1:	C-3:C-3:C-2:	C-3:	C(NC[6a])(CCC)(S)	C(CNO)(CNS)(CN)	S(CCN)	C(NC[6a])(CCC)(S)	C(CNO)(CNS)(CN)	S(CCN)	123.3275	0.562	2	123.3275	0.316	2	123.3275	0.316	2	123.3275	0.316	2	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:1:1:	3:3:3:	3:	C-3:S-1:S-1:	C-3:N-3:N-3:	C-3:	C(CNN)(S)2	C(CSS)(NCC)2	S(CCS)	C(CNN)(S)2	C(CSS)(NCC)2	S(CCS)	114.6582	2.423	4	114.6582	5.870	4	114.6582	5.870	4	114.5348	3.627	6	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:1:1:	3:3:3:	3:	C-3:S-1:S-1:	N[6]-3:N[6]-3:C-3:	C-3:	C(CN[6]2)(S)2	C(N[6]C[6]2)2(CSS)	S(CCS)	C(CN[6]2)(S)2	C(N[6]C[6]2)2(CSS)	S(CCS)	114.2880	0.585	2	114.2880	0.343	2	114.2880	0.343	2	114.5348	3.627	6	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:1:1:	4:4:3:	3:	C-3:S-1:S-1:	P-4:P-4:C-3:	C-3:	C(CPP)(S)2	C(PC[6a]3)2(CSS)	S(CCS)	C(CPP)(S)2	C(PC[6a]3)2(CSS)	S(CCS)	117.5930	0.000	1	117.5930	0.000	1	117.5930	0.000	1	117.5930	0.000	1	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:2:1:	3:2:1:	3:	C-3:S-2:S-1:	C-3:S-2:S-1:	C-3:	C(CSS)(SC)(S)	C(CSS)(SC)(S)	S(CCS)	C(CSS)(SC)(S)	C(CSS)(SC)(S)	S(CCS)	121.8420	0.000	1	121.8420	0.000	1	121.8420	0.000	1	121.8420	0.000	1	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:2:1:	3:2:2:	3:	C-3:C-2:S-1:	C-3:S-2:C-2:	C-3:	C(CCS)(CN)(S)	C(CCS)(SAs)(CN)	S(CCC)	C(CCS)(CN)(S)	C(CCS)(SAs)(CN)	S(CCC)	125.4355	0.507	2	125.4355	0.257	2	125.4355	0.257	2	125.4355	0.257	2	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:2:1:	3:3:1:	3:	C-3:N-2:S-1:	C-3:C-3:H-1:	C-3:	C(CCH)(NC)(S)	C(CC[6a]S)(CNS)(H)	S(CCN)	C(CCH)(NC)(S)	C(CC[6a]S)(CNS)(H)	S(CCN)	118.3770	0.000	1	118.3770	0.000	1	118.3770	0.000	1	127.4059	8.584	18	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:2:1:	3:3:1:	3:	C-3:S-2:S-1:	C-3:C-3:H-1:	C-3:	C(CCH)(SC)(S)	C(CC[5a]O)(CSS)(H)	S(CCS)	C(CCH)(SC)(S)	C(CC[5a]O)(CSS)(H)	S(CCS)	129.5795	1.159	2	129.5795	1.343	2	128.1490	3.159	16	127.4059	8.584	18	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:2:1:	3:3:1:	3:	C-3:S-2:S-1:	C-3:C-3:H-1:	C-3:	C(CCH)(SC)(S)	C(CC[6a]O)(CSS)(H)	S(CCS)	C(CCH)(SC)(S)	C(CC[6a]O)(CSS)(H)	S(CCS)	127.9446	1.784	14	127.9446	3.182	14	128.1490	3.159	16	127.4059	8.584	18	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:2:1:	3:3:1:	3:	C-3:S-2:S-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(SC[5])(S)	C(C[5]S[5]2)(CSS)(H)	S(CCS)	C(CC[5]H)(SC[5])(S)	C(C[5]S[5]2)(CSS)(H)	S(CCS)	124.5460	0.000	1	124.5460	0.000	1	124.5460	0.000	1	127.4059	8.584	18	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:2:1:	3:3:2:	3:	C-3:N-2:S-1:	C-3:N-3:N-2:	C-3:	C(CNN)(NN)(S)	C(CNS)(NHH)(NN)	S(CCN)	C(CNN)(NN)(S)	C(CNS)(NHH)(NN)	S(CCN)	120.0210	0.000	1	120.0210	0.000	1	120.0210	0.000	1	123.2050	20.276	2	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:2:1:	3:3:2:	3:	C-3:S-2:S-1:	C-3:C-3:C-2:	C-3:	C(CCC)(SC)(S)	C(CCN)(CSS)(CN)	S(CCS)	C(CCC)(SC)(S)	C(CCN)(CSS)(CN)	S(CCS)	126.3890	0.000	1	126.3890	0.000	1	126.3890	0.000	1	123.2050	20.276	2	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:2:1:	3:3:3:	3:	C-3:S-2:S-1:	C-3:N-3:N-3:	C-3:	C(CNN)(SC)(S)	C(CSS)(NCC)2	S(CCS)	C(CNN)(SC)(S)	C(CSS)(NCC)2	S(CCS)	120.3743	1.325	3	120.3743	1.756	3	120.3743	1.756	3	120.3743	1.756	3	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:3:1:	3:2:1:	3:	C-3:C-3:S-1:	C-3:O-2:O-1:	C-3:	C(CC[5]C)(COO)(S)	C(CCS)(OC)(O)	S(CCC)	C(CC[5]C)(COO)(S)	C(CCS)(OC)(O)	S(CCC)	115.1590	0.000	1	115.1590	0.000	1	115.1590	0.000	1	117.7390	2.131	5	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:3:1:	3:2:1:	3:	C-3:N-3:S-1:	C-3:O-2:O-1:	C-3:	C(COO)(NCH)(S)	C(CNS)(OC)(O)	S(CCN)	C(COO)(NCH)(S)	C(CNS)(OC)(O)	S(CCN)	118.2305	0.078	2	118.2305	0.006	2	118.2305	0.006	2	117.7390	2.131	5	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:3:1:	3:2:1:	3:	N-3:C-3:S-1:	C-3:O-2:O-1:	C-3:	C(NC[6]H)(COO)(S)	C(CNS)(OC)(O)	S(CCN)	C(NC[6]H)(COO)(S)	C(CNS)(OC)(O)	S(CCN)	118.5375	0.320	2	118.5375	0.103	2	118.5375	0.103	2	117.7390	2.131	5	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:3:1:	3:3:1:	3:	C-3:N-3:S-1:	C-3:C-3:H-1:	C-3:	C(CCH)(NCC)(S)	C(CSiH)(CNS)(H)	S(CCN)	C(CCH)(NCC)(S)	C(CSiH)(CNS)(H)	S(CCN)	118.8690	0.000	1	118.8690	0.000	1	118.8690	0.000	1	120.3874	7.111	38	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:3:1:	3:3:1:	3:	C-3:N-3:S-1:	C-3:N-3:O-1:	C-3:	C(CNO)(NCH)(S)	C(CNS)(NCH)(O)	S(CCN)	C(CNO)(NCH)(S)	C(CNS)(NCH)(O)	S(CCN)	123.3465	0.148	2	123.3465	0.022	2	123.3465	0.022	2	120.3874	7.111	38	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:3:1:	3:3:1:	3:	C-3:N-3:S-1:	C-3:N-3:S-1:	C-3:	C(CNS)(NCH)(S)	C(CNS)(NCH)(S)	S(CCN)	C(CNS)(NCH)(S)	C(CNS)(NCH)(S)	S(CCN)	121.4147	0.756	9	121.4147	0.572	9	121.2589	0.279	24	120.3874	7.111	38	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:3:1:	3:3:1:	3:	C-3:N-3:S-1:	C-3:N-3:S-1:	C-3:	C(CNS)(NHH)(S)	C(CNS)(NHH)(S)	S(CCN)	C(CNS)(NHH)(S)	C(CNS)(NHH)(S)	S(CCN)	121.1655	0.325	15	121.1655	0.106	15	121.2589	0.279	24	120.3874	7.111	38	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:3:1:	3:3:1:	3:	C-3:N-3:S-1:	C[5a]-3:C-3:H-1:	C-3:	C(CC[5a]H)(NC[6a]H)(S)	C(C[5a]N[5a]S[5a])(CNS)(H)	S(CCN)	C(CC[5a]H)(NC[6a]H)(S)	C(C[5a]N[5a]S[5a])(CNS)(H)	S(CCN)	121.8830	0.000	1	121.8830	0.000	1	121.8830	0.000	1	120.3874	7.111	38	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:S-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(S)	C(CC[6a]O)(CC[6a]S)(H)	S(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(S)	C(CC[6a]O)(CC[6a]S)(H)	S(CC[6a]C)	124.4000	0.000	1	124.4000	0.000	1	120.1290	36.483	2	120.3874	7.111	38	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:3:1:	3:3:1:	3:	C[6a]-3:C-3:S-1:	C-3:C-3:H-1:	C-3:	C(C[6a]C[6a]2)(CCH)(S)	C(CC[6a]S)(CNS)(H)	S(CC[6a]C)	C(C[6a]C[6a]2)(CCH)(S)	C(CC[6a]S)(CNS)(H)	S(CC[6a]C)	115.8580	0.000	1	115.8580	0.000	1	120.1290	36.483	2	120.3874	7.111	38	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:3:1:	3:3:1:	3:	N-3:C-3:S-1:	C-3:C-3:H-1:	C-3:	C(NC[6a]H)(CCH)(S)	C(CC[6a]O)(CNS)(H)	S(CCN)	C(NC[6a]H)(CCH)(S)	C(CC[6a]O)(CNS)(H)	S(CCN)	123.9330	0.000	1	123.9330	0.000	1	123.9330	0.000	1	120.3874	7.111	38	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:3:1:	3:3:1:	3:	N-3:C-3:S-1:	N-3:C-3:O-1:	C-3:	C(NC[6a]H)(CNO)(S)	C(NC[6a]H)(CNS)(O)	S(CCN)	C(NC[6a]H)(CNO)(S)	C(NC[6a]H)(CNS)(O)	S(CCN)	121.5420	0.000	1	121.5420	0.000	1	121.5420	0.000	1	120.3874	7.111	38	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:3:1:	3:3:1:	3:	N[6]-3:C-3:S-1:	C-3:N-3:O-1:	C-3:	C(N[6]C[6]2)(CNO)(S)	C(CN[6]S)(NCH)(O)	S(CN[6]C)	C(N[6]C[6]2)(CNO)(S)	C(CN[6]S)(NCH)(O)	S(CN[6]C)	114.8020	0.000	1	114.8020	0.000	1	114.8020	0.000	1	120.3874	7.111	38	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:3:1:	3:3:1:	3:	N[6]-3:C-3:S-1:	C[6a]-3:C-3:O-1:	C-3:	C(N[6]C[6]2)(CC[6a]O)(S)	C(C[6a]C[6a]2)(CN[6]S)(O)	S(CN[6]C)	C(N[6]C[6]2)(CC[6a]O)(S)	C(C[6a]C[6a]2)(CN[6]S)(O)	S(CN[6]C)	114.4613	0.172	3	114.4613	0.029	3	114.4613	0.029	3	120.3874	7.111	38	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:3:1:	3:3:1:	3:	N[6]-3:C-3:S-1:	N[6]-3:C-3:S-1:	C-3:	C(N[6]C[6]2)(CN[6]S)(S)	C(N[6]C[6]2)(CN[6]S)(S)	S(CN[6]C)	C(N[6]C[6]2)(CN[6]S)(S)	C(N[6]C[6]2)(CN[6]S)(S)	S(CN[6]C)	116.5725	0.407	2	116.5725	0.165	2	116.5725	0.165	2	120.3874	7.111	38	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:3:1:	3:3:2:	3:	C-3:N-3:S-1:	C-3:C-3:C-2:	C-3:	C(CCC)(NCH)(S)	C(CNO)(CNS)(CN)	S(CCN)	C(CCC)(NCH)(S)	C(CNO)(CNS)(CN)	S(CCN)	121.3480	1.158	2	121.3480	1.342	2	121.6956	1.146	7	121.6576	5.337	11	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:3:1:	3:3:2:	3:	C-3:N-3:S-1:	C-3:C-3:C-2:	C-3:	C(CCC)(NHH)(S)	C(CC[6a]H)(CNS)(CN)	S(CCN)	C(CCC)(NHH)(S)	C(CC[6a]H)(CNS)(CN)	S(CCN)	121.8346	1.140	5	121.8346	1.300	5	121.6956	1.146	7	121.6576	5.337	11	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:3:1:	3:3:2:	3:	C-3:N-3:S-1:	C-3:N-3:S-2:	C-3:	C(CNS)(NCC)(S)	C(CNS)(NCC)(SI)	S(CCN)	C(CNS)(NCC)(S)	C(CNS)(NCC)(SI)	S(CCN)	116.0730	0.000	1	116.0730	0.000	1	118.7750	14.602	2	121.6576	5.337	11	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:3:1:	3:3:2:	3:	C-3:N-3:S-1:	C-3:N-3:S-2:	C-3:	C(CNS)(NHH)(S)	C(CNS)(NHH)(SAg)	S(CCN)	C(CNS)(NHH)(S)	C(CNS)(NHH)(SAg)	S(CCN)	121.4770	0.000	1	121.4770	0.000	1	118.7750	14.602	2	121.6576	5.337	11	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:3:1:	3:3:2:	3:	C-3:N-3:S-1:	C[5]-3:C-3:C-2:	C-3:	C(CC[5]C)(NHH)(S)	C(C[5]N[5]S[5])(CNS)(CN)	S(CCN)	C(CC[5]C)(NHH)(S)	C(C[5]N[5]S[5])(CNS)(CN)	S(CCN)	124.6670	0.000	1	124.6670	0.000	1	124.6670	0.000	1	121.6576	5.337	11	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:3:1:	3:3:2:	3:	N-3:C-3:S-1:	C-3:C-3:C-2:	C-3:	C(NC[6a]H)(CCC)(S)	C(CNO)(CNS)(CN)	S(CCN)	C(NC[6a]H)(CCC)(S)	C(CNO)(CNS)(CN)	S(CCN)	124.1480	0.000	1	124.1480	0.000	1	124.1480	0.000	1	121.6576	5.337	11	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:3:1:	3:3:3:	3:	C-3:C-3:S-1:	C[5]-3:C-3:C-3:	C-3:	C(CC[5]C)(COO)(S)	C(C[5]N[5]2)(CCS)(COO)	S(CCC)	C(CC[5]C)(COO)(S)	C(C[5]N[5]2)(CCS)(COO)	S(CCC)	126.5580	0.000	1	126.5580	0.000	1	126.5580	0.000	1	120.4243	7.235	14	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:3:1:	3:3:3:	3:	C-3:N-3:S-1:	C-3:C-3:C-3:	C-3:	C(CCC)(NHH)(S)	C(CCP)(CNS)(COO)	S(CCN)	C(CCC)(NHH)(S)	C(CCP)(CNS)(COO)	S(CCN)	116.9440	0.000	1	116.9440	0.000	1	116.9440	0.000	1	120.4243	7.235	14	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:3:1:	3:3:3:	3:	C-3:N-3:S-1:	C-3:C-3:N-3:	C-3:	C(CCN)(NCH)(S)	C(CNN)(CNS)(NOO)	S(CCN)	C(CCN)(NCH)(S)	C(CNN)(CNS)(NOO)	S(CCN)	118.2975	0.298	2	118.2975	0.089	2	118.2975	0.089	2	120.4243	7.235	14	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:3:1:	3:3:3:	3:	C-3:N-3:S-1:	C[5]-3:C[6a]-3:C-3:	C-3:	C(CC[6a]C[5])(NC[6a]H)(S)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CNS)	S(CCN)	C(CC[6a]C[5])(NC[6a]H)(S)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CNS)	S(CCN)	120.0970	0.595	2	120.0970	0.354	2	120.0970	0.354	2	120.4243	7.235	14	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:3:1:	3:3:3:	3:	C-3:N-3:S-1:	C[6a]-3:C-3:C-3:	C-3:	C(CC[6a]C)(NC[6a]B)(S)	C(C[6a]C[6a]2)(CC[6a]C)(CNS)	S(CCN)	C(CC[6a]C)(NC[6a]B)(S)	C(C[6a]C[6a]2)(CC[6a]C)(CNS)	S(CCN)	119.1110	2.553	2	119.1110	6.516	2	119.1110	6.516	2	120.4243	7.235	14	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:3:1:	3:3:3:	3:	C-3:N-3:S-1:	N[5a]-3:C-3:C-3:	C-3:	C(CN[5a]C)(NC[6a]H)(S)	C(N[5a]C[5a,6a]N[5a])(CC[6a]O)(CNS)	S(CCN)	C(CN[5a]C)(NC[6a]H)(S)	C(N[5a]C[5a,6a]N[5a])(CC[6a]O)(CNS)	S(CCN)	121.9745	0.967	2	121.9745	0.934	2	121.9745	0.934	2	120.4243	7.235	14	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:3:1:	3:3:3:	3:	N-3:C-3:S-1:	C-3:C-3:C-3:	C-3:	C(NC[6a]C)(CCC)(S)	C(CC[6a]N)(CHN)(CNS)	S(CCN)	C(NC[6a]C)(CCC)(S)	C(CC[6a]N)(CHN)(CNS)	S(CCN)	122.5265	1.071	2	122.5265	1.148	2	121.9987	1.410	3	120.4243	7.235	14	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:3:1:	3:3:3:	3:	N-3:C-3:S-1:	C-3:C-3:C-3:	C-3:	C(NC[6a]H)(CCC)(S)	C(CCO)2(CNS)	S(CCN)	C(NC[6a]H)(CCC)(S)	C(CCO)2(CNS)	S(CCN)	120.9430	0.000	1	120.9430	0.000	1	121.9987	1.410	3	120.4243	7.235	14	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:3:1:	3:3:3:	3:	N-3:C-3:S-1:	C[6a]-3:C-3:C-3:	C-3:	C(NC[3x6]B)(CC[6a]C)(S)	C(C[6a]C[6a]2)(CC[6a]C)(CNS)	S(CCN)	C(NC[3x6]B)(CC[6a]C)(S)	C(C[6a]C[6a]2)(CC[6a]C)(CNS)	S(CCN)	117.4820	0.000	1	117.4820	0.000	1	117.4820	0.000	1	120.4243	7.235	14	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:3:1:	4:3:2:	3:	N-3:C-3:S-1:	S-4:C-3:C-2:	C-3:	C(NC[6a]H)(CCS)(S)	C(SC[6a]OO)(CNS)(CN)	S(CCN)	C(NC[6a]H)(CCS)(S)	C(SC[6a]OO)(CNS)(CN)	S(CCN)	119.3720	0.000	1	119.3720	0.000	1	119.3720	0.000	1	119.3720	0.000	1	121.4748	16.631	105	121.4748	16.631	105
930	930	977	0:SP2_SP-NON_SP2	C	C	S	3:4:1:	3:3:1:	3:	C-3:C-4:S-1:	C[5]-3:C-3:H-1:	C-3:	C(CC[5]H)(CH3)(S)	C(C[5]S[5]2)(CCS)(H)	S(CCC)	C(CC[5]H)(CH3)(S)	C(C[5]S[5]2)(CCS)(H)	S(CCC)	122.8780	0.000	1	122.8780	0.000	1	122.8780	0.000	1	122.8780	0.000	1	121.4748	16.631	105	121.4748	16.631	105
930	930	982	0:SP2_SP2_SPD5	C	C	Ge[3,4,4,5,5,4x6]	5:3:1:	3:1:1:	4:4:2:2:3:	Ge[3,4,4,5,5,4x6]-5:C-3:H-1:	C-3:H-1:H-1:	Ge[3x3,4,5,5,6]-4:Ge[3x3,4,5,5,6]-4:Ge[4,5,3x6]-2:Ge[4,5,3x6]-2:C-3:	C(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2Ge[4,5,3x6]2)(CHH)(H)	C(CGe[3,4,4,5,5,4x6]H)(H)2	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2(CCH)	C(Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2Ge[4,5,3x6]2)(CHH)(H)	C(CGe[3,4,4,5,5,4x6]H)(H)2	Ge[3,4,4,5,5,4x6](Ge[3x3,4,5,5,6]Ge[3,4,4,5,5,4x6]Ge[3x3,4,5,5,6]2)2(Ge[4,5,3x6]Ge[3,4,4,5,5,4x6])2(CCH){1|Ge<2>,1|C<3>}	123.5595	0.941	2	123.5595	0.886	2	123.5595	0.886	2	123.5595	0.886	2	123.5595	0.886	2	123.5595	0.886	2
930	930	983	0:SP2_SP1_SP2	C	C	C	2:3:1:	3:2:1:	3:3:	C-2:C-3:H-1:	C-3:O-2:O-1:	C[6]-3:C-3:	C(CC[6])(COO)(H)	C(CCH)(OC)(O)	C(C[6]C[6,6]C[6])(CCH)	C(CC[6])(COO)(H)	C(CCH)(OC)(O)	C(C[6]C[6,6]C[6])(CCH)	122.9185	2.727	2	122.9185	7.438	2	122.9185	7.438	2	122.9185	7.438	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	2:3:1:	3:3:2:	3:3:	C-2:C-3:Br-1:	C-3:C-3:C-2:	N[6]-3:C-3:	C(CN[6])(CCC)(Br)	C(CBrC)(CNO)(CC)	C(N[6]C[6]2)(CBrC)	C(CN[6])(CCC)(Br)	C(CBrC)(CNO)(CC)	C(N[6]C[6]2)(CBrC)	116.3130	0.000	1	116.3130	0.000	1	116.3130	0.000	1	116.3130	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	2:3:1:	4:3:3:	3:3:	C-2:C-3:H-1:	C-4:C-3:C-3:	C[6]-3:C-3:	C(CC[6])(CCC)(H)	C(CH3)(CCH)2	C(C[6]C[6]2)(CCH)	C(CC[6])(CCC)(H)	C(CH3)(CCH)2	C(C[6]C[6]2)(CCH)	124.1820	0.008	4	124.1820	0.000	4	124.1820	0.000	4	124.1820	0.000	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	2:3:2:	2:3:2:	3:2:	Se-2:C-3:C-2:	Se-2:C-3:C-2:	C-3:C-2:	C(SeC[6a])(CSeC)(CC)	C(SeC[6a])(CSeC)(CW)	C(CSeC)(CC)	C(SeC[6a])(CSeC)(CC)	C(SeC[6a])(CSeC)(CW)	C(CSeC)(CC)	125.0820	0.000	1	125.0820	0.000	1	125.0820	0.000	1	125.0820	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	2:3:2:	2:3:3:	3:3:	C-2:C-3:N-2:	C-2:C-3:C-3:	N[6]-3:C-3:	C(CN[6])(CCC)(NN)	C(CC[6])(CCN)(CNO)	C(N[6]C[6]2)(CCN)	C(CN[6])(CCC)(NN)	C(CC[6])(CCN)(CNO)	C(N[6]C[6]2)(CCN)	112.5530	0.000	1	112.5530	0.000	1	112.5530	0.000	1	112.5530	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	2:3:2:	3:3:1:	3:1:	N-2:C-3:C-2:	C-3:C-3:O-1:	C-3:N-1:	C(NC[6a])(CCO)(CN)	C(CCH)(CCN)(O)	C(CCN)(N)	C(NC[6a])(CCO)(CN)	C(CCH)(CCN)(O)	C(CCN)(N)	112.5300	0.000	1	112.5300	0.000	1	112.5300	0.000	1	112.5300	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	2:3:2:	3:4:3:	2:3:	O-2:C-3:C-2:	In-3:C-4:C-3:	C-2:C-3:	C(OC[6a])(CInC)(CC)	C(InII)(CH3)(CCO)	C(CC[6a])(CCO)	C(OC[6a])(CInC)(CC)	C(InII)(CH3)(CCO)	C(CC[6a])(CCO)	127.3400	0.000	1	127.3400	0.000	1	127.3400	0.000	1	127.3400	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	2:3:2:	4:3:1:	2:3:	O-2:C-3:C-2:	C-4:C-3:I-1:	C-2:C-3:	C(OC[6a])(CCI)(CC)	C(CH3)(CCO)(I)	C(CC[6a])(CCO)	C(OC[6a])(CCI)(CC)	C(CH3)(CCO)(I)	C(CC[6a])(CCO)	122.8680	0.000	1	122.8680	0.000	1	122.8680	0.000	1	122.8680	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	2:3:2:	4:3:1:	3:1:	N-2:C-3:C-2:	C-4:C-3:O-1:	C-3:N-1:	C(NC[5,6])(CCO)(CN)	C(CC3)(CCN)(O)	C(CCN)(N)	C(NC[5,6])(CCO)(CN)	C(CC3)(CCN)(O)	C(CCN)(N)	112.5780	0.000	1	112.5780	0.000	1	112.5780	0.000	1	112.5780	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	2:3:3:	2:3:1:	3:3:	C-2:C-3:C-3:	N-2:C-3:O-1:	C[6]-3:C-3:	C(CC[6])(CCN)(CNO)	C(NC[6])(CCC)(O)	C(C[6]C[6]2)(CCC)	C(CC[6])(CCN)(CNO)	C(NC[6])(CCC)(O)	C(C[6]C[6]2)(CCC)	109.4890	0.000	1	109.4890	0.000	1	109.4890	0.000	1	109.4890	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	2:3:3:	2:3:2:	3:3:	C-2:C-3:C-3:	C-2:C-3:N-2:	C[6]-3:C-3:	C(CC[6])(CCN)(CNO)	C(CN[6])(CCC)(NN)	C(C[6]C[6]2)(CCC)	C(CC[6])(CCN)(CNO)	C(CN[6])(CCC)(NN)	C(C[6]C[6]2)(CCC)	111.0590	0.000	1	111.0590	0.000	1	111.0590	0.000	1	111.0590	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	2:3:3:	3:2:1:	3:3:	C-2:C-3:C-3:	C-3:O-2:O-1:	C[5]-3:C-3:	C(CC[5])(COO)2	C(CCC)(OC)(O)	C(C[5]C[5,6a]2)(CCC)	C(CC[5])(COO)2	C(CCC)(OC)(O)	C(C[5]C[5,6a]2)(CCC)	121.4375	1.054	2	121.4375	1.112	2	121.4375	1.112	2	122.0507	1.684	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	2:3:3:	3:2:1:	3:3:	C-2:C-3:N-3:	C-3:C-2:O-1:	C[6a]-3:C-3:	C(CC[6a])(CCO)(NSS)	C(CCN)(CC)(O)	C(C[6a]C[6a]2)(CCN)	C(CC[6a])(CCO)(NSS)	C(CCN)(CC)(O)	C(C[6a]C[6a]2)(CCN)	123.2770	0.000	1	123.2770	0.000	1	123.2770	0.000	1	122.0507	1.684	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	2:4:3:	2:4:3:	3:3:	C-2:Si-4:C-3:	C-2:Si-4:C-3:	C[5]-3:C-3:	C(CC[5])(SiC3)(CSiC)	C(CC[5])(SiC3)(CSiC)	C(C[5]C[5,6a]2)(CSiC)	C(CC[5])(SiC3)(CSiC)	C(CC[5])(SiC3)(CSiC)	C(C[5]C[5,6a]2)(CSiC)	115.3345	1.025	2	115.3345	1.050	2	115.2090	0.572	3	115.2053	0.381	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	2:4:3:	2:4:3:	3:3:	C-2:Si-4:C-3:	C-2:Si-4:C-3:	C[5]-3:C-3:	C(CC[5])(SiC3)(CSiC)	C(CC[5a])(SiC3)(CSiC)	C(C[5]C[5,6a]2)(CSiC)	C(CC[5])(SiC3)(CSiC)	C(CC[5a])(SiC3)(CSiC)	C(C[5]C[5,6a]2)(CSiC)	114.9580	0.000	1	114.9580	0.000	1	115.2090	0.572	3	115.2053	0.381	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	2:4:3:	2:4:3:	3:3:	C-2:Si-4:C-3:	C-2:Si-4:C-3:	C[5a]-3:C-3:	C(CC[5a])(SiC3)(CSiC)	C(CC[5])(SiC3)(CSiC)	C(C[5a]C[5a,6a]2)(CSiC)	C(CC[5a])(SiC3)(CSiC)	C(CC[5])(SiC3)(CSiC)	C(C[5a]C[5a,6a]2)(CSiC)	115.1940	0.000	1	115.1940	0.000	1	115.1940	0.000	1	115.2053	0.381	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	2:3:1:	3:3:	C-3:C-2:H-1:	O-2:C-3:O-1:	C-3:C-3:	C(COO)(CC)(H)	C(OC[5])(CCH)(O)	C(CCH)(CHH)	C(COO)(CC)(H)	C(OC[5])(CCH)(O)	C(CCH)(CHH)	120.9350	0.000	1	120.9350	0.000	1	120.9350	0.000	1	120.9350	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	2:3:3:	2:3:	C-3:C-2:O-1:	C-2:C-3:N-3:	C-2:C-3:	C(CCN)(CC)(O)	C(CC[6a])(CCO)(NSS)	C(CC[6a])(CCO)	C(CCN)(CC)(O)	C(CC[6a])(CCO)(NSS)	C(CC[6a])(CCO)	118.8640	0.000	1	118.8640	0.000	1	118.8640	0.000	1	118.8640	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:1:1:	2:3:	C-3:C-2:H-1:	C-3:Br-1:Br-1:	C-2:C-3:	C(CBr2)(CC)(H)	C(CCH)(Br)2	C(CC[3x6])(CCH)	C(CBr2)(CC)(H)	C(CCH)(Br)2	C(CC[3x6])(CCH)	124.3435	1.078	2	124.3435	1.163	2	124.3435	1.163	2	123.8988	2.206	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:1:1:	2:3:	C-3:C-2:H-1:	C-3:Br-1:H-1:	C-2:C-3:	C(CBrH)(CC)(H)	C(CCH)(Br)(H)	C(CC[6a])(CCH)	C(CBrH)(CC)(H)	C(CCH)(Br)(H)	C(CC[6a])(CCH)	124.9810	0.000	1	124.9810	0.000	1	124.9810	0.000	1	123.8988	2.206	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:1:1:	2:3:	C-3:C-2:H-1:	C-3:F-1:F-1:	C-2:C-3:	C(CFF)(CC)(H)	C(CCH)(F)2	C(CC[6a])(CCH)	C(CFF)(CC)(H)	C(CCH)(F)2	C(CC[6a])(CCH)	121.9270	0.000	1	121.9270	0.000	1	121.9270	0.000	1	123.8988	2.206	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:1:1:	3:1:	C-3:C-2:H-1:	C-3:H-1:H-1:	C-3:N-1:	C(CHH)(CN)(H)	C(CCH)(H)2	C(CCH)(N)	C(CHH)(CN)(H)	C(CCH)(H)2	C(CCH)(N)	121.7485	0.049	2	121.7485	0.002	2	121.7485	0.002	2	121.7485	0.002	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:1:1:	3:2:	C-3:C-2:H-1:	C-3:H-1:H-1:	C-3:C-2:	C(CHH)(CC)(H)	C(CCH)(H)2	C(CCH)(CH)	C(CHH)(CC)(H)	C(CCH)(H)2	C(CCH)(CH)	172.1690	0.000	1	172.1690	0.000	1	172.1690	0.000	1	137.6110	897.882	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:1:1:	3:2:	C-3:C-2:H-1:	C-3:H-1:H-1:	C-3:N-2:	C(CHH)(CN)(H)	C(CCH)(H)2	C(CCH)(NB)	C(CHH)(CN)(H)	C(CCH)(H)2	C(CCH)(NB)	118.8520	0.000	1	118.8520	0.000	1	120.3320	4.381	2	137.6110	897.882	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:1:1:	3:2:	C-3:C-2:H-1:	C-3:H-1:H-1:	C-3:N-2:	C(CHH)(CN)(H)	C(CCH)(H)2	C(CCH)(NNi)	C(CHH)(CN)(H)	C(CCH)(H)2	C(CCH)(NNi)	121.8120	0.000	1	121.8120	0.000	1	120.3320	4.381	2	137.6110	897.882	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:1:1:	3:3:	C-3:C-2:H-1:	C-3:H-1:H-1:	C-3:C-3:	C(CHH)(CC)(H)	C(CCH)(H)2	C(CCH)(CHH)	C(CHH)(CC)(H)	C(CCH)(H)2	C(CCH)(CHH)	69.1346	0.000	1	69.1346	0.000	1	69.1346	0.000	1	69.1346	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:2:1:	2:3:	C-3:C-2:H-1:	C-3:C-2:H-1:	C-2:C-3:	C(CCH)(CC)(H)	C(CCH)(CC)(H)	C(CC[5])(CCH)	C(CCH)(CC)(H)	C(CCH)(CC)(H)	C(CC[5])(CCH)	124.4050	0.000	1	124.4050	0.000	1	122.2994	11.279	8	120.9561	17.049	10	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:2:1:	2:3:	C-3:C-2:H-1:	C-3:C-2:H-1:	C-2:C-3:	C(CCH)(CC)(H)	C(CCH)(CC)(H)	C(CC[6])(CCH)	C(CCH)(CC)(H)	C(CCH)(CC)(H)	C(CC[6])(CCH)	121.2466	3.999	5	121.2466	15.993	5	122.2994	11.279	8	120.9561	17.049	10	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:2:1:	2:3:	C-3:C-2:H-1:	C-3:C-2:H-1:	C-2:C-3:	C(CCH)(CC)(H)	C(CCH)(CC)(H)	C(CC[6a])(CCH)	C(CCH)(CC)(H)	C(CCH)(CC)(H)	C(CC[6a])(CCH)	123.8785	0.139	2	123.8785	0.019	2	122.2994	11.279	8	120.9561	17.049	10	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:2:1:	2:3:	C-3:C-2:O-1:	C-3:C-2:O-1:	C-2:C-3:	C(CCO)(CC)(O)	C(CCO)(CC)(O)	C(CC[6a])(CCO)	C(CCO)(CC)(O)	C(CCO)(CC)(O)	C(CC[6a])(CCO)	115.5830	1.519	2	115.5830	2.307	2	115.5830	2.307	2	120.9561	17.049	10	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:2:1:	3:1:	C-3:C-2:H-1:	C-3:C-2:H-1:	C-3:N-1:	C(CCH)(CN)(H)	C(CCH)(CN)(H)	C(CCH)(N)	C(CCH)(CN)(H)	C(CCH)(CN)(H)	C(CCH)(N)	125.3140	4.137	2	125.3140	17.111	2	125.3140	17.111	2	125.7603	9.153	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:2:1:	3:1:	C-3:C-2:O-1:	C-3:C-2:O-1:	C-3:C-1:	C(CCO)(CC)(O)	C(CCO)(CC)(O)	C(CCO)(C)	C(CCO)(CC)(O)	C(CCO)(CC)(O)	C(CCO)(C)	126.6530	0.000	1	126.6530	0.000	1	126.6530	0.000	1	125.7603	9.153	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:2:1:	3:2:	C-3:C-2:F-1:	C-3:N-2:F-1:	C-3:C-2:	C(CFN)(CC)(F)	C(CCF)(NC)(F)	C(CCF)(CSi)	C(CFN)(CC)(F)	C(CCF)(NC)(F)	C(CCF)(CSi)	126.1410	0.000	1	126.1410	0.000	1	126.1410	0.000	1	121.9167	4.585	46	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:2:1:	3:2:	C-3:C-2:H-1:	C-3:C-2:H-1:	C-3:C-2:	C(CCH)(CC)(H)	C(CCH)(CC)(H)	C(CCH)(CC)	C(CCH)(CC)(H)	C(CCH)(CC)(H)	C(CCH)(CC)	121.8246	1.969	43	121.8246	3.876	43	121.8246	3.876	43	121.9167	4.585	46	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:2:1:	3:2:	C-3:C-2:H-1:	C-3:O-2:O-1:	C-3:C-2:	C(COO)(CC)(H)	C(CCH)(OC)(O)	C(CCH)(CC)	C(COO)(CC)(H)	C(CCH)(OC)(O)	C(CCH)(CC)	125.3440	0.000	1	125.3440	0.000	1	125.3440	0.000	1	121.9167	4.585	46	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:2:1:	3:2:	C-3:C-2:H-1:	C-3:O-2:O-1:	C-3:N-2:	C(COO)(CN)(H)	C(CCH)(OC)(O)	C(CCH)(NPd)	C(COO)(CN)(H)	C(CCH)(OC)(O)	C(CCH)(NPd)	118.2290	0.000	1	118.2290	0.000	1	118.2290	0.000	1	121.9167	4.585	46	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:2:1:	3:3:	C-3:C-2:H-1:	C-3:C-2:H-1:	C-3:C-3:	C(CCH)(CC)(H)	C(CCH)(CC)(H)	C(CCC)(CCH)	C(CCH)(CC)(H)	C(CCH)(CC)(H)	C(CCC)(CCH)	124.0430	0.000	1	124.0430	0.000	1	124.0430	0.000	1	123.0825	1.845	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:2:1:	3:3:	C-3:C-2:H-1:	C-3:O-2:O-1:	C-3:C-3:	C(COO)(CC)(H)	C(CCH)(OC)(O)	C(CC[5]C)(CCH)	C(COO)(CC)(H)	C(CCH)(OC)(O)	C(CC[5]C)(CCH)	122.1220	0.000	1	122.1220	0.000	1	122.1220	0.000	1	123.0825	1.845	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:2:2:	3:1:	C-3:C-2:S-1:	C-3:S-2:C-2:	C-3:N-1:	C(CCS)(CN)(S)	C(CCS)(SAs)(CN)	C(CCS)(N)	C(CCS)(CN)(S)	C(CCS)(SAs)(CN)	C(CCS)(N)	118.7060	0.643	2	118.7060	0.414	2	118.7060	0.414	2	118.7060	0.414	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:2:2:	3:2:	C-3:C-2:H-1:	C-3:C-2:C-2:	C-3:C-2:	C(CCC)(CC)(H)	C(CCH)(CN)2	C(CCH)(CNi)	C(CCC)(CC)(H)	C(CCH)(CN)2	C(CCH)(CNi)	124.9630	0.000	1	124.9630	0.000	1	124.9630	0.000	1	124.3545	0.741	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:2:2:	3:2:	C-3:C-2:H-1:	C-3:C-2:S-2:	C-3:C-2:	C(CCS)(CC)(H)	C(CCH)(CC)(SC)	C(CCH)(CSi)	C(CCS)(CC)(H)	C(CCH)(CC)(SC)	C(CCH)(CSi)	123.7460	0.000	1	123.7460	0.000	1	123.7460	0.000	1	124.3545	0.741	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:2:3:	3:1:	C-3:C-2:H-1:	C[6a]-3:O-2:C-3:	C-3:N-1:	C(CC[6a]O)(CN)(H)	C(C[6a]C[6a]2)(OC[6a])(CCH)	C(CCH)(N)	C(CC[6a]O)(CN)(H)	C(C[6a]C[6a]2)(OC[6a])(CCH)	C(CCH)(N)	122.9870	1.395	5	122.9870	1.946	5	122.9870	1.946	5	122.9870	1.946	5	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:1:	2:3:	C-3:C-2:H-1:	C-3:C-3:H-1:	C-2:C-3:	C(CCH)(CC)(H)	C(CC[6a]N)(CCH)(H)	C(CC[6a])(CCH)	C(CCH)(CC)(H)	C(CC[6a]N)(CCH)(H)	C(CC[6a])(CCH)	122.9440	0.000	1	122.9440	0.000	1	125.3376	2.034	7	125.8105	2.168	10	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:1:	2:3:	C-3:C-2:H-1:	C-3:C-3:H-1:	C-2:C-3:	C(CCH)(CC)(H)	C(CC[6a]O)(CCH)(H)	C(CC[6a])(CCH)	C(CCH)(CC)(H)	C(CC[6a]O)(CCH)(H)	C(CC[6a])(CCH)	125.7365	1.050	6	125.7365	1.104	6	125.3376	2.034	7	125.8105	2.168	10	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:1:	2:3:	C-3:C-2:H-1:	C[5a]-3:C-3:H-1:	C-2:C-3:	C(CC[5a]H)(CC)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[6a])(CCH)	C(CC[5a]H)(CC)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CC[6a])(CCH)	128.0880	0.000	1	128.0880	0.000	1	128.0880	0.000	1	125.8105	2.168	10	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:1:	2:3:	C-3:C-2:I-1:	C[6a]-3:C-3:I-1:	C-2:C-3:	C(CC[6a]I)(CC)(I)	C(C[6a]C[6a]2)(CCI)(I)	C(CC[6a])(CCI)	C(CC[6a]I)(CC)(I)	C(C[6a]C[6a]2)(CCI)(I)	C(CC[6a])(CCI)	126.3270	0.147	2	126.3270	0.022	2	126.3270	0.022	2	125.8105	2.168	10	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:1:	3:1:	C-3:C-2:Br-1:	N[5]-3:C-3:H-1:	C-3:N-1:	C(CN[5]H)(CN)(Br)	C(N[5]C[5]2)(CBrC)(H)	C(CBrC)(N)	C(CN[5]H)(CN)(Br)	C(N[5]C[5]2)(CBrC)(H)	C(CBrC)(N)	125.5900	0.000	1	125.5900	0.000	1	125.5900	0.000	1	124.6619	146.217	40	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:1:	3:1:	C-3:C-2:H-1:	C-3:C-3:H-1:	C-3:H-1:	C(CCH)(CH)(H)	C(CCC)(CCH)(H)	C(CCH)(H)	C(CCH)(CH)(H)	C(CCC)(CCH)(H)	C(CCH)(H)	145.7290	13.748	2	145.7290	188.996	2	128.1504	229.254	21	124.6619	146.217	40	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:1:	3:1:	C-3:C-2:H-1:	C-3:C-3:H-1:	C-3:H-1:	C(CCH)(CH)(H)	C(CCH)(CCO)(H)	C(CCH)(H)	C(CCH)(CH)(H)	C(CCH)(CCO)(H)	C(CCH)(H)	145.4790	0.000	1	145.4790	0.000	1	128.1504	229.254	21	124.6619	146.217	40	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:1:	3:1:	C-3:C-2:H-1:	C-3:C-3:H-1:	C-3:H-1:	C(CCH)(CH)(H)	C(CCH)(CHN)(H)	C(CCH)(H)	C(CCH)(CH)(H)	C(CCH)(CHN)(H)	C(CCH)(H)	141.1550	0.000	1	141.1550	0.000	1	128.1504	229.254	21	124.6619	146.217	40	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:1:	3:1:	C-3:C-2:H-1:	C-3:C-3:H-1:	C-3:H-1:	C(CCH)(CH)(H)	C(CCH)2(H)	C(CCH)(H)	C(CCH)(CH)(H)	C(CCH)2(H)	C(CCH)(H)	125.4581	13.392	16	125.4581	179.353	16	128.1504	229.254	21	124.6619	146.217	40	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:1:	3:1:	C-3:C-2:H-1:	C-3:C-3:H-1:	C-3:H-1:	C(CCH)(CH)(H)	C(CC[5a]N)(CCH)(H)	C(CCH)(H)	C(CCH)(CH)(H)	C(CC[5a]N)(CCH)(H)	C(CCH)(H)	105.7360	0.000	1	105.7360	0.000	1	128.1504	229.254	21	124.6619	146.217	40	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:1:	3:1:	C-3:C-2:H-1:	C-3:C-3:H-1:	C-3:N-1:	C(CCH)(CN)(H)	C(CCH)(CCN)(H)	C(CCH)(N)	C(CCH)(CN)(H)	C(CCH)(CCN)(H)	C(CCH)(N)	120.4990	0.000	1	120.4990	0.000	1	122.2990	6.480	2	124.6619	146.217	40	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:1:	3:1:	C-3:C-2:H-1:	C-3:C-3:H-1:	C-3:N-1:	C(CCH)(CN)(H)	C(CC[6a]O)(CCH)(H)	C(CCH)(N)	C(CCH)(CN)(H)	C(CC[6a]O)(CCH)(H)	C(CCH)(N)	124.0990	0.000	1	124.0990	0.000	1	122.2990	6.480	2	124.6619	146.217	40	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:1:	3:1:	C-3:C-2:H-1:	C-3:C-3:O-1:	C-3:H-1:	C(CCO)(CH)(H)	C(CCH)2(O)	C(CCH)(H)	C(CCO)(CH)(H)	C(CCH)2(O)	C(CCH)(H)	106.9880	0.000	1	106.9880	0.000	1	106.9880	0.000	1	124.6619	146.217	40	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:1:	3:1:	C-3:C-2:H-1:	C-3:N-3:H-1:	C-3:H-1:	C(CHN)(CH)(H)	C(CCH)(NHN)(H)	C(CCH)(H)	C(CHN)(CH)(H)	C(CCH)(NHN)(H)	C(CCH)(H)	104.1850	0.000	1	104.1850	0.000	1	104.1850	0.000	1	124.6619	146.217	40	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:1:	3:1:	C-3:C-2:H-1:	C[3]-3:C-3:H-1:	C-3:N-1:	C(CC[3]H)(CN)(H)	C(C[3]C[3,6,6]N[3])(CCH)(H)	C(CCH)(N)	C(CC[3]H)(CN)(H)	C(C[3]C[3,6,6]N[3])(CCH)(H)	C(CCH)(N)	122.7030	0.000	1	122.7030	0.000	1	122.7030	0.000	1	124.6619	146.217	40	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:1:	3:1:	C-3:C-2:H-1:	C[5a]-3:C-3:H-1:	C-3:H-1:	C(CC[5a]H)(CH)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CCH)(H)	C(CC[5a]H)(CH)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CCH)(H)	123.0360	0.000	1	123.0360	0.000	1	123.0360	0.000	1	124.6619	146.217	40	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:1:	3:1:	C-3:C-2:H-1:	C[5a]-3:C-3:H-1:	C-3:N-1:	C(CC[5a]H)(CN)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	C(CCH)(N)	C(CC[5a]H)(CN)(H)	C(C[5a]C[5a,6a]C[5a])(CCH)(H)	C(CCH)(N)	122.4070	0.000	1	122.4070	0.000	1	122.0344	4.267	7	124.6619	146.217	40	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:1:	3:1:	C-3:C-2:H-1:	C[5a]-3:C-3:H-1:	C-3:N-1:	C(CC[5a]H)(CN)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CCH)(N)	C(CC[5a]H)(CN)(H)	C(C[5a]C[5a]N[5a])(CCH)(H)	C(CCH)(N)	124.6245	1.947	2	124.6245	3.790	2	122.0344	4.267	7	124.6619	146.217	40	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:1:	3:1:	C-3:C-2:H-1:	C[5a]-3:C-3:H-1:	C-3:N-1:	C(CC[5a]H)(CN)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CCH)(N)	C(CC[5a]H)(CN)(H)	C(C[5a]C[5a]S[5a])(CCH)(H)	C(CCH)(N)	120.7045	0.537	2	120.7045	0.288	2	122.0344	4.267	7	124.6619	146.217	40	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:1:	3:1:	C-3:C-2:H-1:	C[5a]-3:C-3:H-1:	C-3:N-1:	C(CC[5a]H)(CN)(H)	C(C[5a]N[5a]2)(CCH)(H)	C(CCH)(N)	C(CC[5a]H)(CN)(H)	C(C[5a]N[5a]2)(CCH)(H)	C(CCH)(N)	120.5880	0.499	2	120.5880	0.249	2	122.0344	4.267	7	124.6619	146.217	40	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:1:	3:1:	C-3:C-2:H-1:	C[6a]-3:C-3:Cl-1:	C-3:N-1:	C(CC[6a]Cl)(CN)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	C(CCH)(N)	C(CC[6a]Cl)(CN)(H)	C(C[6a]C[6a]2)(CCH)(Cl)	C(CCH)(N)	125.0610	0.000	1	125.0610	0.000	1	125.0610	0.000	1	124.6619	146.217	40	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:1:	3:1:	C-3:C-2:H-1:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(CC[6a]H)(CN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(N)	C(CC[6a]H)(CN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(N)	122.2287	1.572	4	122.2287	2.471	4	122.2287	2.471	4	124.6619	146.217	40	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:1:	3:2:	C-3:C-2:C-1:	C[6]-3:C-3:O-1:	C-3:S-2:	C(CC[6]O)(CS)(C)	C(C[6]C[6]2)(CCC)(O)	C(CCC)(SC)	C(CC[6]O)(CS)(C)	C(C[6]C[6]2)(CCC)(O)	C(CCC)(SC)	107.9440	0.000	1	107.9440	0.000	1	107.9440	0.000	1	118.9082	15.214	13	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:1:	3:2:	C-3:C-2:H-1:	C-3:C-3:H-1:	C-3:C-2:	C(CCH)(CC)(H)	C(CCH)(CHN)(H)	C(CCH)(CP)	C(CCH)(CC)(H)	C(CCH)(CHN)(H)	C(CCH)(CP)	122.9780	0.000	1	122.9780	0.000	1	119.2880	3.903	9	118.9082	15.214	13	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:1:	3:2:	C-3:C-2:H-1:	C-3:C-3:H-1:	C-3:C-2:	C(CCH)(CC)(H)	C(CCH)2(H)	C(CCH)(CC)	C(CCH)(CC)(H)	C(CCH)2(H)	C(CCH)(CC)	119.6357	0.200	6	119.6357	0.040	6	119.2880	3.903	9	118.9082	15.214	13	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:1:	3:2:	C-3:C-2:H-1:	C-3:C-3:H-1:	C-3:C-2:	C(CCH)(CC)(H)	C(CCH)2(H)	C(CCH)(CH)	C(CCH)(CC)(H)	C(CCH)2(H)	C(CCH)(CH)	116.4000	0.000	2	116.4000	0.000	2	119.2880	3.903	9	118.9082	15.214	13	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:1:	3:2:	C-3:C-2:H-1:	C[6a]-3:C-3:H-1:	C-3:C-2:	C(CC[6a]H)(CC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(CC)	C(CC[6a]H)(CC)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(CC)	124.0970	0.000	1	124.0970	0.000	1	124.0970	0.000	1	118.9082	15.214	13	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:1:	3:2:	C-3:C-2:H-1:	C[6a]-3:C-3:H-1:	C-3:N-2:	C(CC[6a]H)(CN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(NNi)	C(CC[6a]H)(CN)(H)	C(C[6a]C[6a]2)(CCH)(H)	C(CCH)(NNi)	119.8260	0.000	1	119.8260	0.000	1	119.8260	0.000	1	118.9082	15.214	13	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:1:	3:2:	C-3:C-2:H-1:	C[6a]-3:C-3:O-1:	C-3:N-2:	C(CC[6a]O)(CN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCH)(NMo)	C(CC[6a]O)(CN)(H)	C(C[6a]C[6a]2)(CCH)(O)	C(CCH)(NMo)	120.3480	0.000	1	120.3480	0.000	1	120.3480	0.000	1	118.9082	15.214	13	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:1:	3:3:	C-3:C-2:H-1:	N-3:C-3:O-1:	C-3:C-3:	C(CNO)(CC)(H)	C(NC[6a]H)(CCH)(O)	C(CC[6a]H)(CCH)	C(CNO)(CC)(H)	C(NC[6a]H)(CCH)(O)	C(CC[6a]H)(CCH)	122.3280	0.000	1	122.3280	0.000	1	122.3280	0.000	1	122.3280	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:1:	4:3:	C-3:C-2:H-1:	C-3:C-3:H-1:	C-4:C-3:	C(CCH)(CC)(H)	C(CCH)2(H)	C(CH3)(CCH)	C(CCH)(CC)(H)	C(CCH)2(H)	C(CH3)(CCH)	119.7560	0.000	1	119.7560	0.000	1	119.7560	0.000	1	119.7560	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:2:	2:3:	C-3:C-2:H-1:	C-3:C-3:C-2:	C-2:C-3:	C(CCC)(CC)(H)	C(CCH)(CNO)(CC)	C(CC[6a])(CCH)	C(CCC)(CC)(H)	C(CCH)(CNO)(CC)	C(CC[6a])(CCH)	124.0150	0.000	1	124.0150	0.000	1	125.3010	2.090	3	125.1069	12.664	7	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:2:	2:3:	C-3:C-2:H-1:	C-3:C-3:C-2:	C-2:C-3:	C(CCC)(CC)(H)	C(CCH)(CNO)(CN)	C(CC[6a])(CCH)	C(CCC)(CC)(H)	C(CCH)(CNO)(CN)	C(CC[6a])(CCH)	125.9440	1.304	2	125.9440	1.700	2	125.3010	2.090	3	125.1069	12.664	7	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:2:	2:3:	C-3:C-2:H-1:	C[6a]-3:C-3:O-2:	C-2:C-3:	C(CC[6a]O)(CC)(H)	C(C[6a]C[5a,6a]C[6a])(CCH)(OC)	C(CC[6a])(CCH)	C(CC[6a]O)(CC)(H)	C(C[6a]C[5a,6a]C[6a])(CCH)(OC)	C(CC[6a])(CCH)	125.4045	8.397	2	125.4045	70.508	2	124.9613	23.869	4	125.1069	12.664	7	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:2:	2:3:	C-3:C-2:H-1:	C[6a]-3:C-3:O-2:	C-2:C-3:	C(CC[6a]O)(CC)(H)	C(C[6a]C[6a]2)(CCH)(OC)	C(CC[6a])(CCH)	C(CC[6a]O)(CC)(H)	C(C[6a]C[6a]2)(CCH)(OC)	C(CC[6a])(CCH)	124.1230	0.000	1	124.1230	0.000	1	124.9613	23.869	4	125.1069	12.664	7	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:2:	2:3:	C-3:C-2:H-1:	C[6a]-3:C-3:O-2:	C-2:C-3:	C(CC[6a]O)(CC)(H)	C(C[6a]C[6a]2)(CCH)(OSi)	C(CC[6a])(CCH)	C(CC[6a]O)(CC)(H)	C(C[6a]C[6a]2)(CCH)(OSi)	C(CC[6a])(CCH)	124.9130	0.000	1	124.9130	0.000	1	124.9613	23.869	4	125.1069	12.664	7	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:2:	3:1:	C-3:C-2:H-1:	C-3:N-3:C-2:	C-3:N-1:	C(CCN)(CN)(H)	C(CCH)(NCC)(CC)	C(CCH)(N)	C(CCN)(CN)(H)	C(CCH)(NCC)(CC)	C(CCH)(N)	121.1760	0.000	1	121.1760	0.000	1	121.1760	0.000	1	121.4795	0.184	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:2:	3:1:	C-3:C-2:H-1:	N[6]-3:C-3:C-2:	C-3:N-1:	C(CN[6]C)(CN)(H)	C(N[6]C[6]2)(CCH)(CC)	C(CCH)(N)	C(CN[6]C)(CN)(H)	C(N[6]C[6]2)(CCH)(CC)	C(CCH)(N)	121.7830	0.000	1	121.7830	0.000	1	121.7830	0.000	1	121.4795	0.184	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:2:	3:2:	C-3:C-2:H-1:	C-3:C-3:S-2:	C-3:C-2:	C(CCS)(CC)(H)	C(CCH)(CCS)(SC)	C(CCH)(CSi)	C(CCS)(CC)(H)	C(CCH)(CCS)(SC)	C(CCH)(CSi)	122.2180	0.395	2	122.2180	0.156	2	122.2180	0.156	2	124.3774	1.903	9	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:2:	3:2:	C-3:C-2:H-1:	C[5a]-3:C-3:S-2:	C-3:C-2:	C(CC[5a]S)(CC)(H)	C(C[5a]C[5a,6]S[5a])(CCH)(SC)	C(CCH)(CSi)	C(CC[5a]S)(CC)(H)	C(C[5a]C[5a,6]S[5a])(CCH)(SC)	C(CCH)(CSi)	124.0770	0.000	1	124.0770	0.000	1	124.8817	0.509	6	124.3774	1.903	9	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:2:	3:2:	C-3:C-2:H-1:	C[5a]-3:C-3:S-2:	C-3:C-2:	C(CC[5a]S)(CC)(H)	C(C[5a]C[5a]S[5a])(CCH)(SC)	C(CCH)(CSi)	C(CC[5a]S)(CC)(H)	C(C[5a]C[5a]S[5a])(CCH)(SC)	C(CCH)(CSi)	125.0426	0.665	5	125.0426	0.442	5	124.8817	0.509	6	124.3774	1.903	9	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:2:	3:2:	C-3:C-2:H-1:	C[6a]-3:C-3:S-2:	C-3:C-2:	C(CC[6a]S)(CC)(H)	C(C[6a]C[6a]2)(CCH)(SC)	C(CCH)(CSi)	C(CC[6a]S)(CC)(H)	C(C[6a]C[6a]2)(CCH)(SC)	C(CCH)(CSi)	125.6710	0.000	1	125.6710	0.000	1	125.6710	0.000	1	124.3774	1.903	9	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:3:	2:3:	C-3:C-2:H-1:	C[6a]-3:C-3:C-3:	C-2:C-3:	C(CC[6a]C)(CC)(H)	C(C[6a]C[6a]2)(CCH)(CNO)	C(CC[6a])(CCH)	C(CC[6a]C)(CC)(H)	C(C[6a]C[6a]2)(CCH)(CNO)	C(CC[6a])(CCH)	126.0470	0.000	1	126.0470	0.000	1	126.0470	0.000	1	125.4826	3.170	10	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:3:	2:3:	C-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-2:C-3:	C(CC[6a]2)(CC)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCH)	C(CC[6a])(CCH)	C(CC[6a]2)(CC)(H)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCH)	C(CC[6a])(CCH)	127.1340	0.000	1	127.1340	0.000	1	126.2347	1.827	4	125.4826	3.170	10	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:3:	2:3:	C-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-2:C-3:	C(CC[6a]2)(CC)(H)	C(C[6a]C[6a]2)2(CCH)	C(CC[6a])(CCH)	C(CC[6a]2)(CC)(H)	C(C[6a]C[6a]2)2(CCH)	C(CC[6a])(CCH)	125.9350	1.484	3	125.9350	2.202	3	126.2347	1.827	4	125.4826	3.170	10	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:3:	2:3:	C-3:C-2:H-1:	C[6a]-3:N-3:C-3:	C-2:C-3:	C(CC[6a]N)(CC)(H)	C(C[6a]C[6a]2)(NC[6a]2)(CCH)	C(CC[6a])(CCH)	C(CC[6a]N)(CC)(H)	C(C[6a]C[6a]2)(NC[6a]2)(CCH)	C(CC[6a])(CCH)	124.9710	0.000	1	124.9710	0.000	1	124.7680	4.477	5	125.4826	3.170	10	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:3:	2:3:	C-3:C-2:H-1:	C[6a]-3:N-3:C-3:	C-2:C-3:	C(CC[6a]N)(CC)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	C(CC[6a])(CCH)	C(CC[6a]N)(CC)(H)	C(C[6a]C[6a]2)(NC[6a]C)(CCH)	C(CC[6a])(CCH)	124.7172	2.440	4	124.7172	5.953	4	124.7680	4.477	5	125.4826	3.170	10	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:3:	3:1:	C-3:C-2:H-1:	C[6]-3:N[6]-3:C-3:	C-3:N-1:	C(CC[6]N[6])(CN)(H)	C(C[6]C[6]2)(N[6]C[6]2)(CCH)	C(CCH)(N)	C(CC[6]N[6])(CN)(H)	C(C[6]C[6]2)(N[6]C[6]2)(CCH)	C(CCH)(N)	120.8400	0.564	2	120.8400	0.318	2	120.8400	0.318	2	122.6980	2.613	6	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:3:	3:1:	C-3:C-2:H-1:	C[6a]-3:C-3:C-3:	C-3:N-1:	C(CC[6a]C)(CN)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CCH)(N)	C(CC[6a]C)(CN)(H)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CCH)(N)	123.4020	0.945	3	123.4020	0.892	3	123.4020	0.892	3	122.6980	2.613	6	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:3:	3:1:	C-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(CC[6a]2)(CN)(H)	C(C[6a]C[6a]2)2(CCH)	C(CCH)(N)	C(CC[6a]2)(CN)(H)	C(C[6a]C[6a]2)2(CCH)	C(CCH)(N)	124.3020	0.000	1	124.3020	0.000	1	124.3020	0.000	1	122.6980	2.613	6	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:3:	3:2:	C-3:C-2:Cl-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(CC[6a]2)(CC)(Cl)	C(C[6a]C[6a]2)2(CClC)	C(CClC)(CRu)	C(CC[6a]2)(CC)(Cl)	C(C[6a]C[6a]2)2(CClC)	C(CClC)(CRu)	130.0410	0.000	1	130.0410	0.000	1	130.0410	0.000	1	125.8667	17.412	8	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:3:	3:2:	C-3:C-2:H-1:	C[6a]-3:C-3:N-3:	C-3:C-2:	C(CC[6a]N)(CC)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C(CCH)(CSi)	C(CC[6a]N)(CC)(H)	C(C[6a]C[6a]2)(CCH)(NCH)	C(CCH)(CSi)	124.1070	0.853	2	124.1070	0.727	2	124.1070	0.727	2	125.8667	17.412	8	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:3:	3:2:	C-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(CC[6a]2)(CC)(H)	C(C[6a]C[6a]2)2(CCH)	C(CCH)(CC)	C(CC[6a]2)(CC)(H)	C(C[6a]C[6a]2)2(CCH)	C(CCH)(CC)	125.4263	1.592	3	125.4263	2.535	3	125.4263	2.535	3	125.8667	17.412	8	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:3:	3:2:	C-3:C-2:H-1:	N-3:C-3:C-3:	C-3:C-2:	C(CCN)(CC)(H)	C(NFeC)(CCH)(CCN)	C(CCH)(CC)	C(CCN)(CC)(H)	C(NFeC)(CCH)(CCN)	C(CCH)(CC)	132.9700	0.000	1	132.9700	0.000	1	132.9700	0.000	1	125.8667	17.412	8	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:3:3:	3:2:	C-3:C-2:O-1:	C[6a]-3:C-3:C-3:	C-3:C-2:	C(CC[6a]C)(CC)(O)	C(C[6a]C[6a]2)(CCO)(CHN)	C(CCO)(CSi)	C(CC[6a]C)(CC)(O)	C(C[6a]C[6a]2)(CCO)(CHN)	C(CCO)(CSi)	119.4300	0.000	1	119.4300	0.000	1	119.4300	0.000	1	125.8667	17.412	8	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:4:3:	2:3:	C-3:C-2:H-1:	C[6]-3:C-4:C-3:	C-2:C-3:	C(CC[6]C)(CC)(H)	C(C[6]C[6]2)(CH3)(CCH)	C(CC[6a])(CCH)	C(CC[6]C)(CC)(H)	C(C[6]C[6]2)(CH3)(CCH)	C(CC[6a])(CCH)	125.4650	0.000	2	125.4650	0.000	2	125.4650	0.000	2	126.2488	5.531	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:4:3:	2:3:	C-3:C-2:H-1:	C[6a]-3:C-4:C-3:	C-2:C-3:	C(CC[6a]C)(CC)(H)	C(C[6a]C[6a]2)(CCHO)(CCH)	C(CC[6a])(CCH)	C(CC[6a]C)(CC)(H)	C(C[6a]C[6a]2)(CCHO)(CCH)	C(CC[6a])(CCH)	124.3740	0.000	1	124.3740	0.000	1	124.3740	0.000	1	126.2488	5.531	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:4:3:	2:3:	C-3:C-2:I-1:	C[6a]-3:S-4:C-3:	C-2:C-3:	C(CC[6a]S)(CC)(I)	C(C[6a]C[6a]2)(SC[6a]OO)(CCI)	C(CC[6a])(CCI)	C(CC[6a]S)(CC)(I)	C(C[6a]C[6a]2)(SC[6a]OO)(CCI)	C(CC[6a])(CCI)	129.6910	0.000	1	129.6910	0.000	1	129.6910	0.000	1	126.2488	5.531	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:4:3:	3:2:	C-3:C-2:H-1:	C[5]-3:S-4:C-3:	C-3:C-2:	C(CC[5]S)(CC)(H)	C(C[5]C[5,6]S[5])(SCOO)(CCH)	C(CCH)(CSi)	C(CC[5]S)(CC)(H)	C(C[5]C[5,6]S[5])(SCOO)(CCH)	C(CCH)(CSi)	126.1233	0.323	3	126.1233	0.104	3	126.1233	0.104	3	127.2309	3.873	9	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:4:3:	3:2:	C-3:C-2:H-1:	C[6a]-3:C-4:C-3:	C-3:C-2:	C(CC[6a]C)(CC)(H)	C(C[6a]C[6a]2)(CBrHH)(CCH)	C(CCH)(CH)	C(CC[6a]C)(CC)(H)	C(C[6a]C[6a]2)(CBrHH)(CCH)	C(CCH)(CH)	124.5480	0.000	1	124.5480	0.000	1	124.5480	0.000	1	127.2309	3.873	9	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	3:4:3:	3:2:	C-3:C-2:H-1:	C[6a]-3:S-4:C-3:	C-3:C-2:	C(CC[6a]S)(CC)(H)	C(C[6a]C[6a]2)(SCOO)(CCH)	C(CCH)(CSi)	C(CC[6a]S)(CC)(H)	C(C[6a]C[6a]2)(SCOO)(CCH)	C(CCH)(CSi)	128.4320	1.781	5	128.4320	3.171	5	128.4320	3.171	5	127.2309	3.873	9	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	4:3:1:	2:3:	C-3:C-2:Br-1:	C[5]-4:C-3:H-1:	C-2:C-3:	C(CC[5]H)(CC)(Br)	C(C[5]C[5]2Fe)(CBrC)(H)	C(CC[6])(CBrC)	C(CC[5]H)(CC)(Br)	C(C[5]C[5]2Fe)(CBrC)(H)	C(CC[6])(CBrC)	123.8840	0.000	1	123.8840	0.000	1	123.8840	0.000	1	124.0152	0.032	5	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	4:3:1:	2:3:	C-3:C-2:H-1:	C-4:C-3:H-1:	C-2:C-3:	C(CCH)(CC)(H)	C(CCHH)(CCH)(H)	C(CC[6a])(CCH)	C(CCH)(CC)(H)	C(CCHH)(CCH)(H)	C(CC[6a])(CCH)	124.0873	0.210	3	124.0873	0.044	3	124.0873	0.044	3	124.0152	0.032	5	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	4:3:1:	2:3:	C-3:C-2:H-1:	C[5]-4:C-3:H-1:	C-2:C-3:	C(CC[5]H)(CC)(H)	C(C[5]C[5]O[5]H)(CCH)(H)	C(CC[6a])(CCH)	C(CC[5]H)(CC)(H)	C(C[5]C[5]O[5]H)(CCH)(H)	C(CC[6a])(CCH)	123.9300	0.000	1	123.9300	0.000	1	123.9300	0.000	1	124.0152	0.032	5	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	4:3:1:	3:1:	C-3:C-2:H-1:	C-4:C-3:H-1:	C-3:H-1:	C(CCH)(CH)(H)	C(CHHN)(CCH)(H)	C(CCH)(H)	C(CCH)(CH)(H)	C(CHHN)(CCH)(H)	C(CCH)(H)	141.4400	0.000	1	141.4400	0.000	1	141.4400	0.000	1	126.8264	44.598	9	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	4:3:1:	3:1:	C-3:C-2:H-1:	C-4:C-3:H-1:	C-3:N-1:	C(CCH)(CN)(H)	C(CCCN)(CCH)(H)	C(CCH)(N)	C(CCH)(CN)(H)	C(CCCN)(CCH)(H)	C(CCH)(N)	124.5915	0.756	2	124.5915	0.571	2	125.4662	27.881	5	126.8264	44.598	9	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	4:3:1:	3:1:	C-3:C-2:H-1:	C-4:C-3:H-1:	C-3:N-1:	C(CCH)(CN)(H)	C(CCHH)(CCH)(H)	C(CCH)(N)	C(CCH)(CN)(H)	C(CCHH)(CCH)(H)	C(CCH)(N)	123.5190	0.000	1	123.5190	0.000	1	125.4662	27.881	5	126.8264	44.598	9	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	4:3:1:	3:1:	C-3:C-2:H-1:	C-4:C-3:H-1:	C-3:N-1:	C(CCH)(CN)(H)	C(CH3)(CCH)(H)	C(CCH)(N)	C(CCH)(CN)(H)	C(CH3)(CCH)(H)	C(CCH)(N)	127.3145	9.940	2	127.3145	98.800	2	125.4662	27.881	5	126.8264	44.598	9	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	4:3:1:	3:1:	C-3:C-2:H-1:	C[5]-4:C-3:H-1:	C-3:N-1:	C(CC[5]H)(CN)(H)	C(C[5]C[5]N[5]H)(CCH)(H)	C(CCH)(N)	C(CC[5]H)(CN)(H)	C(C[5]C[5]N[5]H)(CCH)(H)	C(CCH)(N)	124.5700	0.000	1	124.5700	0.000	1	124.5700	0.000	1	126.8264	44.598	9	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	4:3:1:	3:1:	C-3:C-2:H-1:	C[5]-4:C-3:I-1:	C-3:N-1:	C(CC[5]I)(CN)(H)	C(C[5]C[5]2Fe)(CCH)(I)	C(CCH)(N)	C(CC[5]I)(CN)(H)	C(C[5]C[5]2Fe)(CCH)(I)	C(CCH)(N)	124.0485	1.388	2	124.0485	1.927	2	124.0485	1.927	2	126.8264	44.598	9	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	4:3:1:	3:2:	C-3:C-2:H-1:	C-4:C-3:H-1:	C-3:C-2:	C(CCH)(CC)(H)	C(CCCH)(CCH)(H)	C(CCH)(CC)	C(CCH)(CC)(H)	C(CCCH)(CCH)(H)	C(CCH)(CC)	122.2030	0.000	1	122.2030	0.000	1	123.1890	1.944	2	123.6827	1.703	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	4:3:1:	3:2:	C-3:C-2:H-1:	C-4:C-3:H-1:	C-3:C-2:	C(CCH)(CC)(H)	C(CC[5]HH)(CCH)(H)	C(CCH)(CH)	C(CCH)(CC)(H)	C(CC[5]HH)(CCH)(H)	C(CCH)(CH)	124.1750	0.000	1	124.1750	0.000	1	123.1890	1.944	2	123.6827	1.703	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	4:3:1:	3:2:	C-3:C-2:H-1:	C[5,6]-4:C-3:H-1:	C-3:C-2:	C(CC[5,6]H)(CC)(H)	C(C[5,6]C[5,6,6]C[5,6]H)(CCH)(H)	C(CCH)(CSi)	C(CC[5,6]H)(CC)(H)	C(C[5,6]C[5,6,6]C[5,6]H)(CCH)(H)	C(CCH)(CSi)	124.6700	0.000	1	124.6700	0.000	1	124.6700	0.000	1	123.6827	1.703	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	4:3:1:	4:3:	C-3:C-2:H-1:	C-4:C-3:H-1:	C-4:C-3:	C(CCH)(CC)(H)	C(CCHH)(CCH)(H)	C(CCHH)(CCH)	C(CCH)(CC)(H)	C(CCHH)(CCH)(H)	C(CCHH)(CCH)	130.0980	0.000	1	130.0980	0.000	1	130.0980	0.000	1	130.0980	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	4:3:2:	3:1:	C-3:C-2:H-1:	C-4:C-3:S-2:	C-3:N-1:	C(CCS)(CN)(H)	C(CCHH)(CCH)(SC)	C(CCH)(N)	C(CCS)(CN)(H)	C(CCHH)(CCH)(SC)	C(CCH)(N)	123.0340	0.000	1	123.0340	0.000	1	123.0340	0.000	1	123.4180	0.295	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	4:3:2:	3:1:	C-3:C-2:H-1:	C[5]-4:C-3:C-2:	C-3:N-1:	C(CC[5]C)(CN)(H)	C(C[5]C[5]2Fe)(CCH)(CN)	C(CCH)(N)	C(CC[5]C)(CN)(H)	C(C[5]C[5]2Fe)(CCH)(CN)	C(CCH)(N)	123.8020	0.000	1	123.8020	0.000	1	123.8020	0.000	1	123.4180	0.295	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	4:3:2:	3:2:	C-3:C-2:H-1:	C-4:C-3:C-2:	C-3:C-2:	C(CCC)(CC)(H)	C(CHHO)(CCH)(CC)	C(CCH)(CC)	C(CCC)(CC)(H)	C(CHHO)(CCH)(CC)	C(CCH)(CC)	124.5956	0.767	11	124.5956	0.588	11	124.5956	0.588	11	124.5068	0.550	18	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	4:3:2:	3:2:	C-3:C-2:H-1:	C-4:C-3:S-2:	C-3:C-2:	C(CCS)(CC)(H)	C(CH3)(CCH)(SC)	C(CCH)(CSi)	C(CCS)(CC)(H)	C(CH3)(CCH)(SC)	C(CCH)(CSi)	124.3671	0.735	7	124.3671	0.540	7	124.3671	0.540	7	124.5068	0.550	18	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	4:3:3:	3:1:	C-3:C-2:H-1:	C-4:C-3:C-3:	C-3:H-1:	C(CCC)(CH)(H)	C(CH3)(CCH)2	C(CCH)(H)	C(CCC)(CH)(H)	C(CH3)(CCH)2	C(CCH)(H)	107.8715	8.431	2	107.8715	71.079	2	107.8715	71.079	2	118.1540	80.744	6	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	4:3:3:	3:1:	C-3:C-2:H-1:	C-4:C-3:C-3:	C-3:N-1:	C(CCC)(CN)(H)	C(CH3)(CCH)(CNO)	C(CCH)(N)	C(CCC)(CN)(H)	C(CH3)(CCH)(CNO)	C(CCH)(N)	121.6110	0.000	2	121.6110	0.000	2	121.6110	0.000	2	118.1540	80.744	6	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	4:3:3:	3:1:	C-3:C-2:H-1:	C-4:C-3:N-3:	C-3:N-1:	C(CCN)(CN)(H)	C(CH3)(CCH)(NHP)	C(CCH)(N)	C(CCN)(CN)(H)	C(CH3)(CCH)(NHP)	C(CCH)(N)	123.5470	0.000	1	123.5470	0.000	1	123.5470	0.000	1	118.1540	80.744	6	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	4:3:3:	3:1:	C-3:C-2:H-1:	C[3]-4:C-3:C-3:	C-3:N-1:	C(CC[3]C)(CN)(H)	C(C[3]C[3]2H)(CCH)(COO)	C(CCH)(N)	C(CC[3]C)(CN)(H)	C(C[3]C[3]2H)(CCH)(COO)	C(CCH)(N)	126.4120	0.000	1	126.4120	0.000	1	126.4120	0.000	1	118.1540	80.744	6	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	4:3:3:	3:2:	C-3:C-2:H-1:	C-4:C-3:N-3:	C-3:C-2:	C(CCN)(CC)(H)	C(CH3)(CCH)(NCC)	C(CCH)(CC)	C(CCN)(CC)(H)	C(CH3)(CCH)(NCC)	C(CCH)(CC)	122.4770	0.000	1	122.4770	0.000	1	122.4770	0.000	1	124.1053	2.869	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	4:3:3:	3:2:	C-3:C-2:H-1:	Si-4:C-3:C-3:	C-3:C-2:	C(CSiC)(CC)(H)	C(SiC3)(CSiC)(CCH)	C(CCH)(CSi)	C(CSiC)(CC)(H)	C(SiC3)(CSiC)(CCH)	C(CCH)(CSi)	124.9195	1.327	2	124.9195	1.762	2	124.9195	1.762	2	124.1053	2.869	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	4:4:3:	2:3:	C-3:C-2:H-1:	C-4:Si-4:C-3:	C-2:C-3:	C(CSiC)(CC)(H)	C(CCHO)(SiC3)(CCH)	C(CC[6a])(CCH)	C(CSiC)(CC)(H)	C(CCHO)(SiC3)(CCH)	C(CC[6a])(CCH)	125.9100	0.000	1	125.9100	0.000	1	125.9100	0.000	1	125.9100	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	4:4:3:	3:1:	C-3:C-2:H-1:	C-4:C-4:C-3:	C-3:N-1:	C(CCC)(CN)(H)	C(CC[5]HH)(CH3)(CCH)	C(CCH)(N)	C(CCC)(CN)(H)	C(CC[5]HH)(CH3)(CCH)	C(CCH)(N)	122.1380	0.000	1	122.1380	0.000	1	122.1380	0.000	1	122.1380	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:1:	4:4:3:	3:2:	C-3:C-2:H-1:	C-4:Si-4:C-3:	C-3:C-2:	C(CSiC)(CC)(H)	C(CC[6a]HN)(SiC3)(CCH)	C(CCH)(CSi)	C(CSiC)(CC)(H)	C(CC[6a]HN)(SiC3)(CCH)	C(CCH)(CSi)	126.2570	0.000	1	126.2570	0.000	1	126.2570	0.000	1	126.2570	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	2:3:1:	3:1:	C-3:C-2:C-2:	N-2:C-3:H-1:	C-3:N-1:	C(CHN)(CN)2	C(NC[6])(CCC)(H)	C(CCC)(N)	C(CHN)(CN)2	C(NC[6])(CCC)(H)	C(CCC)(N)	121.4805	1.500	2	121.4805	2.249	2	121.4805	2.249	2	121.4805	2.249	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:1:1:	2:3:	C-3:C-2:C-2:	C-3:Br-1:Br-1:	C-2:C-3:	C(CBr2)(CC)2	C(CCC)(Br)2	C(CC[5])(CCC)	C(CBr2)(CC)2	C(CCC)(Br)2	C(CC[5])(CCC)	121.6440	0.000	1	121.6440	0.000	1	121.1650	0.459	2	120.9133	0.419	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:1:1:	2:3:	C-3:C-2:C-2:	C-3:Br-1:Br-1:	C-2:C-3:	C(CBr2)(CC)2	C(CCC)(Br)2	C(CC[6a])(CCC)	C(CBr2)(CC)2	C(CCC)(Br)2	C(CC[6a])(CCC)	120.6860	0.000	1	120.6860	0.000	1	121.1650	0.459	2	120.9133	0.419	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:1:1:	2:3:	C-3:C-2:O-2:	C-3:H-1:H-1:	C-2:C-3:	C(CHH)(CC)(OB)	C(CCO)(H)2	C(CC[6a])(CCO)	C(CHH)(CC)(OB)	C(CCO)(H)2	C(CC[6a])(CCO)	120.4100	0.000	1	120.4100	0.000	1	120.4100	0.000	1	120.9133	0.419	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:1:1:	3:2:	C-3:C-2:C-2:	C-3:Br-1:Br-1:	C-3:C-2:	C(CBr2)(CC)2	C(CCC)(Br)2	C(CCC)(CC)	C(CBr2)(CC)2	C(CCC)(Br)2	C(CCC)(CC)	120.4320	0.000	1	120.4320	0.000	1	120.4320	0.000	1	120.7960	0.265	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:1:1:	3:2:	C-3:C-2:O-2:	C-3:H-1:H-1:	C-3:C-2:	C(CHH)(CC)(OB)	C(CCO)(H)2	C(CCO)(CC)	C(CHH)(CC)(OB)	C(CCO)(H)2	C(CCO)(CC)	121.1600	0.000	1	121.1600	0.000	1	121.1600	0.000	1	120.7960	0.265	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:1:1:	3:3:	C-3:O-2:C-2:	C-3:H-1:H-1:	C-3:C-3:	C(CHH)(ORh)(CC)	C(CCO)(H)2	C(CCO)2	C(CHH)(ORh)(CC)	C(CCO)(H)2	C(CCO)2	119.2040	0.000	1	119.2040	0.000	1	119.2040	0.000	1	119.2040	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:1:	3:1:	C-3:C-2:C-2:	C-3:C-2:H-1:	C-3:N-1:	C(CCH)(CN)2	C(CCC)(CC)(H)	C(CCC)(N)	C(CCH)(CN)2	C(CCC)(CC)(H)	C(CCC)(N)	121.5540	0.417	2	121.5540	0.174	2	121.5540	0.174	2	120.6151	3.397	28	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:1:	3:1:	C-3:C-2:C-2:	C-3:N-2:O-1:	C-3:N-1:	C(CNO)(CN)2	C(CCC)(NH)(O)	C(CCC)(N)	C(CNO)(CN)2	C(CCC)(NH)(O)	C(CCC)(N)	120.8026	2.192	8	120.8026	4.803	8	120.8026	4.803	8	120.6151	3.397	28	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:1:	3:1:	C-3:C-2:C-2:	C-3:O-2:O-1:	C-3:H-1:	C(COO)(CC)(CH)	C(CCC)(OC)(O)	C(CCC)(H)	C(COO)(CC)(CH)	C(CCC)(OC)(O)	C(CCC)(H)	116.6990	0.000	1	116.6990	0.000	1	116.6990	0.000	1	120.6151	3.397	28	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:1:	3:1:	C-3:C-2:C-2:	C-3:O-2:O-1:	C-3:N-1:	C(COO)(CN)2	C(CCC)(OC)(O)	C(CCC)(N)	C(COO)(CN)2	C(CCC)(OC)(O)	C(CCC)(N)	120.1960	1.426	2	120.1960	2.032	2	120.1960	2.032	2	120.6151	3.397	28	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:1:	3:1:	C-3:C-2:N-2:	C-3:O-2:O-1:	C-3:N-1:	C(COO)(CN)(NN)	C(CCN)(OC)(O)	C(CCN)(N)	C(COO)(CN)(NN)	C(CCN)(OC)(O)	C(CCN)(N)	119.2860	0.000	1	119.2860	0.000	1	119.2082	3.259	5	120.6151	3.397	28	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:1:	3:1:	C-3:C-2:N-2:	C-3:O-2:O-1:	C-3:N-1:	C(COO)(CN)(NO)	C(CCN)(OC)(O)	C(CCN)(N)	C(COO)(CN)(NO)	C(CCN)(OC)(O)	C(CCN)(N)	119.1887	2.084	4	119.1887	4.343	4	119.2082	3.259	5	120.6151	3.397	28	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:1:	3:1:	C-3:S-2:C-2:	C-3:C-2:S-1:	C-3:N-1:	C(CCS)(SAs)(CN)	C(CCS)(CN)(S)	C(CCS)(N)	C(CCS)(SAs)(CN)	C(CCS)(CN)(S)	C(CCS)(N)	120.6440	0.294	2	120.6440	0.087	2	120.6440	0.087	2	120.6151	3.397	28	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:1:	3:1:	C-3:S-2:C-2:	C-3:S-2:H-1:	C-3:N-1:	C(CHS)(SNi)(CN)	C(CCS)(SNi)(H)	C(CCS)(N)	C(CHS)(SNi)(CN)	C(CCS)(SNi)(H)	C(CCS)(N)	121.6594	0.956	8	121.6594	0.915	8	121.6594	0.915	8	120.6151	3.397	28	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:1:	3:2:	C-3:C-2:C-2:	C-3:O-2:O-1:	C-3:N-2:	C(COO)(CN)2	C(CCC)(OC)(O)	C(CCC)(NCu)	C(COO)(CN)2	C(CCC)(OC)(O)	C(CCC)(NCu)	122.7560	1.124	2	122.7560	1.264	2	122.7560	1.264	2	121.6560	1.598	6	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:1:	3:2:	C-3:C-2:N-2:	C-3:O-2:O-1:	C-3:N-2:	C(COO)(CN)(NC)	C(CCN)(OC)(O)	C(CCN)(NC)	C(COO)(CN)(NC)	C(CCN)(OC)(O)	C(CCN)(NC)	121.8000	0.000	1	121.8000	0.000	1	120.8100	1.022	3	121.6560	1.598	6	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:1:	3:2:	C-3:C-2:N-2:	C-3:O-2:O-1:	C-3:N-2:	C(COO)(CN)(NN)	C(CCN)(OC)(O)	C(CCN)(NCu)	C(COO)(CN)(NN)	C(CCN)(OC)(O)	C(CCN)(NCu)	120.8510	0.000	1	120.8510	0.000	1	120.8100	1.022	3	121.6560	1.598	6	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:1:	3:2:	C-3:C-2:N-2:	C-3:O-2:O-1:	C-3:N-2:	C(COO)(CN)(NO)	C(CCN)(OC)(O)	C(CCN)(NNi)	C(COO)(CN)(NO)	C(CCN)(OC)(O)	C(CCN)(NNi)	119.7790	0.000	1	119.7790	0.000	1	120.8100	1.022	3	121.6560	1.598	6	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:1:	3:2:	C-3:C-2:S-2:	C-3:C-2:H-1:	C-3:C-2:	C(CCH)(CC)(SC)	C(CCS)(CC)(H)	C(CCS)(CSi)	C(CCH)(CC)(SC)	C(CCS)(CC)(H)	C(CCS)(CSi)	121.9940	0.000	1	121.9940	0.000	1	121.9940	0.000	1	121.6560	1.598	6	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:1:	3:3:	C-3:C-2:C-2:	C-3:O-2:O-1:	C-3:C-3:	C(COO)(CC)(CH)	C(CCC)(OC)(O)	C(CCC)(CHH)	C(COO)(CC)(CH)	C(CCC)(OC)(O)	C(CCC)(CHH)	121.9210	0.000	1	121.9210	0.000	1	121.9210	0.000	1	121.9210	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	2:3:	C-3:C-2:C-2:	C-3:C-2:C-2:	C-2:C-3:	C(CCC)(CC)(CN)	C(CCC)(CN)2	C(CC[6a])(CCC)	C(CCC)(CC)(CN)	C(CCC)(CN)2	C(CC[6a])(CCC)	123.5650	0.000	1	123.5650	0.000	1	121.4004	2.198	17	121.4004	2.198	17	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	2:3:	C-3:C-2:C-2:	C-3:C-2:C-2:	C-2:C-3:	C(CCC)(CC)2	C(CCC)(CC)2	C(CB[3x6])(CCC)	C(CCC)(CC)2	C(CCC)(CC)2	C(CB[3x6])(CCC)	123.4195	0.036	2	123.4195	0.001	2	121.4004	2.198	17	121.4004	2.198	17	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	2:3:	C-3:C-2:C-2:	C-3:C-2:C-2:	C-2:C-3:	C(CCC)(CC)2	C(CCC)(CC)2	C(CC[6a])(CCC)	C(CCC)(CC)2	C(CCC)(CC)2	C(CC[6a])(CCC)	120.9990	1.324	12	120.9990	1.754	12	121.4004	2.198	17	121.4004	2.198	17	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	2:3:	C-3:C-2:C-2:	C-3:C-2:C-2:	C-2:C-3:	C(CCC)(CC)2	C(CCC)(CN)2	C(CC[6a])(CCC)	C(CCC)(CC)2	C(CCC)(CN)2	C(CC[6a])(CCC)	120.7075	0.371	2	120.7075	0.138	2	121.4004	2.198	17	121.4004	2.198	17	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:1:	C-3:C-2:C-2:	C-3:C-2:C-2:	C-3:N-1:	C(CCC)(CC)(CN)	C(CCC)(CN)2	C(CCC)(N)	C(CCC)(CC)(CN)	C(CCC)(CN)2	C(CCC)(N)	117.2943	1.349	7	117.2943	1.820	7	120.2986	2.474	63	121.1667	2.162	1095	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:1:	C-3:C-2:C-2:	C-3:C-2:C-2:	C-3:N-1:	C(CCC)(CN)2	C(CCC)(CC)(CN)	C(CCC)(N)	C(CCC)(CN)2	C(CCC)(CC)(CN)	C(CCC)(N)	120.3378	1.406	13	120.3378	1.976	13	120.2986	2.474	63	121.1667	2.162	1095	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:1:	C-3:C-2:C-2:	C-3:C-2:C-2:	C-3:N-1:	C(CCC)(CN)2	C(CCC)(CC)2	C(CCC)(N)	C(CCC)(CN)2	C(CCC)(CC)2	C(CCC)(N)	121.3005	0.867	4	121.3005	0.752	4	120.2986	2.474	63	121.1667	2.162	1095	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:1:	C-3:C-2:C-2:	C-3:C-2:C-2:	C-3:N-1:	C(CCC)(CN)2	C(CCC)(CN)2	C(CCC)(N)	C(CCC)(CN)2	C(CCC)(CN)2	C(CCC)(N)	120.7220	1.055	39	120.7220	1.113	39	120.2986	2.474	63	121.1667	2.162	1095	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:1:	C-3:C-2:C-2:	C-3:C-2:O-2:	C-3:N-1:	C(CCO)(CN)2	C(CCC)(CC)(OC)	C(CCC)(N)	C(CCO)(CN)2	C(CCC)(CC)(OC)	C(CCC)(N)	120.7730	1.917	4	120.7730	3.674	4	120.7730	3.674	4	121.1667	2.162	1095	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:1:	C-3:C-2:C-2:	C-3:N-2:O-2:	C-3:N-1:	C(CNO)(CN)2	C(CCC)(NH)(OH)	C(CCC)(N)	C(CNO)(CN)2	C(CCC)(NH)(OH)	C(CCC)(N)	120.4235	0.204	2	120.4235	0.042	2	120.4235	0.042	2	121.1667	2.162	1095	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:1:	C-3:C-2:C-2:	C-3:S-2:S-2:	C-3:N-1:	C(CSS)(CN)2	C(CCC)(SNi)2	C(CCC)(N)	C(CSS)(CN)2	C(CCC)(SNi)2	C(CCC)(N)	121.1948	0.725	16	121.1948	0.526	16	121.3359	0.554	28	121.1667	2.162	1095	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:1:	C-3:C-2:C-2:	C-3:S-2:S-2:	C-3:N-1:	C(CSS)(CN)2	C(CCC)(SPd)2	C(CCC)(N)	C(CSS)(CN)2	C(CCC)(SPd)2	C(CCC)(N)	121.2602	0.459	6	121.2602	0.210	6	121.3359	0.554	28	121.1667	2.162	1095	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:1:	C-3:C-2:C-2:	C-3:S-2:S-2:	C-3:N-1:	C(CSS)(CN)2	C(CCC)(SPt)2	C(CCC)(N)	C(CSS)(CN)2	C(CCC)(SPt)2	C(CCC)(N)	121.7880	0.942	6	121.7880	0.888	6	121.3359	0.554	28	121.1667	2.162	1095	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:1:	C-3:C-2:N-2:	C-3:C-2:N-2:	C-3:N-1:	C(CCN)(CN)(NC)	C(CCN)(CN)(NC)	C(CCN)(N)	C(CCN)(CN)(NC)	C(CCN)(CN)(NC)	C(CCN)(N)	117.9302	0.639	17	117.9302	0.409	17	117.9302	0.409	17	121.1667	2.162	1095	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:1:	C-3:C-2:S-2:	C-3:C-2:S-2:	C-3:N-1:	C(CCS)(CN)(SC)	C(CCS)(CN)(SC)	C(CCS)(N)	C(CCS)(CN)(SC)	C(CCS)(CN)(SC)	C(CCS)(N)	120.1904	0.682	10	120.1904	0.466	10	121.5080	2.184	44	121.1667	2.162	1095	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:1:	C-3:C-2:S-2:	C-3:C-2:S-2:	C-3:N-1:	C(CCS)(CN)(SV)	C(CCS)(CN)(SV)	C(CCS)(N)	C(CCS)(CN)(SV)	C(CCS)(CN)(SV)	C(CCS)(N)	121.0587	0.906	3	121.0587	0.820	3	121.5080	2.184	44	121.1667	2.162	1095	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:1:	C-3:C-2:S-2:	C-3:C-2:S-2:	C-3:N-1:	C(CCS)(CN)(SW)	C(CCS)(CN)(SW)	C(CCS)(N)	C(CCS)(CN)(SW)	C(CCS)(CN)(SW)	C(CCS)(N)	121.9766	1.453	31	121.9766	2.111	31	121.5080	2.184	44	121.1667	2.162	1095	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:1:	C-3:N-2:C-2:	C-3:N-2:C-2:	C-3:N-1:	C(CCN)(NNi)(CN)	C(CCN)(NNi)(CN)	C(CCN)(N)	C(CCN)(NNi)(CN)	C(CCN)(NNi)(CN)	C(CCN)(N)	122.1275	1.074	2	122.1275	1.154	2	122.1275	1.154	2	121.1667	2.162	1095	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:1:	C-3:S-2:C-2:	C-3:S-2:C-2:	C-3:N-1:	C(CCS)(SCo)(CN)	C(CCS)(SCo)(CN)	C(CCS)(N)	C(CCS)(SCo)(CN)	C(CCS)(SCo)(CN)	C(CCS)(N)	121.4212	0.910	20	121.4212	0.828	20	121.2815	1.947	922	121.1667	2.162	1095	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:1:	C-3:S-2:C-2:	C-3:S-2:C-2:	C-3:N-1:	C(CCS)(SCu)(CN)	C(CCS)(SCu)(CN)	C(CCS)(N)	C(CCS)(SCu)(CN)	C(CCS)(SCu)(CN)	C(CCS)(N)	120.9160	1.423	78	120.9160	2.025	78	121.2815	1.947	922	121.1667	2.162	1095	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:1:	C-3:S-2:C-2:	C-3:S-2:C-2:	C-3:N-1:	C(CCS)(SFe)(CN)	C(CCS)(SFe)(CN)	C(CCS)(N)	C(CCS)(SFe)(CN)	C(CCS)(SFe)(CN)	C(CCS)(N)	121.4630	0.802	5	121.4630	0.643	5	121.2815	1.947	922	121.1667	2.162	1095	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:1:	C-3:S-2:C-2:	C-3:S-2:C-2:	C-3:N-1:	C(CCS)(SIr)(CN)	C(CCS)(SIr)(CN)	C(CCS)(N)	C(CCS)(SIr)(CN)	C(CCS)(SIr)(CN)	C(CCS)(N)	121.9105	1.185	4	121.9105	1.403	4	121.2815	1.947	922	121.1667	2.162	1095	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:1:	C-3:S-2:C-2:	C-3:S-2:C-2:	C-3:N-1:	C(CCS)(SMn)(CN)	C(CCS)(SMn)(CN)	C(CCS)(N)	C(CCS)(SMn)(CN)	C(CCS)(SMn)(CN)	C(CCS)(N)	121.1743	0.474	3	121.1743	0.225	3	121.2815	1.947	922	121.1667	2.162	1095	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:1:	C-3:S-2:C-2:	C-3:S-2:C-2:	C-3:N-1:	C(CCS)(SMo)(CN)	C(CCS)(SMo)(CN)	C(CCS)(N)	C(CCS)(SMo)(CN)	C(CCS)(SMo)(CN)	C(CCS)(N)	121.1648	1.378	97	121.1648	1.900	97	121.2815	1.947	922	121.1667	2.162	1095	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:1:	C-3:S-2:C-2:	C-3:S-2:C-2:	C-3:N-1:	C(CCS)(SNi)(CN)	C(CCS)(SNi)(CN)	C(CCS)(N)	C(CCS)(SNi)(CN)	C(CCS)(SNi)(CN)	C(CCS)(N)	121.5502	1.265	484	121.5502	1.600	484	121.2815	1.947	922	121.1667	2.162	1095	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:1:	C-3:S-2:C-2:	C-3:S-2:C-2:	C-3:N-1:	C(CCS)(SPd)(CN)	C(CCS)(SPd)(CN)	C(CCS)(N)	C(CCS)(SPd)(CN)	C(CCS)(SPd)(CN)	C(CCS)(N)	120.3649	0.722	18	120.3649	0.522	18	121.2815	1.947	922	121.1667	2.162	1095	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:1:	C-3:S-2:C-2:	C-3:S-2:C-2:	C-3:N-1:	C(CCS)(SPt)(CN)	C(CCS)(SPt)(CN)	C(CCS)(N)	C(CCS)(SPt)(CN)	C(CCS)(SPt)(CN)	C(CCS)(N)	121.0174	1.604	188	121.0174	2.574	188	121.2815	1.947	922	121.1667	2.162	1095	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:1:	C-3:S-2:C-2:	C-3:S-2:C-2:	C-3:N-1:	C(CCS)(SRe)(CN)	C(CCS)(SRe)(CN)	C(CCS)(N)	C(CCS)(SRe)(CN)	C(CCS)(SRe)(CN)	C(CCS)(N)	121.6376	0.748	7	121.6376	0.560	7	121.2815	1.947	922	121.1667	2.162	1095	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:1:	C-3:S-2:C-2:	C-3:S-2:C-2:	C-3:N-1:	C(CCS)(SRu)(CN)	C(CCS)(SRu)(CN)	C(CCS)(N)	C(CCS)(SRu)(CN)	C(CCS)(SRu)(CN)	C(CCS)(N)	120.1008	0.743	6	120.1008	0.552	6	121.2815	1.947	922	121.1667	2.162	1095	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:1:	C-3:S-2:C-2:	C-3:S-2:C-2:	C-3:N-1:	C(CCS)(SSb)(CN)	C(CCS)(SSb)(CN)	C(CCS)(N)	C(CCS)(SSb)(CN)	C(CCS)(SSb)(CN)	C(CCS)(N)	119.8990	2.073	2	119.8990	4.298	2	121.2815	1.947	922	121.1667	2.162	1095	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:1:	C-3:S-2:C-2:	C-3:S-2:C-2:	C-3:N-1:	C(CCS)(SZn)(CN)	C(CCS)(SZn)(CN)	C(CCS)(N)	C(CCS)(SZn)(CN)	C(CCS)(SZn)(CN)	C(CCS)(N)	119.0198	1.392	10	119.0198	1.938	10	121.2815	1.947	922	121.1667	2.162	1095	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:1:	C-3:Se-2:C-2:	C-3:Se-2:C-2:	C-3:N-1:	C(CSeC)(SeAg)(CN)	C(CSeC)(SeAg)(CN)	C(CSeC)(N)	C(CSeC)(SeAg)(CN)	C(CSeC)(SeAg)(CN)	C(CSeC)(N)	118.4220	0.489	4	118.4220	0.239	4	120.0347	2.230	13	121.1667	2.162	1095	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:1:	C-3:Se-2:C-2:	C-3:Se-2:C-2:	C-3:N-1:	C(CSeC)(SeCu)(CN)	C(CSeC)(SeCu)(CN)	C(CSeC)(N)	C(CSeC)(SeCu)(CN)	C(CSeC)(SeCu)(CN)	C(CSeC)(N)	120.3470	0.031	2	120.3470	0.001	2	120.0347	2.230	13	121.1667	2.162	1095	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:1:	C-3:Se-2:C-2:	C-3:Se-2:C-2:	C-3:N-1:	C(CSeC)(SeNi)(CN)	C(CSeC)(SeNi)(CN)	C(CSeC)(N)	C(CSeC)(SeNi)(CN)	C(CSeC)(SeNi)(CN)	C(CSeC)(N)	121.1434	0.916	5	121.1434	0.839	5	120.0347	2.230	13	121.1667	2.162	1095	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:1:	C-3:Se-2:C-2:	C-3:Se-2:C-2:	C-3:N-1:	C(CSeC)(SePt)(CN)	C(CSeC)(SePt)(CN)	C(CSeC)(N)	C(CSeC)(SePt)(CN)	C(CSeC)(SePt)(CN)	C(CSeC)(N)	120.1760	2.430	2	120.1760	5.903	2	120.0347	2.230	13	121.1667	2.162	1095	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:2:	C-3:C-2:C-2:	C-3:C-2:C-2:	C-3:C-2:	C(CCC)(CC)(CN)	C(CCC)(CN)2	C(CCC)(COs)	C(CCC)(CC)(CN)	C(CCC)(CN)2	C(CCC)(COs)	124.9990	0.000	1	124.9990	0.000	1	122.7711	4.735	30	122.8231	4.119	36	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:2:	C-3:C-2:C-2:	C-3:C-2:C-2:	C-3:C-2:	C(CCC)(CC)(CN)	C(CCC)(CN)2	C(CCC)(CRu)	C(CCC)(CC)(CN)	C(CCC)(CN)2	C(CCC)(CRu)	125.3784	0.783	5	125.3784	0.614	5	122.7711	4.735	30	122.8231	4.119	36	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:2:	C-3:C-2:C-2:	C-3:C-2:C-2:	C-3:C-2:	C(CCC)(CC)2	C(CCC)(CC)2	C(CCC)(CAu)	C(CCC)(CC)2	C(CCC)(CC)2	C(CCC)(CAu)	119.8300	0.000	1	119.8300	0.000	1	122.7711	4.735	30	122.8231	4.119	36	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:2:	C-3:C-2:C-2:	C-3:C-2:C-2:	C-3:C-2:	C(CCC)(CC)2	C(CCC)(CC)2	C(CCC)(CC)	C(CCC)(CC)2	C(CCC)(CC)2	C(CCC)(CC)	122.4598	2.052	18	122.4598	4.211	18	122.7711	4.735	30	122.8231	4.119	36	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:2:	C-3:C-2:C-2:	C-3:C-2:C-2:	C-3:C-2:	C(CCC)(CC)2	C(CCC)(CC)2	C(CCC)(CSi)	C(CCC)(CC)2	C(CCC)(CC)2	C(CCC)(CSi)	121.3533	0.788	3	121.3533	0.621	3	122.7711	4.735	30	122.8231	4.119	36	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:2:	C-3:C-2:C-2:	C-3:C-2:C-2:	C-3:C-2:	C(CCC)(CC)2	C(CCC)(CN)2	C(CCC)(CC)	C(CCC)(CC)2	C(CCC)(CN)2	C(CCC)(CC)	120.1970	0.000	1	120.1970	0.000	1	122.7711	4.735	30	122.8231	4.119	36	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:2:	C-3:C-2:C-2:	C-3:C-2:C-2:	C-3:C-2:	C(CCC)(CC)2	C(CCC)(CN)2	C(CCC)(CRu)	C(CCC)(CC)2	C(CCC)(CN)2	C(CCC)(CRu)	122.8790	0.000	1	122.8790	0.000	1	122.7711	4.735	30	122.8231	4.119	36	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:2:	C-3:C-2:C-2:	C-3:C-2:C-2:	C-3:N-2:	C(CCC)(CN)2	C(CCC)(CC)(CN)	C(CCC)(NRu)	C(CCC)(CN)2	C(CCC)(CC)(CN)	C(CCC)(NRu)	123.3260	0.000	1	123.3260	0.000	1	123.0690	0.132	2	122.8231	4.119	36	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:2:	C-3:C-2:C-2:	C-3:C-2:C-2:	C-3:N-2:	C(CCC)(CN)2	C(CCC)(CN)2	C(CCC)(NW)	C(CCC)(CN)2	C(CCC)(CN)2	C(CCC)(NW)	122.8120	0.000	1	122.8120	0.000	1	123.0690	0.132	2	122.8231	4.119	36	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:2:	C-3:C-2:O-2:	C-3:C-2:C-2:	C-3:C-2:	C(CCC)(CC)(OC)	C(CCO)(CN)2	C(CCO)(CRu)	C(CCC)(CC)(OC)	C(CCO)(CN)2	C(CCO)(CRu)	124.1790	0.785	2	124.1790	0.616	2	124.1790	0.616	2	122.8231	4.119	36	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:2:	C-3:C-2:S-2:	C-3:C-2:S-2:	C-3:C-2:	C(CCS)(CC)(SC)	C(CCS)(CC)(SC)	C(CCS)(CSi)	C(CCS)(CC)(SC)	C(CCS)(CC)(SC)	C(CCS)(CSi)	121.3440	0.000	1	121.3440	0.000	1	121.3440	0.000	1	122.8231	4.119	36	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:2:2:	3:2:	C-3:Se-2:C-2:	C-3:Se-2:C-2:	C-3:C-2:	C(CSeC)(SeC)(CC)	C(CSeC)(SeC)(CW)	C(CSeC)(CC)	C(CSeC)(SeC)(CC)	C(CSeC)(SeC)(CW)	C(CSeC)(CC)	122.6580	0.000	1	122.6580	0.000	1	122.6580	0.000	1	122.8231	4.119	36	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	3:1:	C-3:C-2:C-2:	C-3:C-3:H-1:	C-3:N-1:	C(CCH)(CN)2	C(CCC)(CCH)(H)	C(CCC)(N)	C(CCH)(CN)2	C(CCC)(CCH)(H)	C(CCC)(N)	121.9037	0.818	20	121.9037	0.669	20	121.8888	2.657	40	121.7870	7.248	317	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	3:1:	C-3:C-2:C-2:	C-3:C-3:H-1:	C-3:N-1:	C(CCH)(CN)2	C(CCC)2(H)	C(CCC)(N)	C(CCH)(CN)2	C(CCC)2(H)	C(CCC)(N)	122.3808	3.594	4	122.3808	12.914	4	121.8888	2.657	40	121.7870	7.248	317	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	3:1:	C-3:C-2:C-2:	C-3:C-3:H-1:	C-3:N-1:	C(CCH)(CN)2	C(CC[5]C)(CCC)(H)	C(CCC)(N)	C(CCH)(CN)2	C(CC[5]C)(CCC)(H)	C(CCC)(N)	121.8445	2.761	2	121.8445	7.625	2	121.8888	2.657	40	121.7870	7.248	317	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	3:1:	C-3:C-2:C-2:	C-3:C-3:H-1:	C-3:N-1:	C(CCH)(CN)2	C(CC[6a]2)(CCC)(H)	C(CCC)(N)	C(CCH)(CN)2	C(CC[6a]2)(CCC)(H)	C(CCC)(N)	121.9760	1.113	2	121.9760	1.239	2	121.8888	2.657	40	121.7870	7.248	317	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	3:1:	C-3:C-2:C-2:	C-3:C-3:H-1:	C-3:N-1:	C(CCH)(CN)2	C(CC[6a]C)(CCC)(H)	C(CCC)(N)	C(CCH)(CN)2	C(CC[6a]C)(CCC)(H)	C(CCC)(N)	122.3680	2.790	2	122.3680	7.785	2	121.8888	2.657	40	121.7870	7.248	317	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	3:1:	C-3:C-2:C-2:	C-3:C-3:H-1:	C-3:N-1:	C(CCH)(CN)2	C(CC[6a]C[5])(CCC)(H)	C(CCC)(N)	C(CCH)(CN)2	C(CC[6a]C[5])(CCC)(H)	C(CCC)(N)	122.9345	4.553	2	122.9345	20.730	2	121.8888	2.657	40	121.7870	7.248	317	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	3:1:	C-3:C-2:C-2:	C-3:C-3:H-1:	C-3:N-1:	C(CCH)(CN)2	C(CC[6a]H)(CCC)(H)	C(CCC)(N)	C(CCH)(CN)2	C(CC[6a]H)(CCC)(H)	C(CCC)(N)	120.9200	0.919	4	120.9200	0.845	4	121.8888	2.657	40	121.7870	7.248	317	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	3:1:	C-3:C-2:C-2:	C-3:C-3:H-1:	C-3:N-1:	C(CCH)(CN)2	C(COsC)(CCC)(H)	C(CCC)(N)	C(CCH)(CN)2	C(COsC)(CCC)(H)	C(CCC)(N)	120.9230	0.158	2	120.9230	0.025	2	121.8888	2.657	40	121.7870	7.248	317	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	3:1:	C-3:C-2:C-2:	C-3:C-3:H-1:	C-3:N-1:	C(CCH)(CN)2	C(CRuC)(CCC)(H)	C(CCC)(N)	C(CCH)(CN)2	C(CRuC)(CCC)(H)	C(CCC)(N)	122.0910	1.700	2	122.0910	2.890	2	121.8888	2.657	40	121.7870	7.248	317	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	3:1:	C-3:C-2:C-2:	C-3:N-3:H-1:	C-3:N-1:	C(CHN)(CN)2	C(CCC)(NCC)(H)	C(CCC)(N)	C(CHN)(CN)2	C(CCC)(NCC)(H)	C(CCC)(N)	122.4700	8.422	2	122.4700	70.924	2	122.4700	70.924	2	121.7870	7.248	317	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	3:1:	C-3:C-2:C-2:	C-3:N-3:O-1:	C-3:N-1:	C(CNO)(CN)2	C(CCC)(NHH)(O)	C(CCC)(N)	C(CNO)(CN)2	C(CCC)(NHH)(O)	C(CCC)(N)	120.5942	1.929	42	120.5942	3.722	42	120.5942	3.722	42	121.7870	7.248	317	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	3:1:	C-3:C-2:C-2:	C[5]-3:C-3:H-1:	C-3:N-1:	C(CC[5]H)(CN)2	C(C[5]C[5]N[5])(CCC)(H)	C(CCC)(N)	C(CC[5]H)(CN)2	C(C[5]C[5]N[5])(CCC)(H)	C(CCC)(N)	122.8551	2.471	8	122.8551	6.108	8	122.8551	6.108	8	121.7870	7.248	317	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	3:1:	C-3:C-2:C-2:	C[5a]-3:C-3:H-1:	C-3:N-1:	C(CC[5a]H)(CN)2	C(C[5a]C[5a]2)(CCC)(H)	C(CCC)(N)	C(CC[5a]H)(CN)2	C(C[5a]C[5a]2)(CCC)(H)	C(CCC)(N)	122.1790	3.621	4	122.1790	13.108	4	121.9881	4.123	48	121.7870	7.248	317	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	3:1:	C-3:C-2:C-2:	C[5a]-3:C-3:H-1:	C-3:N-1:	C(CC[5a]H)(CN)2	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CCC)(N)	C(CC[5a]H)(CN)2	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CCC)(N)	122.3565	3.081	2	122.3565	9.492	2	121.9881	4.123	48	121.7870	7.248	317	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	3:1:	C-3:C-2:C-2:	C[5a]-3:C-3:H-1:	C-3:N-1:	C(CC[5a]H)(CN)2	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CCC)(N)	C(CC[5a]H)(CN)2	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CCC)(N)	121.9524	1.877	42	121.9524	3.524	42	121.9881	4.123	48	121.7870	7.248	317	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	3:1:	C-3:C-2:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(CC[6a]H)(CN)2	C(C[6a]C[5,6a]C[6a])(CCC)(H)	C(CCC)(N)	C(CC[6a]H)(CN)2	C(C[6a]C[5,6a]C[6a])(CCC)(H)	C(CCC)(N)	122.5610	2.469	2	122.5610	6.097	2	122.4691	7.816	154	121.7870	7.248	317	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	3:1:	C-3:C-2:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(CC[6a]H)(CN)2	C(C[6a]C[5a,6a]C[6a])(CCC)(H)	C(CCC)(N)	C(CC[6a]H)(CN)2	C(C[6a]C[5a,6a]C[6a])(CCC)(H)	C(CCC)(N)	122.7085	3.077	4	122.7085	9.466	4	122.4691	7.816	154	121.7870	7.248	317	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	3:1:	C-3:C-2:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(CC[6a]H)(CN)2	C(C[6a]C[6a,6a]2)(CCC)(H)	C(CCC)(N)	C(CC[6a]H)(CN)2	C(C[6a]C[6a,6a]2)(CCC)(H)	C(CCC)(N)	122.3060	2.458	6	122.3060	6.039	6	122.4691	7.816	154	121.7870	7.248	317	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	3:1:	C-3:C-2:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(CC[6a]H)(CN)2	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(CCC)(N)	C(CC[6a]H)(CN)2	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(CCC)(N)	122.0510	1.290	28	122.0510	1.665	28	122.4691	7.816	154	121.7870	7.248	317	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	3:1:	C-3:C-2:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(CC[6a]H)(CN)2	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(N)	C(CC[6a]H)(CN)2	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(N)	122.5703	3.091	114	122.5703	9.555	114	122.4691	7.816	154	121.7870	7.248	317	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	3:1:	C-3:C-2:C-2:	C[6a]-3:C-3:O-1:	C-3:N-1:	C(CC[6a]O)(CN)2	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(N)	C(CC[6a]O)(CN)2	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(N)	122.1940	1.133	2	122.1940	1.283	2	122.1940	1.283	2	121.7870	7.248	317	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	3:1:	C-3:C-2:C-2:	N-3:C-3:H-1:	C-3:N-1:	C(CHN)(CN)2	C(NC[6a]H)(CCC)(H)	C(CCC)(N)	C(CHN)(CN)2	C(NC[6a]H)(CCC)(H)	C(CCC)(N)	120.8780	0.796	2	120.8780	0.634	2	120.8780	0.634	2	121.7870	7.248	317	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	3:1:	C-3:C-2:N-2:	C-3:N-3:O-1:	C-3:N-1:	C(CNO)(CN)(NN)	C(CCN)(NHH)(O)	C(CCN)(N)	C(CNO)(CN)(NN)	C(CCN)(NHH)(O)	C(CCN)(N)	118.8930	0.000	1	118.8930	0.000	1	117.7119	1.988	8	121.7870	7.248	317	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	3:1:	C-3:C-2:N-2:	C-3:N-3:O-1:	C-3:N-1:	C(CNO)(CN)(NO)	C(CCN)(NCC)(O)	C(CCN)(N)	C(CNO)(CN)(NO)	C(CCN)(NCC)(O)	C(CCN)(N)	116.4405	0.098	2	116.4405	0.010	2	117.7119	1.988	8	121.7870	7.248	317	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	3:1:	C-3:C-2:N-2:	C-3:N-3:O-1:	C-3:N-1:	C(CNO)(CN)(NO)	C(CCN)(NHH)(O)	C(CCN)(N)	C(CNO)(CN)(NO)	C(CCN)(NHH)(O)	C(CCN)(N)	117.9842	1.492	5	117.9842	2.227	5	117.7119	1.988	8	121.7870	7.248	317	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	3:1:	C-3:C-2:N-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(CC[6a]H)(CN)(NC)	C(C[6a]C[6a]2)(CCN)(H)	C(CCN)(N)	C(CC[6a]H)(CN)(NC)	C(C[6a]C[6a]2)(CCN)(H)	C(CCN)(N)	117.7623	0.582	3	117.7623	0.338	3	117.7623	0.338	3	121.7870	7.248	317	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	3:1:	C-3:C-2:N-2:	C[6a]-3:C-3:O-1:	C-3:N-1:	C(CC[6a]O)(CN)(NN)	C(C[6a]C[6a]2)(CCN)(O)	C(CCN)(N)	C(CC[6a]O)(CN)(NN)	C(C[6a]C[6a]2)(CCN)(O)	C(CCN)(N)	115.7105	0.129	2	115.7105	0.017	2	116.3673	1.303	3	121.7870	7.248	317	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	3:1:	C-3:C-2:N-2:	C[6a]-3:C-3:O-1:	C-3:N-1:	C(CC[6a]O)(CN)(NO)	C(C[6a]C[6a]2)(CCN)(O)	C(CCN)(N)	C(CC[6a]O)(CN)(NO)	C(C[6a]C[6a]2)(CCN)(O)	C(CCN)(N)	117.6810	0.000	1	117.6810	0.000	1	116.3673	1.303	3	121.7870	7.248	317	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	3:1:	C-3:C-2:N-2:	N[6]-3:C-3:O-1:	C-3:N-1:	C(CN[6]O)(CN)(NO)	C(N[6]C[6]2)(CCN)(O)	C(CCN)(N)	C(CN[6]O)(CN)(NO)	C(N[6]C[6]2)(CCN)(O)	C(CCN)(N)	113.1200	0.000	1	113.1200	0.000	1	113.1200	0.000	1	121.7870	7.248	317	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	3:1:	C-3:S-2:C-2:	C-3:C-3:H-1:	C-3:N-1:	C(CCH)(SNi)(CN)	C(CCH)(CCS)(H)	C(CCS)(N)	C(CCH)(SNi)(CN)	C(CCH)(CCS)(H)	C(CCS)(N)	119.4695	1.562	2	119.4695	2.440	2	119.7940	1.830	4	121.7870	7.248	317	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	3:1:	C-3:S-2:C-2:	C-3:C-3:H-1:	C-3:N-1:	C(CCH)(SPt)(CN)	C(CCH)(CCS)(H)	C(CCS)(N)	C(CCH)(SPt)(CN)	C(CCH)(CCS)(H)	C(CCS)(N)	120.1185	1.621	2	120.1185	2.629	2	119.7940	1.830	4	121.7870	7.248	317	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	3:2:	C-3:C-2:C-2:	C-3:N-3:O-1:	C-3:N-2:	C(CNO)(CN)2	C(CCC)(NHH)(O)	C(CCC)(NCu)	C(CNO)(CN)2	C(CCC)(NHH)(O)	C(CCC)(NCu)	121.4820	3.469	2	121.4820	12.034	2	121.4820	12.034	2	125.6252	26.993	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	3:2:	C-3:O-2:C-2:	C[6a]-3:C-3:H-1:	C-3:C-2:	C(CC[6a]H)(OC[5])(CC)	C(C[6a]C[6a]2)(CCO)(H)	C(CCO)(CH)	C(CC[6a]H)(OC[5])(CC)	C(C[6a]C[6a]2)(CCO)(H)	C(CCO)(CH)	130.1420	0.000	1	130.1420	0.000	1	129.7685	0.279	2	125.6252	26.993	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	3:2:	C-3:O-2:C-2:	C[6a]-3:C-3:H-1:	C-3:C-2:	C(CC[6a]H)(OC[6])(CC)	C(C[6a]C[6a]2)(CCO)(H)	C(CCO)(CH)	C(CC[6a]H)(OC[6])(CC)	C(C[6a]C[6a]2)(CCO)(H)	C(CCO)(CH)	129.3950	0.000	1	129.3950	0.000	1	129.7685	0.279	2	125.6252	26.993	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:1:	4:3:	C-3:O-2:C-2:	C-3:C-3:H-1:	C-4:C-3:	C(CCH)(OIr)(CC)	C(CCO)2(H)	C(CCHH)(CCO)	C(CCH)(OIr)(CC)	C(CCO)2(H)	C(CCHH)(CCO)	117.4220	0.000	1	117.4220	0.000	1	117.4220	0.000	1	117.4220	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:2:	3:1:	C-3:C-2:C-2:	C-3:C-3:C-2:	C-3:N-1:	C(CCC)(CN)2	C(CCC)(CCH)(CN)	C(CCC)(N)	C(CCC)(CN)2	C(CCC)(CCH)(CN)	C(CCC)(N)	122.3905	1.480	2	122.3905	2.190	2	122.0560	2.798	24	121.5744	3.322	194	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:2:	3:1:	C-3:C-2:C-2:	C-3:C-3:C-2:	C-3:N-1:	C(CCC)(CN)2	C(CCC)2(CC)	C(CCC)(N)	C(CCC)(CN)2	C(CCC)2(CC)	C(CCC)(N)	121.7470	0.988	4	121.7470	0.976	4	122.0560	2.798	24	121.5744	3.322	194	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:2:	3:1:	C-3:C-2:C-2:	C-3:C-3:C-2:	C-3:N-1:	C(CCC)(CN)2	C(CCC)2(CN)	C(CCC)(N)	C(CCC)(CN)2	C(CCC)2(CN)	C(CCC)(N)	122.3213	1.680	12	122.3213	2.823	12	122.0560	2.798	24	121.5744	3.322	194	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:2:	3:1:	C-3:C-2:C-2:	C-3:C-3:C-2:	C-3:N-1:	C(CCC)(CN)2	C(CC[5]C)(CCC)(CC)	C(CCC)(N)	C(CCC)(CN)2	C(CC[5]C)(CCC)(CC)	C(CCC)(N)	121.7465	2.986	2	121.7465	8.917	2	122.0560	2.798	24	121.5744	3.322	194	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:2:	3:1:	C-3:C-2:C-2:	C-3:C-3:C-2:	C-3:N-1:	C(CCC)(CN)2	C(CC[6a]C)(CCC)(CC)	C(CCC)(N)	C(CCC)(CN)2	C(CC[6a]C)(CCC)(CC)	C(CCC)(N)	120.6830	3.619	2	120.6830	13.097	2	122.0560	2.798	24	121.5744	3.322	194	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:2:	3:1:	C-3:C-2:C-2:	C-3:C-3:C-2:	C-3:N-1:	C(CCC)(CN)2	C(CC[6a]C)(CCC)(CN)	C(CCC)(N)	C(CCC)(CN)2	C(CC[6a]C)(CCC)(CN)	C(CCC)(N)	122.4300	0.683	2	122.4300	0.467	2	122.0560	2.798	24	121.5744	3.322	194	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:2:	3:1:	C-3:C-2:C-2:	C-3:C-3:O-2:	C-3:N-1:	C(CCO)(CN)2	C(CCC)2(OC)	C(CCC)(N)	C(CCO)(CN)2	C(CCC)2(OC)	C(CCC)(N)	122.0274	1.823	52	122.0274	3.323	52	122.0274	3.323	52	121.5744	3.322	194	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:2:	3:1:	C-3:C-2:C-2:	C-3:C-3:S-2:	C-3:N-1:	C(CCS)(CN)2	C(CCC)2(SC)	C(CCC)(N)	C(CCS)(CN)2	C(CCC)2(SC)	C(CCC)(N)	122.3692	0.871	18	122.3692	0.759	18	122.3692	0.759	18	121.5744	3.322	194	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:2:	3:1:	C-3:C-2:C-2:	C-3:N-3:C-2:	C-3:N-1:	C(CCN)(CN)2	C(CCC)(NHH)(CN)	C(CCC)(N)	C(CCN)(CN)2	C(CCC)(NHH)(CN)	C(CCC)(N)	121.6265	1.860	2	121.6265	3.461	2	121.6265	3.461	2	121.5744	3.322	194	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:2:	3:1:	C-3:C-2:C-2:	C[5]-3:C-3:C-2:	C-3:N-1:	C(CC[5]C)(CN)2	C(C[5]N[5]2)(CCC)(CN)	C(CCC)(N)	C(CC[5]C)(CN)2	C(C[5]N[5]2)(CCC)(CN)	C(CCC)(N)	121.7495	2.229	4	121.7495	4.970	4	121.7495	4.970	4	121.5744	3.322	194	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:2:	3:1:	C-3:C-2:C-2:	C[5a]-3:C-3:C-2:	C-3:N-1:	C(CC[5a]C)(CN)2	C(C[5a]C[5a,6]C[5a])(CCC)(CN)	C(CCC)(N)	C(CC[5a]C)(CN)2	C(C[5a]C[5a,6]C[5a])(CCC)(CN)	C(CCC)(N)	122.2560	1.471	2	122.2560	2.163	2	121.9810	3.209	40	121.5744	3.322	194	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:2:	3:1:	C-3:C-2:C-2:	C[5a]-3:C-3:C-2:	C-3:N-1:	C(CC[5a]C)(CN)2	C(C[5a]C[5a,6]S[5a])(CCC)(CN)	C(CCC)(N)	C(CC[5a]C)(CN)2	C(C[5a]C[5a,6]S[5a])(CCC)(CN)	C(CCC)(N)	122.8058	2.033	4	122.8058	4.133	4	121.9810	3.209	40	121.5744	3.322	194	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:2:	3:1:	C-3:C-2:C-2:	C[5a]-3:C-3:C-2:	C-3:N-1:	C(CC[5a]C)(CN)2	C(C[5a]C[5a,6a]C[5a])(CCC)(CN)	C(CCC)(N)	C(CC[5a]C)(CN)2	C(C[5a]C[5a,6a]C[5a])(CCC)(CN)	C(CCC)(N)	122.6600	2.749	2	122.6600	7.558	2	121.9810	3.209	40	121.5744	3.322	194	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:2:	3:1:	C-3:C-2:C-2:	C[5a]-3:C-3:C-2:	C-3:N-1:	C(CC[5a]C)(CN)2	C(C[5a]C[5a]S[5a])(CCC)(CN)	C(CCC)(N)	C(CC[5a]C)(CN)2	C(C[5a]C[5a]S[5a])(CCC)(CN)	C(CCC)(N)	121.8183	1.781	32	121.8183	3.173	32	121.9810	3.209	40	121.5744	3.322	194	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:2:	3:1:	C-3:C-2:C-2:	C[6]-3:C-3:C-2:	C-3:N-1:	C(CC[6]C)(CN)2	C(C[6]C[6]2)(CCC)(CN)	C(CCC)(N)	C(CC[6]C)(CN)2	C(C[6]C[6]2)(CCC)(CN)	C(CCC)(N)	121.7975	1.271	6	121.7975	1.616	6	121.7975	1.616	6	121.5744	3.322	194	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:2:	3:1:	C-3:C-2:C-2:	C[6a]-3:C-3:C-2:	C-3:N-1:	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CCC)(CN)	C(CCC)(N)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CCC)(CN)	C(CCC)(N)	121.8995	2.444	6	121.8995	5.971	6	121.8995	5.971	6	121.5744	3.322	194	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:2:	3:1:	C-3:C-2:N-2:	C-3:N-3:C-2:	C-3:N-1:	C(CCN)(CN)(NC)	C(CCN)(NCH)(CN)	C(CCN)(N)	C(CCN)(CN)(NC)	C(CCN)(NCH)(CN)	C(CCN)(N)	118.8710	0.000	1	118.8710	0.000	1	120.0432	0.762	25	121.5744	3.322	194	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:2:	3:1:	C-3:C-2:N-2:	C-3:N-3:C-2:	C-3:N-1:	C(CCN)(CN)(NC)	C(CCN)(NHH)(CN)	C(CCN)(N)	C(CCN)(CN)(NC)	C(CCN)(NHH)(CN)	C(CCN)(N)	120.0920	0.856	24	120.0920	0.733	24	120.0432	0.762	25	121.5744	3.322	194	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:2:	3:1:	C-3:C-2:N-2:	N-3:C-3:O-2:	C-3:N-1:	C(CNO)(CN)(NN)	C(NCoH)(CCN)(OC)	C(CCN)(N)	C(CNO)(CN)(NN)	C(NCoH)(CCN)(OC)	C(CCN)(N)	117.7780	0.000	1	117.7780	0.000	1	117.9210	0.041	2	121.5744	3.322	194	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:2:	3:1:	C-3:C-2:N-2:	N-3:C-3:O-2:	C-3:N-1:	C(CNO)(CN)(NN)	C(NCuH)(CCN)(OC)	C(CCN)(N)	C(CNO)(CN)(NN)	C(NCuH)(CCN)(OC)	C(CCN)(N)	118.0640	0.000	1	118.0640	0.000	1	117.9210	0.041	2	121.5744	3.322	194	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:2:	3:1:	C-3:N-2:C-2:	N-3:C-3:C-2:	C-3:N-1:	C(CCN)(NZn)(CN)	C(NZnC)(CCN)(CN)	C(CCN)(N)	C(CCN)(NZn)(CN)	C(NZnC)(CCN)(CN)	C(CCN)(N)	117.0190	0.031	2	117.0190	0.001	2	117.0190	0.001	2	121.5744	3.322	194	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:2:	3:1:	C-3:S-2:C-2:	S-3:C-3:C-2:	C-3:N-1:	C(CCS)(SCo)(CN)	C(SCo2)(CCS)(CN)	C(CCS)(N)	C(CCS)(SCo)(CN)	C(SCo2)(CCS)(CN)	C(CCS)(N)	120.4380	0.974	10	120.4380	0.948	10	120.4138	1.248	13	121.5744	3.322	194	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:2:	3:1:	C-3:S-2:C-2:	S-3:C-3:C-2:	C-3:N-1:	C(CCS)(SMo)(CN)	C(SMo2)(CCS)(CN)	C(CCS)(N)	C(CCS)(SMo)(CN)	C(SMo2)(CCS)(CN)	C(CCS)(N)	120.3330	1.791	3	120.3330	3.209	3	120.4138	1.248	13	121.5744	3.322	194	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:2:	3:2:	C-3:C-2:C-2:	C-3:C-3:C-2:	C-3:N-2:	C(CCC)(CN)2	C(CCC)2(CN)	C(CCC)(NFe)	C(CCC)(CN)2	C(CCC)2(CN)	C(CCC)(NFe)	118.7320	0.000	1	118.7320	0.000	1	118.9335	0.081	2	120.6426	3.841	10	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:2:	3:2:	C-3:C-2:C-2:	C-3:C-3:C-2:	C-3:N-2:	C(CCC)(CN)2	C(CCC)2(CN)	C(CCC)(NMn)	C(CCC)(CN)2	C(CCC)2(CN)	C(CCC)(NMn)	119.1350	0.000	1	119.1350	0.000	1	118.9335	0.081	2	120.6426	3.841	10	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:2:	3:2:	C-3:C-2:C-2:	C-3:C-3:O-2:	C-3:N-2:	C(CCO)(CN)2	C(CCC)2(OC)	C(CCC)(NFe)	C(CCO)(CN)2	C(CCC)2(OC)	C(CCC)(NFe)	120.3435	1.694	6	120.3435	2.870	6	120.3435	2.870	6	120.6426	3.841	10	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:2:	3:2:	C-3:C-2:C-2:	C-3:C-3:S-2:	C-3:N-2:	C(CCS)(CN)2	C(CCC)2(SC)	C(CCC)(NFe)	C(CCS)(CN)2	C(CCC)2(SC)	C(CCC)(NFe)	123.2490	0.420	2	123.2490	0.176	2	123.2490	0.176	2	120.6426	3.841	10	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:3:	2:3:	C-3:C-2:C-2:	C[6a]-3:C[6a]-3:C-3:	C-2:C-3:	C(CC[6a]2)(CC)2	C(C[6a]C[6a]2)2(CCC)	C(CC[6a])(CCC)	C(CC[6a]2)(CC)2	C(C[6a]C[6a]2)2(CCC)	C(CC[6a])(CCC)	122.4545	0.298	2	122.4545	0.089	2	122.4545	0.089	2	122.4545	0.089	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:3:	3:1:	C-3:C-2:C-2:	C-3:C-3:C-3:	C-3:N-1:	C(CCC)(CN)2	C(CCC)(CCH)2	C(CCC)(N)	C(CCC)(CN)2	C(CCC)(CCH)2	C(CCC)(N)	121.9287	0.338	4	121.9287	0.114	4	122.0216	1.698	44	122.6867	3.785	197	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:3:	3:1:	C-3:C-2:C-2:	C-3:C-3:C-3:	C-3:N-1:	C(CCC)(CN)2	C(CCC)3	C(CCC)(N)	C(CCC)(CN)2	C(CCC)3	C(CCC)(N)	121.9790	1.349	32	121.9790	1.819	32	122.0216	1.698	44	122.6867	3.785	197	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:3:	3:1:	C-3:C-2:C-2:	C-3:C-3:C-3:	C-3:N-1:	C(CCC)(CN)2	C(CC[6a]C)(CCC)2	C(CCC)(N)	C(CCC)(CN)2	C(CC[6a]C)(CCC)2	C(CCC)(N)	122.0083	1.553	6	122.0083	2.412	6	122.0216	1.698	44	122.6867	3.785	197	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:3:	3:1:	C-3:C-2:C-2:	C-3:C-3:C-3:	C-3:N-1:	C(CCC)(CN)2	C(CC[6a]C)(CC[5]C)(CCC)	C(CCC)(N)	C(CCC)(CN)2	C(CC[6a]C)(CC[5]C)(CCC)	C(CCC)(N)	122.9290	1.574	2	122.9290	2.478	2	122.0216	1.698	44	122.6867	3.785	197	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:3:	3:1:	C-3:C-2:C-2:	C-3:C-3:N-3:	C-3:N-1:	C(CCN)(CN)2	C(CCC)2(NHH)	C(CCC)(N)	C(CCN)(CN)2	C(CCC)2(NHH)	C(CCC)(N)	121.9420	0.796	2	121.9420	0.634	2	122.6230	1.326	6	122.6867	3.785	197	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:3:	3:1:	C-3:C-2:C-2:	C-3:C-3:N-3:	C-3:N-1:	C(CCN)(CN)2	C(CC[6a]C)(CCC)(NCS)	C(CCC)(N)	C(CCN)(CN)2	C(CC[6a]C)(CCC)(NCS)	C(CCC)(N)	122.9635	1.239	4	122.9635	1.535	4	122.6230	1.326	6	122.6867	3.785	197	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:3:	3:1:	C-3:C-2:C-2:	C-3:N-3:N-3:	C-3:N-1:	C(CNN)(CN)2	C(CCC)(NHH)2	C(CCC)(N)	C(CNN)(CN)2	C(CCC)(NHH)2	C(CCC)(N)	120.7540	1.673	2	120.7540	2.799	2	120.7540	2.799	2	122.6867	3.785	197	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:3:	3:1:	C-3:C-2:C-2:	C-3:S-3:C-3:	C-3:N-1:	C(CCS)(CN)2	C(CC[6a]C)(SRuC)(CCC)	C(CCC)(N)	C(CCS)(CN)2	C(CC[6a]C)(SRuC)(CCC)	C(CCC)(N)	123.0635	2.863	4	123.0635	8.197	4	123.0635	8.197	4	122.6867	3.785	197	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:3:	3:1:	C-3:C-2:C-2:	C[5]-3:C[5]-3:C-3:	C-3:N-1:	C(CC[5]2)(CN)2	C(C[5]C[5]N[5])2(CCC)	C(CCC)(N)	C(CC[5]2)(CN)2	C(C[5]C[5]N[5])2(CCC)	C(CCC)(N)	124.6735	1.161	4	124.6735	1.348	4	124.6735	1.348	4	122.6867	3.785	197	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:3:	3:1:	C-3:C-2:C-2:	C[5a]-3:C[5a]-3:C-3:	C-3:N-1:	C(CC[5a]2)(CN)2	C(C[5a]C[5a]N[5a])2(CCC)	C(CCC)(N)	C(CC[5a]2)(CN)2	C(C[5a]C[5a]N[5a])2(CCC)	C(CCC)(N)	124.3210	0.875	2	124.3210	0.766	2	124.3210	0.766	2	122.6867	3.785	197	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:3:	3:1:	C-3:C-2:C-2:	C[6]-3:C-3:C-3:	C-3:N-1:	C(CC[6]C)(CN)2	C(C[6]C[5a,6]2)(CC[5]C)(CCC)	C(CCC)(N)	C(CC[6]C)(CN)2	C(C[6]C[5a,6]2)(CC[5]C)(CCC)	C(CCC)(N)	123.4395	1.189	2	123.4395	1.413	2	123.5087	17.171	4	122.6867	3.785	197	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:3:	3:1:	C-3:C-2:C-2:	C[6]-3:C-3:C-3:	C-3:N-1:	C(CC[6]C)(CN)2	C(C[6]C[6]2)(CC[5]C)(CCC)	C(CCC)(N)	C(CC[6]C)(CN)2	C(C[6]C[6]2)(CC[5]C)(CCC)	C(CCC)(N)	123.5780	7.077	2	123.5780	50.080	2	123.5087	17.171	4	122.6867	3.785	197	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:3:	3:1:	C-3:C-2:C-2:	C[6a]-3:C-3:C-3:	C-3:N-1:	C(CC[6a]C)(CN)2	C(C[6a]C[5a,6a]C[6a])(CC[5]C)(CCC)	C(CCC)(N)	C(CC[6a]C)(CN)2	C(C[6a]C[5a,6a]C[6a])(CC[5]C)(CCC)	C(CCC)(N)	123.7075	0.564	2	123.7075	0.318	2	122.8208	3.328	96	122.6867	3.785	197	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:3:	3:1:	C-3:C-2:C-2:	C[6a]-3:C-3:C-3:	C-3:N-1:	C(CC[6a]C)(CN)2	C(C[6a]C[6a,6a]C[6a])(CCC)(CCN)	C(CCC)(N)	C(CC[6a]C)(CN)2	C(C[6a]C[6a,6a]C[6a])(CCC)(CCN)	C(CCC)(N)	122.4223	1.064	4	122.4223	1.132	4	122.8208	3.328	96	122.6867	3.785	197	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:3:	3:1:	C-3:C-2:C-2:	C[6a]-3:C-3:C-3:	C-3:N-1:	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CB[3x6]C)(CCC)	C(CCC)(N)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CB[3x6]C)(CCC)	C(CCC)(N)	123.2360	3.224	2	123.2360	10.397	2	122.8208	3.328	96	122.6867	3.785	197	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:3:	3:1:	C-3:C-2:C-2:	C[6a]-3:C-3:C-3:	C-3:N-1:	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CCC)(CCH)	C(CCC)(N)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CCC)(CCH)	C(CCC)(N)	122.4140	1.391	30	122.4140	1.934	30	122.8208	3.328	96	122.6867	3.785	197	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:3:	3:1:	C-3:C-2:C-2:	C[6a]-3:C-3:C-3:	C-3:N-1:	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CCC)2	C(CCC)(N)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CCC)2	C(CCC)(N)	123.0293	1.307	8	123.0293	1.707	8	122.8208	3.328	96	122.6867	3.785	197	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:3:	3:1:	C-3:C-2:C-2:	C[6a]-3:C-3:C-3:	C-3:N-1:	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CC[5]C)(CCC)	C(CCC)(N)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CC[5]C)(CCC)	C(CCC)(N)	123.1565	1.170	2	123.1565	1.370	2	122.8208	3.328	96	122.6867	3.785	197	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:3:	3:1:	C-3:C-2:C-2:	C[6a]-3:C-3:C-3:	C-3:N-1:	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CC[5]H)(CCC)	C(CCC)(N)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CC[5]H)(CCC)	C(CCC)(N)	122.5530	3.295	4	122.5530	10.860	4	122.8208	3.328	96	122.6867	3.785	197	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:3:	3:1:	C-3:C-2:C-2:	C[6a]-3:C-3:C-3:	C-3:N-1:	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CC[6]H)(CCC)	C(CCC)(N)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CC[6]H)(CCC)	C(CCC)(N)	121.9140	1.534	2	121.9140	2.354	2	122.8208	3.328	96	122.6867	3.785	197	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:3:	3:1:	C-3:C-2:C-2:	C[6a]-3:C-3:C-3:	C-3:N-1:	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(CCC)(N)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CC[6a]C)(CCC)	C(CCC)(N)	123.2703	2.334	33	123.2703	5.447	33	122.8208	3.328	96	122.6867	3.785	197	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:3:	3:1:	C-3:C-2:C-2:	C[6a]-3:C-3:C-3:	C-3:N-1:	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CRuC)(CCC)	C(CCC)(N)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CRuC)(CCC)	C(CCC)(N)	122.4773	0.841	9	122.4773	0.707	9	122.8208	3.328	96	122.6867	3.785	197	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:3:	3:1:	C-3:C-2:C-2:	C[6a]-3:C-3:N-3:	C-3:N-1:	C(CC[6a]N)(CN)2	C(C[6a]C[6a]2)(CCC)(NCC)	C(CCC)(N)	C(CC[6a]N)(CN)2	C(C[6a]C[6a]2)(CCC)(NCC)	C(CCC)(N)	123.1005	4.671	4	123.1005	21.820	4	123.1005	21.820	4	122.6867	3.785	197	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:3:	3:1:	C-3:C-2:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(CC[6a]2)(CN)2	C(C[6a]C[6a]2)2(CCC)	C(CCC)(N)	C(CC[6a]2)(CN)2	C(C[6a]C[6a]2)2(CCC)	C(CCC)(N)	123.5380	0.716	15	123.5380	0.513	15	123.5380	0.513	15	122.6867	3.785	197	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:3:	3:1:	C-3:C-2:C-2:	N[5a]-3:C[6a]-3:C-3:	C-3:N-1:	C(CC[6a]N[5a])(CN)2	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCC)	C(CCC)(N)	C(CC[6a]N[5a])(CN)2	C(N[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CCC)	C(CCC)(N)	123.3522	2.861	4	123.3522	8.186	4	123.3522	8.186	4	122.6867	3.785	197	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:3:	3:1:	C-3:C-2:C-2:	N[6]-3:C-3:C-3:	C-3:N-1:	C(CN[6]C)(CN)2	C(N[6]C[6,6a]2)(CCC)2	C(CCC)(N)	C(CN[6]C)(CN)2	C(N[6]C[6,6a]2)(CCC)2	C(CCC)(N)	123.1290	5.718	2	123.1290	32.692	2	123.1290	32.692	2	122.6867	3.785	197	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:3:	3:1:	C-3:C-2:C-2:	S-3:C-3:C-3:	C-3:N-1:	C(CCS)(CN)2	C(SRuC)(CCC)2	C(CCC)(N)	C(CCS)(CN)2	C(SRuC)(CCC)2	C(CCC)(N)	124.1470	0.967	2	124.1470	0.936	2	124.1470	0.936	2	122.6867	3.785	197	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:3:	3:1:	C-3:C-2:C-2:	S-3:S-3:C-3:	C-3:N-1:	C(CSS)(CN)2	C(SCu2)2(CCC)	C(CCC)(N)	C(CSS)(CN)2	C(SCu2)2(CCC)	C(CCC)(N)	121.6783	0.645	6	121.6783	0.416	6	121.6783	0.416	6	122.6867	3.785	197	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:3:	3:1:	C-3:C-2:N-2:	N-3:C-3:N-3:	C-3:N-1:	C(CNN)(CN)(NN)	C(NMnC)(CCN)(NHH)	C(CCN)(N)	C(CNN)(CN)(NN)	C(NMnC)(CCN)(NHH)	C(CCN)(N)	117.5740	0.000	2	117.5740	0.000	2	117.5740	0.000	2	122.6867	3.785	197	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:3:	3:2:	C-3:C-2:C-2:	C-3:C-3:C-3:	C-3:N-2:	C(CCC)(CN)2	C(CCC)3	C(CCC)(NFe)	C(CCC)(CN)2	C(CCC)3	C(CCC)(NFe)	122.3097	1.886	16	122.3097	3.558	16	122.3097	3.558	16	122.3146	3.583	20	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:3:	3:2:	C-3:C-2:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(CC[6a]2)(CC)2	C(C[6a]C[6a]2)2(CCC)	C(CCC)(CH)	C(CC[6a]2)(CC)2	C(C[6a]C[6a]2)2(CCC)	C(CCC)(CH)	119.9880	0.000	1	119.9880	0.000	1	122.3342	4.902	4	122.3146	3.583	20	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:3:	3:2:	C-3:C-2:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(CC[6a]2)(CC)2	C(C[6a]C[6a]2)2(CCC)	C(CCC)(CRu)	C(CC[6a]2)(CC)2	C(C[6a]C[6a]2)2(CCC)	C(CCC)(CRu)	125.2640	0.000	1	125.2640	0.000	1	122.3342	4.902	4	122.3146	3.583	20	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:3:3:	3:2:	C-3:C-2:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(CC[6a]2)(CC)2	C(C[6a]C[6a]2)2(CCC)	C(CCC)(CSi)	C(CC[6a]2)(CC)2	C(C[6a]C[6a]2)2(CCC)	C(CCC)(CSi)	122.0425	0.668	2	122.0425	0.447	2	122.3342	4.902	4	122.3146	3.583	20	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:4:3:	2:3:	C-3:O-2:C-2:	C[6a]-3:C-4:C-3:	C-2:C-3:	C(CC[6a]C)(OC[6a])(CC)	C(C[6a]C[6a]2)(CH3)(CCO)	C(CC[6a])(CCO)	C(CC[6a]C)(OC[6a])(CC)	C(C[6a]C[6a]2)(CH3)(CCO)	C(CC[6a])(CCO)	124.0050	0.000	1	124.0050	0.000	1	124.0050	0.000	1	124.0050	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:4:3:	3:1:	C-3:C-2:C-2:	C-3:C-4:C-3:	C-3:N-1:	C(CCC)(CN)2	C(CN[6]C)(CH3)(CCC)	C(CCC)(N)	C(CCC)(CN)2	C(CN[6]C)(CH3)(CCC)	C(CCC)(N)	121.4980	0.725	2	121.4980	0.526	2	121.4980	0.526	2	123.3156	2.681	34	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:4:3:	3:1:	C-3:C-2:C-2:	C[5a]-3:C-4:C-3:	C-3:N-1:	C(CC[5a]C)(CN)2	C(C[5a]C[5a]S[5a])(CCFF)(CCC)	C(CCC)(N)	C(CC[5a]C)(CN)2	C(C[5a]C[5a]S[5a])(CCFF)(CCC)	C(CCC)(N)	124.9668	1.659	4	124.9668	2.752	4	124.5226	2.587	10	123.3156	2.681	34	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:4:3:	3:1:	C-3:C-2:C-2:	C[5a]-3:C-4:C-3:	C-3:N-1:	C(CC[5a]C)(CN)2	C(C[5a]C[5a]S[5a])(CF3)(CCC)	C(CCC)(N)	C(CC[5a]C)(CN)2	C(C[5a]C[5a]S[5a])(CF3)(CCC)	C(CCC)(N)	124.2265	1.656	6	124.2265	2.743	6	124.5226	2.587	10	123.3156	2.681	34	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:4:3:	3:1:	C-3:C-2:C-2:	C[6a]-3:C-4:C-3:	C-3:N-1:	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CC3)(CCC)	C(CCC)(N)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CC3)(CCC)	C(CCC)(N)	122.6145	3.652	2	122.6145	13.339	2	123.0566	1.921	18	123.3156	2.681	34	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:4:3:	3:1:	C-3:C-2:C-2:	C[6a]-3:C-4:C-3:	C-3:N-1:	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CCCH)(CCC)	C(CCC)(N)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CCCH)(CCC)	C(CCC)(N)	122.8940	1.133	2	122.8940	1.283	2	123.0566	1.921	18	123.3156	2.681	34	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:4:3:	3:1:	C-3:C-2:C-2:	C[6a]-3:C-4:C-3:	C-3:N-1:	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CCHH)(CCC)	C(CCC)(N)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CCHH)(CCC)	C(CCC)(N)	122.8025	0.350	2	122.8025	0.123	2	123.0566	1.921	18	123.3156	2.681	34	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:4:3:	3:1:	C-3:C-2:C-2:	C[6a]-3:C-4:C-3:	C-3:N-1:	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CC[5]HH)(CCC)	C(CCC)(N)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CC[5]HH)(CCC)	C(CCC)(N)	123.2498	0.647	4	123.2498	0.419	4	123.0566	1.921	18	123.3156	2.681	34	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:4:3:	3:1:	C-3:C-2:C-2:	C[6a]-3:C-4:C-3:	C-3:N-1:	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CH3)(CCC)	C(CCC)(N)	C(CC[6a]C)(CN)2	C(C[6a]C[6a]2)(CH3)(CCC)	C(CCC)(N)	123.1748	1.504	8	123.1748	2.261	8	123.0566	1.921	18	123.3156	2.681	34	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:4:3:	3:1:	C-3:C-2:C-2:	C[6a]-3:C[5]-4:C-3:	C-3:N-1:	C(CC[6a]C[5])(CN)2	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCC)	C(CCC)(N)	C(CC[6a]C[5])(CN)2	C(C[6a]C[6a]2)(C[5]C[5]2C)(CCC)	C(CCC)(N)	123.2505	0.182	2	123.2505	0.033	2	123.2505	0.033	2	123.3156	2.681	34	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:4:3:	3:1:	C-3:O-2:C-2:	C[6a]-3:C-4:C-3:	C-3:N-1:	C(CC[6a]C)(OC[6a])(CN)	C(C[6a]C[6a]2)(CH3)(CCO)	C(CCO)(N)	C(CC[6a]C)(OC[6a])(CN)	C(C[6a]C[6a]2)(CH3)(CCO)	C(CCO)(N)	122.7030	0.000	1	122.7030	0.000	1	122.7030	0.000	1	123.3156	2.681	34	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:4:3:	3:1:	C-3:S-2:C-2:	C[6a]-3:C[3]-4:C-3:	C-3:N-1:	C(CC[6a]C[3])(SC[6a])(CN)	C(C[6a]C[6a]2)(C[3]C[3]2H)(CCS)	C(CCS)(N)	C(CC[6a]C[3])(SC[6a])(CN)	C(C[6a]C[6a]2)(C[3]C[3]2H)(CCS)	C(CCS)(N)	120.2850	0.000	1	120.2850	0.000	1	120.2850	0.000	1	123.3156	2.681	34	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	3:4:3:	3:2:	C-3:O-2:C-2:	C[6a]-3:C-4:C-3:	C-3:C-2:	C(CC[6a]C)(OC[6a])(CC)	C(C[6a]C[6a,6a]C[6a])(CCHH)(CCO)	C(CCO)(CC)	C(CC[6a]C)(OC[6a])(CC)	C(C[6a]C[6a,6a]C[6a])(CCHH)(CCO)	C(CCO)(CC)	129.9550	0.000	1	129.9550	0.000	1	129.9550	0.000	1	129.9550	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	4:3:1:	2:3:	C-3:C-2:C-2:	C[5]-4:C-3:H-1:	C-2:C-3:	C(CC[5]H)(CC)2	C(C[5]C[5]2Fe)(CCC)(H)	C(CC[6a])(CCC)	C(CC[5]H)(CC)2	C(C[5]C[5]2Fe)(CCC)(H)	C(CC[6a])(CCC)	121.3310	2.885	2	121.3310	8.323	2	121.3310	8.323	2	121.3310	8.323	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	4:3:1:	3:1:	C-3:C-2:C-2:	C-4:C-3:O-1:	C-3:N-1:	C(CCO)(CN)2	C(CCHH)(CCC)(O)	C(CCC)(N)	C(CCO)(CN)2	C(CCHH)(CCC)(O)	C(CCC)(N)	120.9410	3.405	2	120.9410	11.597	2	122.0583	9.544	3	119.1119	7.454	9	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	4:3:1:	3:1:	C-3:C-2:C-2:	C-4:C-3:O-1:	C-3:N-1:	C(CCO)(CN)2	C(CH3)(CCC)(O)	C(CCC)(N)	C(CCO)(CN)2	C(CH3)(CCC)(O)	C(CCC)(N)	124.2930	0.000	1	124.2930	0.000	1	122.0583	9.544	3	119.1119	7.454	9	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	4:3:1:	3:1:	C-3:C-2:N-2:	C-4:C-3:O-1:	C-3:N-1:	C(CCO)(CN)(NN)	C(CH3)(CCN)(O)	C(CCN)(N)	C(CCO)(CN)(NN)	C(CH3)(CCN)(O)	C(CCN)(N)	117.6387	0.543	6	117.6387	0.295	6	117.6387	0.295	6	119.1119	7.454	9	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	4:3:1:	3:2:	C-3:C-2:C-2:	C-4:C-3:O-1:	C-3:N-2:	C(CCO)(CN)2	C(CH3)(CCC)(O)	C(CCC)(NMo)	C(CCO)(CN)2	C(CH3)(CCC)(O)	C(CCC)(NMo)	115.2810	0.000	1	115.2810	0.000	1	115.2810	0.000	1	115.2810	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	4:3:2:	3:1:	C-3:S-2:C-2:	C-4:C-3:S-2:	C-3:N-1:	C(CCS)(SAu)(CN)	C(CF3)(CCS)(SAu)	C(CCS)(N)	C(CCS)(SAu)(CN)	C(CF3)(CCS)(SAu)	C(CCS)(N)	121.9535	0.715	2	121.9535	0.511	2	124.2745	1.334	18	124.2745	1.334	18	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	4:3:2:	3:1:	C-3:S-2:C-2:	C-4:C-3:S-2:	C-3:N-1:	C(CCS)(SNi)(CN)	C(CF3)(CCS)(SNi)	C(CCS)(N)	C(CCS)(SNi)(CN)	C(CF3)(CCS)(SNi)	C(CCS)(N)	124.5646	0.818	16	124.5646	0.669	16	124.2745	1.334	18	124.2745	1.334	18	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	4:3:2:	3:2:	C-3:Ge-2:C-2:	Si-4:C-3:Ge-2:	C-3:C-2:	C(CGeSi)(GeN)(CC)	C(SiC3)(CGeC)(GeN)	C(CGeC)(CSi)	C(CGeSi)(GeN)(CC)	C(SiC3)(CGeC)(GeN)	C(CGeC)(CSi)	122.6870	0.000	1	122.6870	0.000	1	122.6870	0.000	1	122.6870	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	4:3:3:	3:1:	C-3:C-2:C-2:	B[3x6]-4:C-3:C-3:	C-3:N-1:	C(CB[3x6]C)(CN)2	C(B[3x6]N[5a,6,6]3)(CC[6a]C)(CCC)	C(CCC)(N)	C(CB[3x6]C)(CN)2	C(B[3x6]N[5a,6,6]3)(CC[6a]C)(CCC)	C(CCC)(N)	123.4310	1.379	2	123.4310	1.901	2	123.4310	1.901	2	122.5837	1.656	40	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	4:3:3:	3:1:	C-3:C-2:C-2:	C-4:C-3:C-3:	C-3:N-1:	C(CCC)(CN)2	C(CCHH)(CCC)(CCH)	C(CCC)(N)	C(CCC)(CN)2	C(CCHH)(CCC)(CCH)	C(CCC)(N)	122.4742	0.708	4	122.4742	0.502	4	122.2303	0.540	10	122.5837	1.656	40	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	4:3:3:	3:1:	C-3:C-2:C-2:	C-4:C-3:C-3:	C-3:N-1:	C(CCC)(CN)2	C(CH3)(CCC)(CCH)	C(CCC)(N)	C(CCC)(CN)2	C(CH3)(CCC)(CCH)	C(CCC)(N)	122.0677	0.769	6	122.0677	0.591	6	122.2303	0.540	10	122.5837	1.656	40	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	4:3:3:	3:1:	C-3:C-2:C-2:	C-4:N-3:C-3:	C-3:N-1:	C(CCN)(CN)2	C(CCHH)(NPdH)(CCC)	C(CCC)(N)	C(CCN)(CN)2	C(CCHH)(NPdH)(CCC)	C(CCC)(N)	119.8420	0.700	2	119.8420	0.490	2	119.8420	0.490	2	122.5837	1.656	40	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	4:3:3:	3:1:	C-3:C-2:C-2:	C[3]-4:C[6a]-3:C-3:	C-3:N-1:	C(CC[6a]C[3])(CN)2	C(C[3]C[3,5]C[3]C)(C[6a]C[6a]2)(CCC)	C(CCC)(N)	C(CC[6a]C[3])(CN)2	C(C[3]C[3,5]C[3]C)(C[6a]C[6a]2)(CCC)	C(CCC)(N)	122.6460	0.475	4	122.6460	0.225	4	122.5283	0.765	6	122.5837	1.656	40	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	4:3:3:	3:1:	C-3:C-2:C-2:	C[3]-4:C[6a]-3:C-3:	C-3:N-1:	C(CC[6a]C[3])(CN)2	C(C[3]C[3]N[3]C)(C[6a]C[6a]2)(CCC)	C(CCC)(N)	C(CC[6a]C[3])(CN)2	C(C[3]C[3]N[3]C)(C[6a]C[6a]2)(CCC)	C(CCC)(N)	122.2930	1.727	2	122.2930	2.982	2	122.5283	0.765	6	122.5837	1.656	40	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	4:3:3:	3:1:	C-3:C-2:C-2:	C[5]-4:C-3:C-3:	C-3:N-1:	C(CC[5]C)(CN)2	C(C[5]C[5]2Fe)(CCC)(CCH)	C(CCC)(N)	C(CC[5]C)(CN)2	C(C[5]C[5]2Fe)(CCC)(CCH)	C(CCC)(N)	123.0375	0.428	2	123.0375	0.183	2	122.9665	1.729	20	122.5837	1.656	40	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	4:3:3:	3:1:	C-3:C-2:C-2:	C[5]-4:C-3:C-3:	C-3:N-1:	C(CC[5]C)(CN)2	C(C[5]C[5]2Fe)(CCC)2	C(CCC)(N)	C(CC[5]C)(CN)2	C(C[5]C[5]2Fe)(CCC)2	C(CCC)(N)	123.0890	0.767	4	123.0890	0.589	4	122.9665	1.729	20	122.5837	1.656	40	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	4:3:3:	3:1:	C-3:C-2:C-2:	C[5]-4:C-3:C-3:	C-3:N-1:	C(CC[5]C)(CN)2	C(C[5]C[5]2Fe)(CC[5]C)(CCC)	C(CCC)(N)	C(CC[5]C)(CN)2	C(C[5]C[5]2Fe)(CC[5]C)(CCC)	C(CCC)(N)	122.6787	1.454	4	122.6787	2.113	4	122.9665	1.729	20	122.5837	1.656	40	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	4:3:3:	3:1:	C-3:C-2:C-2:	C[5]-4:C-3:C-3:	C-3:N-1:	C(CC[5]C)(CN)2	C(C[5]C[5]2Fe)(CC[6]C)(CCC)	C(CCC)(N)	C(CC[5]C)(CN)2	C(C[5]C[5]2Fe)(CC[6]C)(CCC)	C(CCC)(N)	123.3085	0.944	2	123.3085	0.891	2	122.9665	1.729	20	122.5837	1.656	40	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	4:3:3:	3:1:	C-3:C-2:C-2:	C[5]-4:C-3:C-3:	C-3:N-1:	C(CC[5]C)(CN)2	C(C[5]C[5]2Fe)(CC[6a]C)(CCC)	C(CCC)(N)	C(CC[5]C)(CN)2	C(C[5]C[5]2Fe)(CC[6a]C)(CCC)	C(CCC)(N)	123.1423	1.147	4	123.1423	1.317	4	122.9665	1.729	20	122.5837	1.656	40	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	4:3:3:	3:1:	C-3:C-2:C-2:	C[5]-4:C-3:C-3:	C-3:N-1:	C(CC[5]C)(CN)2	C(C[5]C[5]2Fe)(COsC)(CCC)	C(CCC)(N)	C(CC[5]C)(CN)2	C(C[5]C[5]2Fe)(COsC)(CCC)	C(CCC)(N)	122.8265	3.515	2	122.8265	12.355	2	122.9665	1.729	20	122.5837	1.656	40	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	4:3:3:	3:1:	C-3:C-2:C-2:	C[5]-4:C-3:C-3:	C-3:N-1:	C(CC[5]C)(CN)2	C(C[5]C[5]2Fe)(CRuC)(CCC)	C(CCC)(N)	C(CC[5]C)(CN)2	C(C[5]C[5]2Fe)(CRuC)(CCC)	C(CCC)(N)	122.6725	2.528	2	122.6725	6.390	2	122.9665	1.729	20	122.5837	1.656	40	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	4:4:3:	2:3:	C-3:C-2:C-2:	C-4:C-4:C-3:	C-2:C-3:	C(CCC)(CC)2	C(CH3)2(CCC)	C(CC[6a])(CCC)	C(CCC)(CC)2	C(CH3)2(CCC)	C(CC[6a])(CCC)	120.0860	0.907	2	120.0860	0.822	2	120.0860	0.822	2	120.0860	0.822	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	4:4:3:	3:1:	C-3:C-2:C-2:	C-4:C-4:C-3:	C-3:N-1:	C(CCC)(CN)2	C(CCHH)(CH3)(CCC)	C(CCC)(N)	C(CCC)(CN)2	C(CCHH)(CH3)(CCC)	C(CCC)(N)	122.5943	0.209	4	122.5943	0.044	4	122.5688	0.170	6	122.5688	0.170	6	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	4:4:3:	3:1:	C-3:C-2:C-2:	C-4:C-4:C-3:	C-3:N-1:	C(CCC)(CN)2	C(CCHH)2(CCC)	C(CCC)(N)	C(CCC)(CN)2	C(CCHH)2(CCC)	C(CCC)(N)	122.5180	0.843	2	122.5180	0.710	2	122.5688	0.170	6	122.5688	0.170	6	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	4:4:3:	3:2:	C-3:C-2:C-2:	C-4:C-4:C-3:	C-3:C-2:	C(CCC)(CC)2	C(CH3)2(CCC)	C(CCC)(CC)	C(CCC)(CC)2	C(CH3)2(CCC)	C(CCC)(CC)	122.9330	0.000	2	122.9330	0.000	2	122.8197	0.961	16	122.8197	0.961	16	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	4:4:3:	3:2:	C-3:C-2:C-2:	C-4:C-4:C-3:	C-3:C-2:	C(CCC)(CC)2	C(CH3)2(CCC)	C(CCC)(CCo)	C(CCC)(CC)2	C(CH3)2(CCC)	C(CCC)(CCo)	122.9078	0.990	11	122.9078	0.979	11	122.8197	0.961	16	122.8197	0.961	16	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	4:4:3:	3:2:	C-3:C-2:C-2:	C-4:C-4:C-3:	C-3:C-2:	C(CCC)(CC)2	C(CH3)2(CCC)	C(CCC)(CFe)	C(CCC)(CC)2	C(CH3)2(CCC)	C(CCC)(CFe)	123.1630	0.853	2	123.1630	0.727	2	122.8197	0.961	16	122.8197	0.961	16	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:2:2:	4:4:3:	3:2:	C-3:C-2:C-2:	C-4:C-4:C-3:	C-3:C-2:	C(CCC)(CC)2	C(CH3)2(CCC)	C(CCC)(CH)	C(CCC)(CC)2	C(CH3)2(CCC)	C(CCC)(CH)	120.9370	0.000	1	120.9370	0.000	1	122.8197	0.961	16	122.8197	0.961	16	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	2:3:1:	2:3:	C-3:C-3:C-2:	O-2:C-3:H-1:	C-2:C-3:	C(CHO)(COO)(CC)	C(OC[6a])(CCC)(H)	C(CC[6a])(CCC)	C(CHO)(COO)(CC)	C(OC[6a])(CCC)(H)	C(CC[6a])(CCC)	123.1240	0.000	1	123.1240	0.000	1	123.1240	0.000	1	123.1240	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	2:3:1:	3:1:	C-3:C-3:C-2:	N-2:C-3:H-1:	C-3:N-1:	C(CC[5a]H)(CHN)(CN)	C(NC[6a])(CCC)(H)	C(CCC)(N)	C(CC[5a]H)(CHN)(CN)	C(NC[6a])(CCC)(H)	C(CCC)(N)	116.0240	0.055	2	116.0240	0.003	2	117.0330	1.587	4	118.2671	3.269	10	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	2:3:1:	3:1:	C-3:C-3:C-2:	N-2:C-3:H-1:	C-3:N-1:	C(CHN)2(CN)	C(NC[6a])(CCC)(H)	C(CCC)(N)	C(CHN)2(CN)	C(NC[6a])(CCC)(H)	C(CCC)(N)	118.0420	0.827	2	118.0420	0.684	2	117.0330	1.587	4	118.2671	3.269	10	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	2:3:1:	3:1:	C-3:C-3:C-2:	N-2:C-3:O-1:	C-3:N-1:	C(CCO)(CNO)(CN)	C(NC[6a])(CCC)(O)	C(CCC)(N)	C(CCO)(CNO)(CN)	C(NC[6a])(CCC)(O)	C(CCC)(N)	120.7770	0.000	1	120.7770	0.000	1	119.2460	4.723	4	118.2671	3.269	10	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	2:3:1:	3:1:	C-3:C-3:C-2:	N-2:C-3:O-1:	C-3:N-1:	C(CNO)2(CN)	C(NC[6a])(CCC)(O)	C(CCC)(N)	C(CNO)2(CN)	C(NC[6a])(CCC)(O)	C(CCC)(N)	118.7357	2.350	3	118.7357	5.522	3	119.2460	4.723	4	118.2671	3.269	10	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	2:3:1:	3:1:	C-3:C-3:C-2:	N-2:C-3:S-1:	C-3:N-1:	C(CNO)(CNS)(CN)	C(NC[6a])(CCC)(S)	C(CCC)(N)	C(CNO)(CNS)(CN)	C(NC[6a])(CCC)(S)	C(CCC)(N)	118.7775	0.218	2	118.7775	0.048	2	118.7775	0.048	2	118.2671	3.269	10	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	2:3:1:	3:2:	C-3:C-3:C-2:	C-2:C-3:Br-1:	C-3:C-2:	C(CBrC)(CNO)(CC)	C(CN[6])(CCC)(Br)	C(CCC)(CC)	C(CBrC)(CNO)(CC)	C(CN[6])(CCC)(Br)	C(CCC)(CC)	110.9450	0.000	1	110.9450	0.000	1	110.9450	0.000	1	110.1680	1.207	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	2:3:1:	3:2:	C-3:C-3:C-2:	N-2:C-3:O-1:	C-3:C-2:	C(CBrC)(CNO)(CC)	C(NC[6])(CCC)(O)	C(CCC)(CC)	C(CBrC)(CNO)(CC)	C(NC[6])(CCC)(O)	C(CCC)(CC)	109.3910	0.000	1	109.3910	0.000	1	109.3910	0.000	1	110.1680	1.207	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	2:3:3:	3:1:	C-3:C-3:C-2:	S-2:C-3:C-3:	C-3:N-1:	C(CCS)(COO)(CN)	C(SC[6a])(CCC)(COO)	C(CCC)(N)	C(CCS)(COO)(CN)	C(SC[6a])(CCC)(COO)	C(CCC)(N)	119.2530	0.000	1	119.2530	0.000	1	119.2530	0.000	1	119.2530	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	2:4:3:	3:1:	C-3:C-3:C-2:	N-2:C-4:C-3:	C-3:N-1:	C(CCN)2(CN)	C(NC[6a])(CH3)(CCC)	C(CCC)(N)	C(CCN)2(CN)	C(NC[6a])(CH3)(CCC)	C(CCC)(N)	117.7327	0.385	6	117.7327	0.148	6	117.7327	0.148	6	117.7327	0.148	6	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	2:4:3:	3:2:	C-3:C-3:C-2:	N-2:C-4:C-3:	C-3:N-2:	C(CCN)2(CN)	C(NC[6a])(CH3)(CCC)	C(CCC)(NB)	C(CCN)2(CN)	C(NC[6a])(CH3)(CCC)	C(CCC)(NB)	118.3680	0.000	1	118.3680	0.000	1	118.3680	0.000	1	118.3680	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:1:1:	3:1:	C-3:C-3:C-2:	C-3:H-1:O-1:	C-3:N-1:	C(CCN)(CHO)(CN)	C(CCC)(H)(O)	C(CCC)(N)	C(CCN)(CHO)(CN)	C(CCC)(H)(O)	C(CCC)(N)	117.0750	0.772	2	117.0750	0.596	2	116.4773	1.370	3	116.1773	2.600	12	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:1:1:	3:1:	C-3:C-3:C-2:	C-3:H-1:O-1:	C-3:N-1:	C(CC[6a]H)(CHO)(CN)	C(CCC)(H)(O)	C(CCC)(N)	C(CC[6a]H)(CHO)(CN)	C(CCC)(H)(O)	C(CCC)(N)	115.2820	0.000	1	115.2820	0.000	1	116.4773	1.370	3	116.1773	2.600	12	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:1:1:	3:1:	C-3:C-3:C-2:	C-3:O-1:O-1:	C-3:N-1:	C(CC[5a]H)(COO)(CN)	C(CCC)(O)2	C(CCC)(N)	C(CC[5a]H)(COO)(CN)	C(CCC)(O)2	C(CCC)(N)	116.3570	0.000	1	116.3570	0.000	1	115.8757	3.279	7	116.1773	2.600	12	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:1:1:	3:1:	C-3:C-3:C-2:	C-3:O-1:O-1:	C-3:N-1:	C(CC[6a]H)(COO)(CN)	C(CCC)(O)2	C(CCC)(N)	C(CC[6a]H)(COO)(CN)	C(CCC)(O)2	C(CCC)(N)	115.0884	1.050	5	115.0884	1.102	5	115.8757	3.279	7	116.1773	2.600	12	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:1:1:	3:1:	C-3:C-3:C-2:	C-3:O-1:O-1:	C-3:N-1:	C(COO)2(CN)	C(CCC)(O)2	C(CCC)(N)	C(COO)2(CN)	C(CCC)(O)2	C(CCC)(N)	119.3310	0.000	1	119.3310	0.000	1	115.8757	3.279	7	116.1773	2.600	12	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:1:1:	3:1:	C[5]-3:C-3:C-2:	C-3:H-1:O-1:	C-3:N-1:	C(C[5]C[5]N[5])(CHO)(CN)	C(CC[5]C)(H)(O)	C(CC[5]C)(N)	C(C[5]C[5]N[5])(CHO)(CN)	C(CC[5]C)(H)(O)	C(CC[5]C)(N)	118.2900	0.000	1	118.2900	0.000	1	118.2900	0.000	1	116.1773	2.600	12	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:1:1:	3:1:	C[6a]-3:C-3:C-2:	C-3:H-1:O-1:	C-3:N-1:	C(C[6a]C[6a]2)(CHO)(CN)	C(CC[6a]C)(H)(O)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CHO)(CN)	C(CC[6a]C)(H)(O)	C(CC[6a]C)(N)	115.2750	0.000	1	115.2750	0.000	1	115.2750	0.000	1	116.1773	2.600	12	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:1:1:	3:2:	C[6]-3:C-3:C-2:	C-3:H-1:H-1:	C-3:C-2:	C(C[6]C[6]2)(CHH)(CC)	C(CC[6]C)(H)2	C(CC[6]C)(CC)	C(C[6]C[6]2)(CHH)(CC)	C(CC[6]C)(H)2	C(CC[6]C)(CC)	122.2590	0.000	1	122.2590	0.000	1	122.2590	0.000	1	120.8133	5.698	6	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:1:1:	3:2:	C[6a]-3:C-3:C-2:	C-3:Br-1:Br-1:	C-3:C-2:	C(C[6a]C[6a]2)(CBr2)(CC)	C(CC[6a]C)(Br)2	C(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CBr2)(CC)	C(CC[6a]C)(Br)2	C(CC[6a]C)(CC)	120.2490	0.000	1	120.2490	0.000	1	119.6055	0.828	2	120.8133	5.698	6	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:1:1:	3:2:	C[6a]-3:C-3:C-2:	C-3:Br-1:Br-1:	C-3:C-2:	C(C[6a]C[6a]2)(CBr2)(CC)	C(CC[6a]C)(Br)2	C(CC[6a]C)(CC[6a])	C(C[6a]C[6a]2)(CBr2)(CC)	C(CC[6a]C)(Br)2	C(CC[6a]C)(CC[6a])	118.9620	0.000	1	118.9620	0.000	1	119.6055	0.828	2	120.8133	5.698	6	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:1:1:	3:2:	C[6a]-3:C-3:C-2:	C-3:H-1:H-1:	C-3:C-2:	C(C[6a]C[6a]2)(CHH)(CC)	C(CC[6a]C)(H)2	C(CC[6a]C)(CC[6a])	C(C[6a]C[6a]2)(CHH)(CC)	C(CC[6a]C)(H)2	C(CC[6a]C)(CC[6a])	117.2960	0.000	1	117.2960	0.000	1	117.2960	0.000	1	120.8133	5.698	6	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:1:1:	3:2:	N-3:C-3:C-2:	C-3:H-1:H-1:	C-3:C-2:	C(NC[6a]C)(CHH)(CC)	C(CCN)(H)2	C(CCN)(CN)	C(NC[6a]C)(CHH)(CC)	C(CCN)(H)2	C(CCN)(CN)	122.7300	0.000	1	122.7300	0.000	1	122.7300	0.000	1	120.8133	5.698	6	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:1:1:	3:2:	N[6]-3:C-3:C-2:	C-3:Cl-1:Cl-1:	C-3:C-2:	C(N[6]C[6,6a]2)(CCl2)(CC)	C(CN[6]C)(Cl)2	C(CN[6]C)(CSi)	C(N[6]C[6,6a]2)(CCl2)(CC)	C(CN[6]C)(Cl)2	C(CN[6]C)(CSi)	123.3840	0.000	1	123.3840	0.000	1	123.3840	0.000	1	120.8133	5.698	6	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	2:3:	C-3:C-3:C-2:	C-3:C-2:H-1:	C-2:C-3:	C(CCH)(CNO)(CC)	C(CCC)(CC)(H)	C(CC[6a])(CCC)	C(CCH)(CNO)(CC)	C(CCC)(CC)(H)	C(CC[6a])(CCC)	121.7950	0.000	1	121.7950	0.000	1	121.7950	0.000	1	120.9265	1.509	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	2:3:	C-3:C-3:C-2:	C-3:O-2:O-1:	C-2:C-3:	C(CHO)(COO)(CC)	C(CCC)(OC)(O)	C(CC[6a])(CCC)	C(CHO)(COO)(CC)	C(CCC)(OC)(O)	C(CC[6a])(CCC)	120.0580	0.000	1	120.0580	0.000	1	120.0580	0.000	1	120.9265	1.509	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:1:	C-3:C-3:C-2:	C-3:C-2:H-1:	C-3:N-1:	C(CCC)(CCH)(CN)	C(CCC)(CRu)(H)	C(CCC)(N)	C(CCC)(CCH)(CN)	C(CCC)(CRu)(H)	C(CCC)(N)	117.7420	0.000	1	117.7420	0.000	1	119.7817	3.802	3	116.8144	4.773	122	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:1:	C-3:C-3:C-2:	C-3:C-2:H-1:	C-3:N-1:	C(CCH)(CNO)(CN)	C(CCC)(CC)(H)	C(CCC)(N)	C(CCH)(CNO)(CN)	C(CCC)(CC)(H)	C(CCC)(N)	120.8015	1.167	2	120.8015	1.363	2	119.7817	3.802	3	116.8144	4.773	122	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:1:	C-3:C-3:C-2:	C-3:N-2:H-1:	C-3:N-1:	C(CCN)(CHN)(CN)	C(CCC)(NN)(H)	C(CCC)(N)	C(CCN)(CHN)(CN)	C(CCC)(NN)(H)	C(CCC)(N)	116.0360	0.000	1	116.0360	0.000	1	116.0360	0.000	1	116.8144	4.773	122	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:1:	C-3:C-3:C-2:	C-3:O-2:O-1:	C-3:N-1:	C(CCC)(COO)(CN)	C(CCC)(OC)(O)	C(CCC)(N)	C(CCC)(COO)(CN)	C(CCC)(OC)(O)	C(CCC)(N)	115.5150	0.000	1	115.5150	0.000	1	116.8898	4.659	85	116.8144	4.773	122	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:1:	C-3:C-3:C-2:	C-3:O-2:O-1:	C-3:N-1:	C(CCS)(COO)(CN)	C(CCC)(OC)(O)	C(CCC)(N)	C(CCS)(COO)(CN)	C(CCC)(OC)(O)	C(CCC)(N)	118.1340	0.000	1	118.1340	0.000	1	116.8898	4.659	85	116.8144	4.773	122	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:1:	C-3:C-3:C-2:	C-3:O-2:O-1:	C-3:N-1:	C(CC[5]H)(COO)(CN)	C(CCC)(OC)(O)	C(CCC)(N)	C(CC[5]H)(COO)(CN)	C(CCC)(OC)(O)	C(CCC)(N)	118.3040	0.000	1	118.3040	0.000	1	116.8898	4.659	85	116.8144	4.773	122	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:1:	C-3:C-3:C-2:	C-3:O-2:O-1:	C-3:N-1:	C(CC[5a]H)(COO)(CN)	C(CCC)(OC)(O)	C(CCC)(N)	C(CC[5a]H)(COO)(CN)	C(CCC)(OC)(O)	C(CCC)(N)	118.0965	1.248	11	118.0965	1.557	11	116.8898	4.659	85	116.8144	4.773	122	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:1:	C-3:C-3:C-2:	C-3:O-2:O-1:	C-3:N-1:	C(CC[5a]H)(COO)(CN)	C(CCC)(OH)(O)	C(CCC)(N)	C(CC[5a]H)(COO)(CN)	C(CCC)(OH)(O)	C(CCC)(N)	113.6250	0.718	2	113.6250	0.516	2	116.8898	4.659	85	116.8144	4.773	122	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:1:	C-3:C-3:C-2:	C-3:O-2:O-1:	C-3:N-1:	C(CC[6]H)(COO)(CN)	C(CCC)(OC)(O)	C(CCC)(N)	C(CC[6]H)(COO)(CN)	C(CCC)(OC)(O)	C(CCC)(N)	117.7320	0.000	1	117.7320	0.000	1	116.8898	4.659	85	116.8144	4.773	122	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:1:	C-3:C-3:C-2:	C-3:O-2:O-1:	C-3:N-1:	C(CC[6a]C[5])(COO)(CN)	C(CCC)(OC)(O)	C(CCC)(N)	C(CC[6a]C[5])(COO)(CN)	C(CCC)(OC)(O)	C(CCC)(N)	115.6210	0.000	1	115.6210	0.000	1	116.8898	4.659	85	116.8144	4.773	122	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:1:	C-3:C-3:C-2:	C-3:O-2:O-1:	C-3:N-1:	C(CC[6a]H)(COO)(CN)	C(CCC)(OC)(O)	C(CCC)(N)	C(CC[6a]H)(COO)(CN)	C(CCC)(OC)(O)	C(CCC)(N)	116.4563	1.930	36	116.4563	3.725	36	116.8898	4.659	85	116.8144	4.773	122	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:1:	C-3:C-3:C-2:	C-3:O-2:O-1:	C-3:N-1:	C(CC[6a]H)(COO)(CN)	C(CCC)(OH)(O)	C(CCC)(N)	C(CC[6a]H)(COO)(CN)	C(CCC)(OH)(O)	C(CCC)(N)	115.0094	0.617	8	115.0094	0.381	8	116.8898	4.659	85	116.8144	4.773	122	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:1:	C-3:C-3:C-2:	C-3:O-2:O-1:	C-3:N-1:	C(CC[6a]N)(COO)(CN)	C(CCC)(OC)(O)	C(CCC)(N)	C(CC[6a]N)(COO)(CN)	C(CCC)(OC)(O)	C(CCC)(N)	116.9260	0.064	2	116.9260	0.004	2	116.8898	4.659	85	116.8144	4.773	122	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:1:	C-3:C-3:C-2:	C-3:O-2:O-1:	C-3:N-1:	C(CHN)(COO)(CN)	C(CCC)(OC)(O)	C(CCC)(N)	C(CHN)(COO)(CN)	C(CCC)(OC)(O)	C(CCC)(N)	119.5959	1.035	13	119.5959	1.071	13	116.8898	4.659	85	116.8144	4.773	122	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:1:	C-3:C-3:C-2:	C-3:O-2:O-1:	C-3:N-1:	C(CNS)(COO)(CN)	C(CCC)(OC)(O)	C(CCC)(N)	C(CNS)(COO)(CN)	C(CCC)(OC)(O)	C(CCC)(N)	117.7870	0.000	1	117.7870	0.000	1	116.8898	4.659	85	116.8144	4.773	122	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:1:	C-3:C-3:C-2:	C-3:O-2:O-1:	C-3:N-1:	C(CN[6]C)(COO)(CN)	C(CCC)(OC)(O)	C(CCC)(N)	C(CN[6]C)(COO)(CN)	C(CCC)(OC)(O)	C(CCC)(N)	114.0080	1.571	4	114.0080	2.467	4	116.8898	4.659	85	116.8144	4.773	122	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:1:	C-3:C-3:C-2:	C-3:O-2:O-1:	C-3:N-1:	C(COO)(CSS)(CN)	C(CCC)(OC)(O)	C(CCC)(N)	C(COO)(CSS)(CN)	C(CCC)(OC)(O)	C(CCC)(N)	116.8630	0.000	1	116.8630	0.000	1	116.8898	4.659	85	116.8144	4.773	122	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:1:	C-3:C-3:C-2:	C-3:O-2:O-1:	C-3:N-1:	C(COO)2(CN)	C(CCC)(OH)(O)	C(CCC)(N)	C(COO)2(CN)	C(CCC)(OH)(O)	C(CCC)(N)	118.5060	0.000	1	118.5060	0.000	1	116.8898	4.659	85	116.8144	4.773	122	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:1:	C-3:C-3:C-2:	C-3:O-2:O-1:	C-3:N-1:	C(CRuC)(COO)(CN)	C(CCC)(OC)(O)	C(CCC)(N)	C(CRuC)(COO)(CN)	C(CCC)(OC)(O)	C(CCC)(N)	113.7270	0.000	1	113.7270	0.000	1	116.8898	4.659	85	116.8144	4.773	122	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:1:	C-3:C-3:C-2:	C-3:S-2:H-1:	C-3:N-1:	C(CCH)(CHS)(CN)	C(CCC)(SPt)(H)	C(CCC)(N)	C(CCH)(CHS)(CN)	C(CCC)(SPt)(H)	C(CCC)(N)	116.9710	0.000	1	116.9710	0.000	1	116.9710	0.000	1	116.8144	4.773	122	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:1:	C-3:C-3:C-2:	C-3:S-2:S-1:	C-3:N-1:	C(CCN)(CSS)(CN)	C(CCC)(SC)(S)	C(CCC)(N)	C(CCN)(CSS)(CN)	C(CCC)(SC)(S)	C(CCC)(N)	117.0900	0.000	1	117.0900	0.000	1	117.0900	0.000	1	116.8144	4.773	122	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:1:	C[5]-3:C-3:C-2:	C-3:O-2:O-1:	C-3:N-1:	C(C[5]C[5,6a]2)(COO)(CN)	C(CC[5]C)(OC)(O)	C(CC[5]C)(N)	C(C[5]C[5,6a]2)(COO)(CN)	C(CC[5]C)(OC)(O)	C(CC[5]C)(N)	113.7080	2.080	2	113.7080	4.328	2	116.9274	9.294	7	116.8144	4.773	122	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:1:	C[5]-3:C-3:C-2:	C-3:O-2:O-1:	C-3:N-1:	C(C[5]C[5]N[5])(COO)(CN)	C(CC[5]C)(OC)(O)	C(CC[5]C)(N)	C(C[5]C[5]N[5])(COO)(CN)	C(CC[5]C)(OC)(O)	C(CC[5]C)(N)	120.2150	0.000	1	120.2150	0.000	1	116.9274	9.294	7	116.8144	4.773	122	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:1:	C[5]-3:C-3:C-2:	C-3:O-2:O-1:	C-3:N-1:	C(C[5]N[5]2)(COO)(CN)	C(CC[5]C)(OC)(O)	C(CC[5]C)(N)	C(C[5]N[5]2)(COO)(CN)	C(CC[5]C)(OC)(O)	C(CC[5]C)(N)	115.9010	0.000	1	115.9010	0.000	1	116.9274	9.294	7	116.8144	4.773	122	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:1:	C[5]-3:C-3:C-2:	C-3:O-2:O-1:	C-3:N-1:	C(C[5]N[5]S[5])(COO)(CN)	C(CC[5]C)(OC)(O)	C(CC[5]C)(N)	C(C[5]N[5]S[5])(COO)(CN)	C(CC[5]C)(OC)(O)	C(CC[5]C)(N)	118.3200	2.552	3	118.3200	6.513	3	116.9274	9.294	7	116.8144	4.773	122	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:1:	C[5a]-3:C-3:C-2:	C-3:O-2:O-1:	C-3:N-1:	C(C[5a]C[5a,6a]2)(COO)(CN)	C(CC[5a]C)(OC)(O)	C(CC[5a]C)(N)	C(C[5a]C[5a,6a]2)(COO)(CN)	C(CC[5a]C)(OC)(O)	C(CC[5a]C)(N)	113.5470	0.000	1	113.5470	0.000	1	117.1805	6.092	4	116.8144	4.773	122	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:1:	C[5a]-3:C-3:C-2:	C-3:O-2:O-1:	C-3:N-1:	C(C[5a]C[5a,6a]N[5a])(COO)(CN)	C(CC[5a]C)(OC)(O)	C(CC[5a]C)(N)	C(C[5a]C[5a,6a]N[5a])(COO)(CN)	C(CC[5a]C)(OC)(O)	C(CC[5a]C)(N)	118.1265	0.500	2	118.1265	0.250	2	117.1805	6.092	4	116.8144	4.773	122	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:1:	C[5a]-3:C-3:C-2:	C-3:O-2:O-1:	C-3:N-1:	C(C[5a]C[5a]S[5a])(COO)(CN)	C(CC[5a]C)(OC)(O)	C(CC[5a]C)(N)	C(C[5a]C[5a]S[5a])(COO)(CN)	C(CC[5a]C)(OC)(O)	C(CC[5a]C)(N)	118.9220	0.000	1	118.9220	0.000	1	117.1805	6.092	4	116.8144	4.773	122	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:1:	C[6]-3:C-3:C-2:	C-3:O-2:O-1:	C-3:N-1:	C(C[6]C[4,6]C[6])(COO)(CN)	C(CC[6]C)(OC)(O)	C(CC[6]C)(N)	C(C[6]C[4,6]C[6])(COO)(CN)	C(CC[6]C)(OC)(O)	C(CC[6]C)(N)	115.9390	1.385	2	115.9390	1.917	2	115.9532	3.232	20	116.8144	4.773	122	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:1:	C[6]-3:C-3:C-2:	C-3:O-2:O-1:	C-3:N-1:	C(C[6]C[6,6a]2)(COO)(CN)	C(CC[6]C)(OC)(O)	C(CC[6]C)(N)	C(C[6]C[6,6a]2)(COO)(CN)	C(CC[6]C)(OC)(O)	C(CC[6]C)(N)	112.4420	0.000	1	112.4420	0.000	1	115.9532	3.232	20	116.8144	4.773	122	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:1:	C[6]-3:C-3:C-2:	C-3:O-2:O-1:	C-3:N-1:	C(C[6]C[6]2)(COO)(CN)	C(CC[6]C)(OC)(O)	C(CC[6]C)(N)	C(C[6]C[6]2)(COO)(CN)	C(CC[6]C)(OC)(O)	C(CC[6]C)(N)	115.9663	1.721	15	115.9663	2.961	15	115.9532	3.232	20	116.8144	4.773	122	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:1:	C[6]-3:C-3:C-2:	C-3:O-2:O-1:	C-3:N-1:	C(C[6]S[6]2)(COO)(CN)	C(CC[6]C)(OC)(O)	C(CC[6]C)(N)	C(C[6]S[6]2)(COO)(CN)	C(CC[6]C)(OC)(O)	C(CC[6]C)(N)	117.6240	0.348	2	117.6240	0.121	2	115.9532	3.232	20	116.8144	4.773	122	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:2:	C-3:C-3:C-2:	C-3:O-2:O-1:	C-3:C-2:	C(CC[6a]H)(COO)(CC)	C(CCC)(OC)(O)	C(CCC)(CH)	C(CC[6a]H)(COO)(CC)	C(CCC)(OC)(O)	C(CCC)(CH)	116.3235	0.285	2	116.3235	0.081	2	116.3235	0.081	2	117.3778	3.239	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:2:	C-3:N-3:C-2:	C-3:C-2:H-1:	C-3:C-2:	C(CCH)(NCC)(CC)	C(CCN)(CN)(H)	C(CCN)(CSi)	C(CCH)(NCC)(CC)	C(CCN)(CN)(H)	C(CCN)(CSi)	116.8210	0.000	1	116.8210	0.000	1	116.8210	0.000	1	117.3778	3.239	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:2:	N[6]-3:C-3:C-2:	C-3:C-2:H-1:	C-3:C-2:	C(N[6]C[6]2)(CCH)(CC)	C(CN[6]C)(CN)(H)	C(CN[6]C)(CC)	C(N[6]C[6]2)(CCH)(CC)	C(CN[6]C)(CN)(H)	C(CN[6]C)(CC)	120.0430	0.000	1	120.0430	0.000	1	120.0430	0.000	1	117.3778	3.239	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:3:	C-3:C-3:C-2:	C-3:O-2:O-1:	C-3:C-3:	C(COO)2(CC)	C(CCC)(OC)(O)	C(CCC)2	C(COO)2(CC)	C(CCC)(OC)(O)	C(CCC)2	120.1540	0.997	4	120.1540	0.994	4	120.1540	0.994	4	119.8957	0.944	7	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:3:	C[6a]-3:C-3:C-2:	C-3:N-2:O-1:	C-3:C-3:	C(C[6a]C[6a]2)(CNO)(CC)	C(CC[6a]C)(NS)(O)	C(CC[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CNO)(CC)	C(CC[6a]C)(NS)(O)	C(CC[6a]2)(CC[6a]C)	118.5960	0.000	1	118.5960	0.000	1	118.5960	0.000	1	119.8957	0.944	7	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:3:	C[6a]-3:C-3:C-2:	C-3:O-2:O-1:	C-3:C-3:	C(C[6a]C[6a]2)(COO)(CC)	C(CC[6a]C)(OC)(O)	C(CC[6a]C)(CHH)	C(C[6a]C[6a]2)(COO)(CC)	C(CC[6a]C)(OC)(O)	C(CC[6a]C)(CHH)	120.6160	0.000	1	120.6160	0.000	1	120.0290	0.689	2	119.8957	0.944	7	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:1:	3:3:	C[6a]-3:C-3:C-2:	C-3:O-2:O-1:	C-3:C-3:	C(C[6a]C[6a]2)(COO)(CC)	C(CC[6a]C)(OH)(O)	C(CC[6a]C)2	C(C[6a]C[6a]2)(COO)(CC)	C(CC[6a]C)(OH)(O)	C(CC[6a]C)2	119.4420	0.000	1	119.4420	0.000	1	120.0290	0.689	2	119.8957	0.944	7	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:2:	2:3:	C-3:C-3:C-2:	C-3:C-2:C-2:	C-2:C-3:	C(CC[5]C)(CCC)(CC)	C(CCC)(CN)2	C(CC[5])(CCC)	C(CC[5]C)(CCC)(CC)	C(CCC)(CN)2	C(CC[5])(CCC)	120.8000	0.000	1	120.8000	0.000	1	120.8000	0.000	1	120.8000	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:2:	3:1:	C-3:C-3:C-2:	C-3:C-2:C-2:	C-3:N-1:	C(CCC)(CCH)(CN)	C(CCC)(CN)2	C(CCC)(N)	C(CCC)(CCH)(CN)	C(CCC)(CN)2	C(CCC)(N)	118.2250	0.000	1	118.2250	0.000	1	115.6974	2.546	9	118.2462	9.367	85	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:2:	3:1:	C-3:C-3:C-2:	C-3:C-2:C-2:	C-3:N-1:	C(CCC)2(CN)	C(CCC)(CN)2	C(CCC)(N)	C(CCC)2(CN)	C(CCC)(CN)2	C(CCC)(N)	114.9313	0.552	7	114.9313	0.305	7	115.6974	2.546	9	118.2462	9.367	85	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:2:	3:1:	C-3:C-3:C-2:	C-3:C-2:C-2:	C-3:N-1:	C(CC[6a]C)(CCC)(CN)	C(CCC)(CN)2	C(CCC)(N)	C(CC[6a]C)(CCC)(CN)	C(CCC)(CN)2	C(CCC)(N)	118.5330	0.000	1	118.5330	0.000	1	115.6974	2.546	9	118.2462	9.367	85	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:2:	3:1:	C-3:C-3:C-2:	C-3:N-2:O-2:	C-3:N-1:	C(CNO)(CNS)(CN)	C(CCC)(NC)(OH)	C(CCC)(N)	C(CNO)(CNS)(CN)	C(CCC)(NC)(OH)	C(CCC)(N)	116.2620	0.000	1	116.2620	0.000	1	117.8990	5.360	2	118.2462	9.367	85	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:2:	3:1:	C-3:C-3:C-2:	C-3:N-2:O-2:	C-3:N-1:	C(CNO)2(CN)	C(CCC)(NC)(OH)	C(CCC)(N)	C(CNO)2(CN)	C(CCC)(NC)(OH)	C(CCC)(N)	119.5360	0.000	1	119.5360	0.000	1	117.8990	5.360	2	118.2462	9.367	85	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:2:	3:1:	C-3:C-3:C-2:	C-3:O-2:O-2:	C-3:N-1:	C(CHN)(COO)(CN)	C(CCC)(OCu)(OC)	C(CCC)(N)	C(CHN)(COO)(CN)	C(CCC)(OCu)(OC)	C(CCC)(N)	119.2500	1.523	2	119.2500	2.320	2	118.3768	1.825	4	118.2462	9.367	85	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:2:	3:1:	C-3:C-3:C-2:	C-3:O-2:O-2:	C-3:N-1:	C(CHN)(COO)(CN)	C(CCC)(OFe)(OC)	C(CCC)(N)	C(CHN)(COO)(CN)	C(CCC)(OFe)(OC)	C(CCC)(N)	117.5035	0.326	2	117.5035	0.106	2	118.3768	1.825	4	118.2462	9.367	85	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:2:	3:1:	C-3:N-3:C-2:	C-3:C-2:C-2:	C-3:N-1:	C(CCC)(NHH)(CN)	C(CCN)(CN)2	C(CCN)(N)	C(CCC)(NHH)(CN)	C(CCN)(CN)2	C(CCN)(N)	116.6500	0.000	1	116.6500	0.000	1	116.6500	0.000	1	118.2462	9.367	85	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:2:	3:1:	C-3:N-3:C-2:	C-3:C-2:N-2:	C-3:N-1:	C(CCN)(NCH)(CN)	C(CCN)(CN)(NC)	C(CCN)(N)	C(CCN)(NCH)(CN)	C(CCN)(CN)(NC)	C(CCN)(N)	119.8760	0.000	1	119.8760	0.000	1	119.4768	0.242	25	118.2462	9.367	85	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:2:	3:1:	C-3:N-3:C-2:	C-3:C-2:N-2:	C-3:N-1:	C(CCN)(NHH)(CN)	C(CCN)(CN)(NC)	C(CCN)(N)	C(CCN)(NHH)(CN)	C(CCN)(CN)(NC)	C(CCN)(N)	119.4602	0.495	24	119.4602	0.245	24	119.4768	0.242	25	118.2462	9.367	85	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:2:	3:1:	C[5]-3:C-3:C-2:	C-3:C-2:C-2:	C-3:N-1:	C(C[5]N[5]2)(CCC)(CN)	C(CC[5]C)(CN)2	C(CC[5]C)(N)	C(C[5]N[5]2)(CCC)(CN)	C(CC[5]C)(CN)2	C(CC[5]C)(N)	119.5165	0.333	2	119.5165	0.111	2	119.5165	0.111	2	118.2462	9.367	85	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:2:	3:1:	C[5a]-3:C-3:C-2:	C-3:C-2:C-2:	C-3:N-1:	C(C[5a]C[5a,6]C[5a])(CCC)(CN)	C(CC[5a]C)(CN)2	C(CC[5a]C)(N)	C(C[5a]C[5a,6]C[5a])(CCC)(CN)	C(CC[5a]C)(CN)2	C(CC[5a]C)(N)	114.4460	0.000	1	114.4460	0.000	1	115.1056	0.904	20	118.2462	9.367	85	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:2:	3:1:	C[5a]-3:C-3:C-2:	C-3:C-2:C-2:	C-3:N-1:	C(C[5a]C[5a,6]S[5a])(CCC)(CN)	C(CC[5a]C)(CN)2	C(CC[5a]C)(N)	C(C[5a]C[5a,6]S[5a])(CCC)(CN)	C(CC[5a]C)(CN)2	C(CC[5a]C)(N)	114.4415	0.129	2	114.4415	0.017	2	115.1056	0.904	20	118.2462	9.367	85	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:2:	3:1:	C[5a]-3:C-3:C-2:	C-3:C-2:C-2:	C-3:N-1:	C(C[5a]C[5a,6a]C[5a])(CCC)(CN)	C(CC[5a]C)(CN)2	C(CC[5a]C)(N)	C(C[5a]C[5a,6a]C[5a])(CCC)(CN)	C(CC[5a]C)(CN)2	C(CC[5a]C)(N)	113.9390	0.000	1	113.9390	0.000	1	115.1056	0.904	20	118.2462	9.367	85	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:2:	3:1:	C[5a]-3:C-3:C-2:	C-3:C-2:C-2:	C-3:N-1:	C(C[5a]C[5a]S[5a])(CCC)(CN)	C(CC[5a]C)(CN)2	C(CC[5a]C)(N)	C(C[5a]C[5a]S[5a])(CCC)(CN)	C(CC[5a]C)(CN)2	C(CC[5a]C)(N)	115.3028	0.961	16	115.3028	0.924	16	115.1056	0.904	20	118.2462	9.367	85	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:2:	3:1:	C[6]-3:C-3:C-2:	C-3:C-2:C-2:	C-3:N-1:	C(C[6]C[6]2)(CCC)(CN)	C(CC[6]C)(CN)2	C(CC[6]C)(N)	C(C[6]C[6]2)(CCC)(CN)	C(CC[6]C)(CN)2	C(CC[6]C)(N)	114.9485	1.094	2	114.9485	1.197	2	114.9485	1.197	2	118.2462	9.367	85	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:2:	3:1:	C[6a]-3:C-3:C-2:	C-3:C-2:C-2:	C-3:N-1:	C(C[6a]C[6a]2)(CCC)(CN)	C(CC[6a]C)(CN)2	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CCC)(CN)	C(CC[6a]C)(CN)2	C(CC[6a]C)(N)	114.4673	2.618	3	114.4673	6.853	3	114.4673	6.853	3	118.2462	9.367	85	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:2:	3:1:	C[6a]-3:C-3:C-2:	C-3:S-2:S-2:	C-3:N-1:	C(C[6a]C[6a]2)(CSS)(CN)	C(CC[6a]C)(SC)2	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CSS)(CN)	C(CC[6a]C)(SC)2	C(CC[6a]C)(N)	117.6670	0.000	1	117.6670	0.000	1	117.6670	0.000	1	118.2462	9.367	85	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:2:	3:1:	N-3:C-3:C-2:	C-3:N-2:C-2:	C-3:N-1:	C(NZnC)(CCN)(CN)	C(CCN)(NZn)(CN)	C(CCN)(N)	C(NZnC)(CCN)(CN)	C(CCN)(NZn)(CN)	C(CCN)(N)	122.3830	0.564	2	122.3830	0.318	2	122.3830	0.318	2	118.2462	9.367	85	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:2:	3:1:	N-3:C-3:C-2:	C-3:N-2:O-2:	C-3:N-1:	C(NCuO)(CNO)(CN)	C(CCN)(NCu)(OC)	C(CCN)(N)	C(NCuO)(CNO)(CN)	C(CCN)(NCu)(OC)	C(CCN)(N)	121.2260	0.000	1	121.2260	0.000	1	121.2260	0.000	1	118.2462	9.367	85	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:2:	3:1:	S-3:C-3:C-2:	C-3:S-2:C-2:	C-3:N-1:	C(SCo2)(CCS)(CN)	C(CCS)(SCo)(CN)	C(CCS)(N)	C(SCo2)(CCS)(CN)	C(CCS)(SCo)(CN)	C(CCS)(N)	122.5329	1.060	10	122.5329	1.125	10	122.9750	1.575	13	118.2462	9.367	85	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:2:	3:1:	S-3:C-3:C-2:	C-3:S-2:C-2:	C-3:N-1:	C(SMo2)(CCS)(CN)	C(CCS)(SMo)(CN)	C(CCS)(N)	C(SMo2)(CCS)(CN)	C(CCS)(SMo)(CN)	C(CCS)(N)	124.4487	0.395	3	124.4487	0.156	3	122.9750	1.575	13	118.2462	9.367	85	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:2:	3:2:	C-3:C-3:C-2:	C-3:C-2:C-2:	C-3:C-2:	C(CCC)2(CC)	C(CCC)(CN)2	C(CCC)(CRu)	C(CCC)2(CC)	C(CCC)(CN)2	C(CCC)(CRu)	125.5060	0.089	2	125.5060	0.008	2	124.8980	1.113	3	122.5375	23.030	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:2:	3:2:	C-3:C-3:C-2:	C-3:C-2:C-2:	C-3:C-2:	C(CC[6a]C)(CCC)(CC)	C(CCC)(CN)2	C(CCC)(CRu)	C(CC[6a]C)(CCC)(CC)	C(CCC)(CN)2	C(CCC)(CRu)	123.6820	0.000	1	123.6820	0.000	1	124.8980	1.113	3	122.5375	23.030	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:2:2:	3:2:	C[6]-3:C-3:C-2:	C-3:C-2:C-2:	C-3:N-2:	C(C[6]C[6]2)(CCC)(CN)	C(CC[6]C)(CN)2	C(CC[6]C)(NCu)	C(C[6]C[6]2)(CCC)(CN)	C(CC[6]C)(CN)2	C(CC[6]C)(NCu)	115.4560	0.000	1	115.4560	0.000	1	115.4560	0.000	1	122.5375	23.030	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	2:3:	C-3:C-3:C-2:	C-3:C-3:H-1:	C-2:C-3:	C(CCC)(CCH)(CC)	C(CCC)(CCH)(H)	C(CC[6a])(CCC)	C(CCC)(CCH)(CC)	C(CCC)(CCH)(H)	C(CC[6a])(CCC)	116.0560	0.000	1	116.0560	0.000	1	116.5877	1.274	3	121.6662	9.059	14	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	2:3:	C-3:C-3:C-2:	C-3:C-3:H-1:	C-2:C-3:	C(CCH)2(CC)	C(CC[5]H)(CCC)(H)	C(CC[5a])(CCC)	C(CCH)2(CC)	C(CC[5]H)(CCC)(H)	C(CC[5a])(CCC)	116.8535	1.457	2	116.8535	2.124	2	116.5877	1.274	3	121.6662	9.059	14	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	2:3:	C-3:C-3:C-2:	C-3:N-3:O-1:	C-2:C-3:	C(CCH)(CNO)(CC)	C(CCC)(NHS)(O)	C(CC[6a])(CCC)	C(CCH)(CNO)(CC)	C(CCC)(NHS)(O)	C(CC[6a])(CCC)	120.8030	0.000	1	120.8030	0.000	1	120.8030	0.000	1	121.6662	9.059	14	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	2:3:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-2:C-3:	C(CC[6a]C)(CC[6a]H)(CC)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a])(CCC)	C(CC[6a]C)(CC[6a]H)(CC)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a])(CCC)	123.3655	1.245	8	123.3655	1.549	8	123.3655	1.549	8	121.6662	9.059	14	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	2:3:	C-3:N-3:C-2:	C[5a]-3:C-3:H-1:	C-2:C-3:	C(CC[5a]H)(NCS)(CC)	C(C[5a]C[5a]S[5a])(CCN)(H)	C(CC[6a])(CCN)	C(CC[5a]H)(NCS)(CC)	C(C[5a]C[5a]S[5a])(CCN)(H)	C(CC[6a])(CCN)	122.9185	0.149	2	122.9185	0.022	2	122.9185	0.022	2	121.6662	9.059	14	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C-3:C-3:H-1:	C-3:N-1:	C(CCC)(CCH)(CN)	C(CCC)(CCH)(H)	C(CCC)(N)	C(CCC)(CCH)(CN)	C(CCC)(CCH)(H)	C(CCC)(N)	117.1970	0.000	1	117.1970	0.000	1	117.8176	10.547	20	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C-3:C-3:H-1:	C-3:N-1:	C(CCC)(CCH)(CN)	C(CC[5]H)(CCC)(H)	C(CCC)(N)	C(CCC)(CCH)(CN)	C(CC[5]H)(CCC)(H)	C(CCC)(N)	115.7210	0.000	1	115.7210	0.000	1	117.8176	10.547	20	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C-3:C-3:H-1:	C-3:N-1:	C(CCH)(CHS)(CN)	C(CPtH)(CCC)(H)	C(CCC)(N)	C(CCH)(CHS)(CN)	C(CPtH)(CCC)(H)	C(CCC)(N)	115.4830	0.000	1	115.4830	0.000	1	117.8176	10.547	20	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C-3:C-3:H-1:	C-3:N-1:	C(CCH)(CNO)(CN)	C(CCC)(CCH)(H)	C(CCC)(N)	C(CCH)(CNO)(CN)	C(CCC)(CCH)(H)	C(CCC)(N)	120.3470	0.000	1	120.3470	0.000	1	117.8176	10.547	20	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C-3:C-3:H-1:	C-3:N-1:	C(CCH)2(CN)	C(CCC)(CCH)(H)	C(CCC)(N)	C(CCH)2(CN)	C(CCC)(CCH)(H)	C(CCC)(N)	117.3765	1.871	4	117.3765	3.501	4	117.8176	10.547	20	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C-3:C-3:H-1:	C-3:N-1:	C(CC[5a]O)(CCH)(CN)	C(CCC)(CCH)(H)	C(CCC)(N)	C(CC[5a]O)(CCH)(CN)	C(CCC)(CCH)(H)	C(CCC)(N)	119.1580	0.000	1	119.1580	0.000	1	117.8176	10.547	20	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C-3:C-3:H-1:	C-3:N-1:	C(CC[6a]C)(CCH)(CN)	C(CCC)(CCH)(H)	C(CCC)(N)	C(CC[6a]C)(CCH)(CN)	C(CCC)(CCH)(H)	C(CCC)(N)	115.6190	0.000	1	115.6190	0.000	1	117.8176	10.547	20	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C-3:C-3:H-1:	C-3:N-1:	C(CC[6a]C)(CCH)(CN)	C(CC[6a]C)(CCC)(H)	C(CCC)(N)	C(CC[6a]C)(CCH)(CN)	C(CC[6a]C)(CCC)(H)	C(CCC)(N)	116.7040	0.000	1	116.7040	0.000	1	117.8176	10.547	20	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C-3:C-3:H-1:	C-3:N-1:	C(CC[6a]H)(CCH)(CN)	C(CCC)(CCH)(H)	C(CCC)(N)	C(CC[6a]H)(CCH)(CN)	C(CCC)(CCH)(H)	C(CCC)(N)	116.1280	0.426	2	116.1280	0.181	2	117.8176	10.547	20	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C-3:C-3:H-1:	C-3:N-1:	C(CC[6a]O)(CCH)(CN)	C(CCC)2(H)	C(CCC)(N)	C(CC[6a]O)(CCH)(CN)	C(CCC)2(H)	C(CCC)(N)	122.8158	0.883	4	122.8158	0.780	4	117.8176	10.547	20	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C-3:C-3:H-1:	C-3:N-1:	C(CPtH)(CCH)(CN)	C(CCC)(CHS)(H)	C(CCC)(N)	C(CPtH)(CCH)(CN)	C(CCC)(CHS)(H)	C(CCC)(N)	114.3660	3.218	3	114.3660	10.353	3	117.8176	10.547	20	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C-3:N-3:H-1:	C-3:N-1:	C(CC[5a]O)(CHN)(CN)	C(CCC)(NCC)(H)	C(CCC)(N)	C(CC[5a]O)(CHN)(CN)	C(CCC)(NCC)(H)	C(CCC)(N)	121.7010	0.000	1	121.7010	0.000	1	122.6631	10.851	8	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C-3:N-3:H-1:	C-3:N-1:	C(CHN)(CNO)(CN)	C(CCC)(NCC)(H)	C(CCC)(N)	C(CHN)(CNO)(CN)	C(CCC)(NCC)(H)	C(CCC)(N)	125.5583	0.361	3	125.5583	0.130	3	122.6631	10.851	8	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C-3:N-3:H-1:	C-3:N-1:	C(CHN)(COO)(CN)	C(CCC)(NCC)(H)	C(CCC)(N)	C(CHN)(COO)(CN)	C(CCC)(NCC)(H)	C(CCC)(N)	125.4900	0.000	1	125.4900	0.000	1	122.6631	10.851	8	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C-3:N-3:H-1:	C-3:N-1:	C(CHN)(COO)(CN)	C(CCC)(NCH)(H)	C(CCC)(N)	C(CHN)(COO)(CN)	C(CCC)(NCH)(H)	C(CCC)(N)	119.7270	1.583	2	119.7270	2.504	2	122.6631	10.851	8	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C-3:N-3:H-1:	C-3:N-1:	C(CHN)(COO)(CN)	C(CCC)(NHH)(H)	C(CCC)(N)	C(CHN)(COO)(CN)	C(CCC)(NHH)(H)	C(CCC)(N)	117.9850	0.000	1	117.9850	0.000	1	122.6631	10.851	8	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C-3:N-3:O-1:	C-3:N-1:	C(CCH)(CNO)(CN)	C(CCC)(NCH)(O)	C(CCC)(N)	C(CCH)(CNO)(CN)	C(CCC)(NCH)(O)	C(CCC)(N)	119.1545	0.124	2	119.1545	0.015	2	118.1114	1.485	27	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C-3:N-3:O-1:	C-3:N-1:	C(CC[5a]H)(CNO)(CN)	C(CCC)(NCH)(O)	C(CCC)(N)	C(CC[5a]H)(CNO)(CN)	C(CCC)(NCH)(O)	C(CCC)(N)	117.8910	0.071	2	117.8910	0.005	2	118.1114	1.485	27	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C-3:N-3:O-1:	C-3:N-1:	C(CC[6a]H)(CNO)(CN)	C(CCC)(NCH)(O)	C(CCC)(N)	C(CC[6a]H)(CNO)(CN)	C(CCC)(NCH)(O)	C(CCC)(N)	117.5805	0.494	2	117.5805	0.244	2	118.1114	1.485	27	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C-3:N-3:O-1:	C-3:N-1:	C(CC[6a]H)(CNO)(CN)	C(CCC)(NHH)(O)	C(CCC)(N)	C(CC[6a]H)(CNO)(CN)	C(CCC)(NHH)(O)	C(CCC)(N)	117.3246	0.514	13	117.3246	0.264	13	118.1114	1.485	27	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C-3:N-3:O-1:	C-3:N-1:	C(CNO)(CNS)(CN)	C(CCC)(NCH)(O)	C(CCC)(N)	C(CNO)(CNS)(CN)	C(CCC)(NCH)(O)	C(CCC)(N)	118.1830	0.000	1	118.1830	0.000	1	118.1114	1.485	27	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C-3:N-3:O-1:	C-3:N-1:	C(CNO)(CNS)(CN)	C(CCC)(NHH)(O)	C(CCC)(N)	C(CNO)(CNS)(CN)	C(CCC)(NHH)(O)	C(CCC)(N)	116.5910	0.000	1	116.5910	0.000	1	118.1114	1.485	27	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C-3:N-3:O-1:	C-3:N-1:	C(CNO)2(CN)	C(CCC)(NCH)(O)	C(CCC)(N)	C(CNO)2(CN)	C(CCC)(NCH)(O)	C(CCC)(N)	119.7218	0.450	4	119.7218	0.202	4	118.1114	1.485	27	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C-3:N-3:O-1:	C-3:N-1:	C(CNO)2(CN)	C(CCC)(NHH)(O)	C(CCC)(N)	C(CNO)2(CN)	C(CCC)(NHH)(O)	C(CCC)(N)	120.4370	0.410	2	120.4370	0.168	2	118.1114	1.485	27	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C-3:N-3:S-1:	C-3:N-1:	C(CC[6a]H)(CNS)(CN)	C(CCC)(NHH)(S)	C(CCC)(N)	C(CC[6a]H)(CNS)(CN)	C(CCC)(NHH)(S)	C(CCC)(N)	115.2098	0.249	5	115.2098	0.062	5	116.1209	2.466	7	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C-3:N-3:S-1:	C-3:N-1:	C(CNO)(CNS)(CN)	C(CCC)(NCH)(S)	C(CCC)(N)	C(CNO)(CNS)(CN)	C(CCC)(NCH)(S)	C(CCC)(N)	118.3985	0.139	2	118.3985	0.019	2	116.1209	2.466	7	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C[5]-3:C-3:H-1:	C-3:N-1:	C(CC[5]H)(CCC)(CN)	C(C[5]C[5]2)(CCC)(H)	C(CCC)(N)	C(CC[5]H)(CCC)(CN)	C(C[5]C[5]2)(CCC)(H)	C(CCC)(N)	115.2920	0.000	1	115.2920	0.000	1	119.3100	32.289	2	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C[5]-3:C-3:H-1:	C-3:N-1:	C(CC[5]H)(COO)(CN)	C(C[5]C[5]2)(CCC)(H)	C(CCC)(N)	C(CC[5]H)(COO)(CN)	C(C[5]C[5]2)(CCC)(H)	C(CCC)(N)	123.3280	0.000	1	123.3280	0.000	1	119.3100	32.289	2	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C[5a]-3:C-3:H-1:	C-3:N-1:	C(CC[5a]H)(CCO)(CN)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CCC)(N)	C(CC[5a]H)(CCO)(CN)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CCC)(N)	122.2310	0.000	1	122.2310	0.000	1	123.2046	0.802	19	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C[5a]-3:C-3:H-1:	C-3:N-1:	C(CC[5a]H)(CHN)(CN)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CCC)(N)	C(CC[5a]H)(CHN)(CN)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CCC)(N)	121.1590	0.000	1	121.1590	0.000	1	123.2046	0.802	19	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C[5a]-3:C-3:H-1:	C-3:N-1:	C(CC[5a]H)(CHN)(CN)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CCC)(N)	C(CC[5a]H)(CHN)(CN)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CCC)(N)	122.3780	0.000	1	122.3780	0.000	1	123.2046	0.802	19	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C[5a]-3:C-3:H-1:	C-3:N-1:	C(CC[5a]H)(CNO)(CN)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CCC)(N)	C(CC[5a]H)(CNO)(CN)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CCC)(N)	123.6185	0.317	2	123.6185	0.101	2	123.2046	0.802	19	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C[5a]-3:C-3:H-1:	C-3:N-1:	C(CC[5a]H)(COO)(CN)	C(C[5a]C[5a,6a]C[5a])(CCC)(H)	C(CCC)(N)	C(CC[5a]H)(COO)(CN)	C(C[5a]C[5a,6a]C[5a])(CCC)(H)	C(CCC)(N)	122.0950	0.000	1	122.0950	0.000	1	123.2046	0.802	19	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C[5a]-3:C-3:H-1:	C-3:N-1:	C(CC[5a]H)(COO)(CN)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CCC)(N)	C(CC[5a]H)(COO)(CN)	C(C[5a]C[5a]N[5a])(CCC)(H)	C(CCC)(N)	123.0850	0.793	2	123.0850	0.629	2	123.2046	0.802	19	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C[5a]-3:C-3:H-1:	C-3:N-1:	C(CC[5a]H)(COO)(CN)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CCC)(N)	C(CC[5a]H)(COO)(CN)	C(C[5a]C[5a]O[5a])(CCC)(H)	C(CCC)(N)	123.4700	0.606	5	123.4700	0.368	5	123.2046	0.802	19	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C[5a]-3:C-3:H-1:	C-3:N-1:	C(CC[5a]H)(COO)(CN)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CCC)(N)	C(CC[5a]H)(COO)(CN)	C(C[5a]C[5a]S[5a])(CCC)(H)	C(CCC)(N)	123.6018	0.802	5	123.6018	0.644	5	123.2046	0.802	19	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C[5a]-3:C-3:H-1:	C-3:N-1:	C(CC[5a]H)(COO)(CN)	C(C[5a]N[5a]2)(CCC)(H)	C(CCC)(N)	C(CC[5a]H)(COO)(CN)	C(C[5a]N[5a]2)(CCC)(H)	C(CCC)(N)	124.2580	0.000	1	124.2580	0.000	1	123.2046	0.802	19	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C[5a]-3:C-3:O-1:	C-3:N-1:	C(CC[5a]O)(CCH)(CN)	C(C[5a]C[5a]O[5a])(CCC)(O)	C(CCC)(N)	C(CC[5a]O)(CCH)(CN)	C(C[5a]C[5a]O[5a])(CCC)(O)	C(CCC)(N)	122.5070	0.000	1	122.5070	0.000	1	120.9957	1.940	3	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C[5a]-3:C-3:O-1:	C-3:N-1:	C(CC[5a]O)(CC[6a]H)(CN)	C(C[5a]C[5a,6a]C[5a])(CCC)(O)	C(CCC)(N)	C(CC[5a]O)(CC[6a]H)(CN)	C(C[5a]C[5a,6a]C[5a])(CCC)(O)	C(CCC)(N)	119.7640	0.000	1	119.7640	0.000	1	120.9957	1.940	3	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C[5a]-3:C-3:O-1:	C-3:N-1:	C(CC[5a]O)(CHN)(CN)	C(C[5a]C[5a,6a]C[5a])(CCC)(O)	C(CCC)(N)	C(CC[5a]O)(CHN)(CN)	C(C[5a]C[5a,6a]C[5a])(CCC)(O)	C(CCC)(N)	120.7160	0.000	1	120.7160	0.000	1	120.9957	1.940	3	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C[6]-3:C-3:H-1:	C-3:N-1:	C(CC[6]H)(COO)(CN)	C(C[6]C[6]2)(CCC)(H)	C(CCC)(N)	C(CC[6]H)(COO)(CN)	C(C[6]C[6]2)(CCC)(H)	C(CCC)(N)	124.4440	0.000	1	124.4440	0.000	1	124.4440	0.000	1	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(CC[5a]O)(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(N)	C(CC[5a]O)(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(N)	123.1240	0.000	1	123.1240	0.000	1	123.8887	1.638	77	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(CC[6a]H)(CCH)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(N)	C(CC[6a]H)(CCH)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(N)	122.7580	0.577	2	122.7580	0.333	2	123.8887	1.638	77	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(CC[6a]H)(CC[6a]O)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(N)	C(CC[6a]H)(CC[6a]O)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(N)	121.8510	0.000	1	121.8510	0.000	1	123.8887	1.638	77	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(CC[6a]H)(CHO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(N)	C(CC[6a]H)(CHO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(N)	125.3090	0.000	1	125.3090	0.000	1	123.8887	1.638	77	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(CC[6a]H)(CNO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(N)	C(CC[6a]H)(CNO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(N)	123.8551	0.681	18	123.8551	0.464	18	123.8887	1.638	77	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(CC[6a]H)(CNS)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(N)	C(CC[6a]H)(CNS)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(N)	121.9704	0.832	5	121.9704	0.692	5	123.8887	1.638	77	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(CC[6a]H)(COO)(CN)	C(C[6a]C[6a,6a]C[6,6a])(CCC)(H)	C(CCC)(N)	C(CC[6a]H)(COO)(CN)	C(C[6a]C[6a,6a]C[6,6a])(CCC)(H)	C(CCC)(N)	123.9830	0.000	1	123.9830	0.000	1	123.8887	1.638	77	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(CC[6a]H)(COO)(CN)	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(CCC)(N)	C(CC[6a]H)(COO)(CN)	C(C[6a]C[6a,6a]C[6a])(CCC)(H)	C(CCC)(N)	121.8420	0.881	7	121.8420	0.776	7	123.8887	1.638	77	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(CC[6a]H)(COO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(N)	C(CC[6a]H)(COO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(N)	124.5734	0.902	41	124.5734	0.814	41	123.8887	1.638	77	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C[6a]-3:C-3:O-1:	C-3:N-1:	C(CC[6a]H)(CC[6a]O)(CN)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(N)	C(CC[6a]H)(CC[6a]O)(CN)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(N)	114.6950	0.000	1	114.6950	0.000	1	116.3633	5.983	6	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C[6a]-3:C-3:O-1:	C-3:N-1:	C(CC[6a]O)(CCH)(CN)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(N)	C(CC[6a]O)(CCH)(CN)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(N)	116.1748	2.653	4	116.1748	7.040	4	116.3633	5.983	6	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	C[6a]-3:C-3:O-1:	C-3:N-1:	C(CC[6a]O)(CNS)(CN)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(N)	C(CC[6a]O)(CNS)(CN)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(N)	118.7860	0.000	1	118.7860	0.000	1	116.3633	5.983	6	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	N-3:C-3:H-1:	C-3:N-1:	C(CCO)(CHN)(CN)	C(NC[6a]H)(CCC)(H)	C(CCC)(N)	C(CCO)(CHN)(CN)	C(NC[6a]H)(CCC)(H)	C(CCC)(N)	117.1060	0.000	1	117.1060	0.000	1	118.1751	2.075	20	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	N-3:C-3:H-1:	C-3:N-1:	C(CHN)(COO)(CN)	C(NC[6a]Fe)(CCC)(H)	C(CCC)(N)	C(CHN)(COO)(CN)	C(NC[6a]Fe)(CCC)(H)	C(CCC)(N)	117.4885	0.452	2	117.4885	0.204	2	118.1751	2.075	20	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	N-3:C-3:H-1:	C-3:N-1:	C(CHN)(COO)(CN)	C(NC[6a]H)(CCC)(H)	C(CCC)(N)	C(CHN)(COO)(CN)	C(NC[6a]H)(CCC)(H)	C(CCC)(N)	119.1002	1.480	9	119.1002	2.189	9	118.1751	2.075	20	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	N-3:C-3:H-1:	C-3:N-1:	C(CHN)(COO)(CN)	C(NCuC)(CCC)(H)	C(CCC)(N)	C(CHN)(COO)(CN)	C(NCuC)(CCC)(H)	C(CCC)(N)	116.7565	1.273	2	116.7565	1.622	2	118.1751	2.075	20	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	N-3:C-3:H-1:	C-3:N-1:	C(CHN)2(CN)	C(NC[6a]Cu)(CCC)(H)	C(CCC)(N)	C(CHN)2(CN)	C(NC[6a]Cu)(CCC)(H)	C(CCC)(N)	117.1967	0.795	4	117.1967	0.632	4	118.1751	2.075	20	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	N-3:C-3:H-1:	C-3:N-1:	C(CHN)2(CN)	C(NC[6a]H)(CCC)(H)	C(CCC)(N)	C(CHN)2(CN)	C(NC[6a]H)(CCC)(H)	C(CCC)(N)	118.6085	0.408	2	118.6085	0.166	2	118.1751	2.075	20	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	N-3:C-3:O-1:	C-3:N-1:	C(CCH)(CNO)(CN)	C(NC[6a]H)(CCC)(O)	C(CCC)(N)	C(CCH)(CNO)(CN)	C(NC[6a]H)(CCC)(O)	C(CCC)(N)	121.9640	0.000	1	121.9640	0.000	1	119.1899	5.386	34	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	N-3:C-3:O-1:	C-3:N-1:	C(CCO)(CNO)(CN)	C(NC[5a]H)(CCC)(O)	C(CCC)(N)	C(CCO)(CNO)(CN)	C(NC[5a]H)(CCC)(O)	C(CCC)(N)	118.6470	0.619	2	118.6470	0.384	2	119.1899	5.386	34	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	N-3:C-3:O-1:	C-3:N-1:	C(CCO)(CNO)(CN)	C(NC[6a]C)(CCC)(O)	C(CCC)(N)	C(CCO)(CNO)(CN)	C(NC[6a]C)(CCC)(O)	C(CCC)(N)	123.4133	0.759	3	123.4133	0.576	3	119.1899	5.386	34	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	N-3:C-3:O-1:	C-3:N-1:	C(CCO)(CNO)(CN)	C(NC[6a]H)(CCC)(O)	C(CCC)(N)	C(CCO)(CNO)(CN)	C(NC[6a]H)(CCC)(O)	C(CCC)(N)	121.1372	0.879	6	121.1372	0.773	6	119.1899	5.386	34	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	N-3:C-3:O-1:	C-3:N-1:	C(CC[6a]H)(CNO)(CN)	C(NC[6a]H)(CCC)(O)	C(CCC)(N)	C(CC[6a]H)(CNO)(CN)	C(NC[6a]H)(CCC)(O)	C(CCC)(N)	118.5883	0.743	3	118.5883	0.552	3	119.1899	5.386	34	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	N-3:C-3:O-1:	C-3:N-1:	C(CHN)(CNO)(CN)	C(NC[6a]H)(CCC)(O)	C(CCC)(N)	C(CHN)(CNO)(CN)	C(NC[6a]H)(CCC)(O)	C(CCC)(N)	117.8003	0.697	3	117.8003	0.486	3	119.1899	5.386	34	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	N-3:C-3:O-1:	C-3:N-1:	C(CNO)(CNS)(CN)	C(NC[6a]H)(CCC)(O)	C(CCC)(N)	C(CNO)(CNS)(CN)	C(NC[6a]H)(CCC)(O)	C(CCC)(N)	118.8540	0.000	1	118.8540	0.000	1	119.1899	5.386	34	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	N-3:C-3:O-1:	C-3:N-1:	C(CNO)2(CN)	C(NC[6a]H)(CCC)(O)	C(CCC)(N)	C(CNO)2(CN)	C(NC[6a]H)(CCC)(O)	C(CCC)(N)	117.8745	1.941	15	117.8745	3.769	15	119.1899	5.386	34	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	N-3:C-3:S-1:	C-3:N-1:	C(CNO)(CNS)(CN)	C(NC[6a]H)(CCC)(S)	C(CCC)(N)	C(CNO)(CNS)(CN)	C(NC[6a]H)(CCC)(S)	C(CCC)(N)	118.0270	0.000	1	118.0270	0.000	1	118.0270	0.000	1	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:C-3:C-2:	N[5]-3:C-3:O-1:	C-3:N-1:	C(CN[5]O)(CCC)(CN)	C(N[5]C[5,6a]C[5])(CCC)(O)	C(CCC)(N)	C(CN[5]O)(CCC)(CN)	C(N[5]C[5,6a]C[5])(CCC)(O)	C(CCC)(N)	111.7890	0.000	1	111.7890	0.000	1	111.7890	0.000	1	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:N-3:C-2:	C-3:C-3:H-1:	C-3:N-1:	C(CCH)(NCC)(CN)	C(CC[6a]C)(CCN)(H)	C(CCN)(N)	C(CCH)(NCC)(CN)	C(CC[6a]C)(CCN)(H)	C(CCN)(N)	122.2280	0.000	1	122.2280	0.000	1	122.2280	0.000	1	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:N-3:C-2:	C-3:N-3:H-1:	C-3:N-1:	C(CHN)(NCC)(CN)	C(CCN)(NCC)(H)	C(CCN)(N)	C(CHN)(NCC)(CN)	C(CCN)(NCC)(H)	C(CCN)(N)	117.5147	0.735	3	117.5147	0.540	3	117.5147	0.540	3	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:N-3:C-2:	C-3:N-3:O-1:	C-3:N-1:	C(CNO)(NOO)(CN)	C(CCN)(NHH)(O)	C(CCN)(N)	C(CNO)(NOO)(CN)	C(CCN)(NHH)(O)	C(CCN)(N)	117.4970	0.000	1	117.4970	0.000	1	117.4970	0.000	1	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C-3:N-3:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(CC[6a]H)(NOO)(CN)	C(C[6a]C[6a]2)(CCN)(H)	C(CCN)(N)	C(CC[6a]H)(NOO)(CN)	C(C[6a]C[6a]2)(CCN)(H)	C(CCN)(N)	129.1830	0.000	1	129.1830	0.000	1	129.1830	0.000	1	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[5]-3:C-3:C-2:	C-3:N-3:O-1:	C-3:N-1:	C(C[5]C[5]N[5])(CNO)(CN)	C(CC[5]C)(NHH)(O)	C(CC[5]C)(N)	C(C[5]C[5]N[5])(CNO)(CN)	C(CC[5]C)(NHH)(O)	C(CC[5]C)(N)	118.3440	0.000	1	118.3440	0.000	1	119.7035	3.696	2	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[5]-3:C-3:C-2:	C-3:N-3:O-1:	C-3:N-1:	C(C[5]N[5]S[5])(CNO)(CN)	C(CC[5]C)(NCH)(O)	C(CC[5]C)(N)	C(C[5]N[5]S[5])(CNO)(CN)	C(CC[5]C)(NCH)(O)	C(CC[5]C)(N)	121.0630	0.000	1	121.0630	0.000	1	119.7035	3.696	2	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[5]-3:C-3:C-2:	C-3:N-3:S-1:	C-3:N-1:	C(C[5]N[5]S[5])(CNS)(CN)	C(CC[5]C)(NHH)(S)	C(CC[5]C)(N)	C(C[5]N[5]S[5])(CNS)(CN)	C(CC[5]C)(NHH)(S)	C(CC[5]C)(N)	118.1520	0.000	1	118.1520	0.000	1	118.1520	0.000	1	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[5]-3:C-3:C-2:	C[5a]-3:C-3:O-1:	C-3:N-1:	C(C[5]N[5]S[5])(CC[5a]O)(CN)	C(C[5a]C[5a]O[5a])(CC[5]C)(O)	C(CC[5]C)(N)	C(C[5]N[5]S[5])(CC[5a]O)(CN)	C(C[5a]C[5a]O[5a])(CC[5]C)(O)	C(CC[5]C)(N)	121.3870	0.000	1	121.3870	0.000	1	122.9255	4.734	2	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[5]-3:C-3:C-2:	C[5a]-3:C-3:O-1:	C-3:N-1:	C(C[5]O[5]S[5])(CC[5a]O)(CN)	C(C[5a]C[5a,6a]C[5a])(CC[5]C)(O)	C(CC[5]C)(N)	C(C[5]O[5]S[5])(CC[5a]O)(CN)	C(C[5a]C[5a,6a]C[5a])(CC[5]C)(O)	C(CC[5]C)(N)	124.4640	0.000	1	124.4640	0.000	1	122.9255	4.734	2	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[5]-3:C-3:C-2:	C[6a]-3:C-3:O-1:	C-3:N-1:	C(C[5]C[5,6a]C[5])(CC[6a]O)(CN)	C(C[6a]C[6a]2)(CC[5]C)(O)	C(CC[5]C)(N)	C(C[5]C[5,6a]C[5])(CC[6a]O)(CN)	C(C[6a]C[6a]2)(CC[5]C)(O)	C(CC[5]C)(N)	113.9140	0.000	1	113.9140	0.000	1	116.2220	10.654	2	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[5]-3:C-3:C-2:	C[6a]-3:C-3:O-1:	C-3:N-1:	C(C[5]N[5]2)(CC[6a]O)(CN)	C(C[6a]C[6a]2)(CC[5]C)(O)	C(CC[5]C)(N)	C(C[5]N[5]2)(CC[6a]O)(CN)	C(C[6a]C[6a]2)(CC[5]C)(O)	C(CC[5]C)(N)	118.5300	0.000	1	118.5300	0.000	1	116.2220	10.654	2	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[5]-3:C-3:C-2:	N-3:C-3:O-1:	C-3:N-1:	C(C[5]N[5]2)(CNO)(CN)	C(NC[6a]H)(CC[5]C)(O)	C(CC[5]C)(N)	C(C[5]N[5]2)(CNO)(CN)	C(NC[6a]H)(CC[5]C)(O)	C(CC[5]C)(N)	117.5120	0.000	1	117.5120	0.000	1	117.5120	0.000	1	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:C-3:C-2:	C-3:N-3:H-1:	C-3:N-1:	C(C[5a]N[5a]S[5a])(CHN)(CN)	C(CC[5a]C)(NCC)(H)	C(CC[5a]C)(N)	C(C[5a]N[5a]S[5a])(CHN)(CN)	C(CC[5a]C)(NCC)(H)	C(CC[5a]C)(N)	126.3030	0.000	1	126.3030	0.000	1	126.3030	0.000	1	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:C-3:C-2:	C[5a]-3:C-3:H-1:	C-3:N-1:	C(C[5a]C[5a,6]S[5a])(CC[5a]H)(CN)	C(C[5a]C[5a,6]N[5a])(CC[5a]C)(H)	C(CC[5a]C)(N)	C(C[5a]C[5a,6]S[5a])(CC[5a]H)(CN)	C(C[5a]C[5a,6]N[5a])(CC[5a]C)(H)	C(CC[5a]C)(N)	119.0600	0.000	1	119.0600	0.000	1	120.9728	11.480	6	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:C-3:C-2:	C[5a]-3:C-3:H-1:	C-3:N-1:	C(C[5a]C[5a]N[5a])(CC[5a]H)(CN)	C(C[5a]C[5a]N[5a])(CC[5a]C)(H)	C(CC[5a]C)(N)	C(C[5a]C[5a]N[5a])(CC[5a]H)(CN)	C(C[5a]C[5a]N[5a])(CC[5a]C)(H)	C(CC[5a]C)(N)	115.0940	0.000	1	115.0940	0.000	1	120.9728	11.480	6	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:C-3:C-2:	C[5a]-3:C-3:H-1:	C-3:N-1:	C(C[5a]C[5a]O[5a])(CC[5a]H)(CN)	C(C[5a]C[5a]O[5a])(CC[5a]C)(H)	C(CC[5a]C)(N)	C(C[5a]C[5a]O[5a])(CC[5a]H)(CN)	C(C[5a]C[5a]O[5a])(CC[5a]C)(H)	C(CC[5a]C)(N)	123.5700	0.245	2	123.5700	0.060	2	120.9728	11.480	6	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:C-3:C-2:	C[5a]-3:C-3:H-1:	C-3:N-1:	C(C[5a]C[5a]S[5a])(CC[5a]H)(CN)	C(C[5a]C[5a]S[5a])(CC[5a]C)(H)	C(CC[5a]C)(N)	C(C[5a]C[5a]S[5a])(CC[5a]H)(CN)	C(C[5a]C[5a]S[5a])(CC[5a]C)(H)	C(CC[5a]C)(N)	121.2090	0.000	1	121.2090	0.000	1	120.9728	11.480	6	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:C-3:C-2:	C[5a]-3:C-3:H-1:	C-3:N-1:	C(C[5a]N[5a]O[5a])(CC[5a]H)(CN)	C(C[5a]C[5a]O[5a])(CC[5a]C)(H)	C(CC[5a]C)(N)	C(C[5a]N[5a]O[5a])(CC[5a]H)(CN)	C(C[5a]C[5a]O[5a])(CC[5a]C)(H)	C(CC[5a]C)(N)	123.3340	0.000	1	123.3340	0.000	1	120.9728	11.480	6	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(C[5a]C[5a]2)(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(CC[5a]C)(N)	C(C[5a]C[5a]2)(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(CC[5a]C)(N)	121.2530	0.006	2	121.2530	0.000	2	122.5855	2.946	16	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(C[5a]C[5a]N[5a])(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(CC[5a]C)(N)	C(C[5a]C[5a]N[5a])(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(CC[5a]C)(N)	121.7340	0.144	2	121.7340	0.021	2	122.5855	2.946	16	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(C[5a]C[5a]S[5a])(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(CC[5a]C)(N)	C(C[5a]C[5a]S[5a])(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(CC[5a]C)(N)	122.8547	0.624	3	122.8547	0.390	3	122.5855	2.946	16	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(C[5a]N[5a]O[5a])(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(CC[5a]C)(N)	C(C[5a]N[5a]O[5a])(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(CC[5a]C)(N)	124.2275	1.430	2	124.2275	2.046	2	122.5855	2.946	16	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(C[5a]N[5a]S[5a])(CC[6a]H)(CN)	C(C[6a]C[6a,6a]2)(CC[5a]C)(H)	C(CC[5a]C)(N)	C(C[5a]N[5a]S[5a])(CC[6a]H)(CN)	C(C[6a]C[6a,6a]2)(CC[5a]C)(H)	C(CC[5a]C)(N)	117.6600	0.000	1	117.6600	0.000	1	122.5855	2.946	16	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[5a]-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(C[5a]N[5a]S[5a])(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(CC[5a]C)(N)	C(C[5a]N[5a]S[5a])(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[5a]C)(H)	C(CC[5a]C)(N)	123.4525	0.625	6	123.4525	0.391	6	122.5855	2.946	16	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C-3:C-2:	C-3:N-3:H-1:	C-3:N-1:	C(C[6]C[6]N[6])(CHN)(CN)	C(CC[6]C)(NC[6]H)(H)	C(CC[6]C)(N)	C(C[6]C[6]N[6])(CHN)(CN)	C(CC[6]C)(NC[6]H)(H)	C(CC[6]C)(N)	119.7300	0.000	1	119.7300	0.000	1	119.7300	0.000	1	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(C[6]C[6]2)(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[6]C)(H)	C(CC[6]C)(N)	C(C[6]C[6]2)(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[6]C)(H)	C(CC[6]C)(N)	121.5470	0.981	3	121.5470	0.962	3	121.5470	0.962	3	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[6]-3:C-3:C-2:	C[6a]-3:C-3:O-1:	C-3:N-1:	C(C[6]C[6,6a]C[6])(CC[6a]O)(CN)	C(C[6a]C[6a]2)(CC[6]C)(O)	C(CC[6]C)(N)	C(C[6]C[6,6a]C[6])(CC[6a]O)(CN)	C(C[6a]C[6a]2)(CC[6]C)(O)	C(CC[6]C)(N)	112.4190	0.000	1	112.4190	0.000	1	112.4190	0.000	1	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C-3:C-2:	C-3:C-3:H-1:	C-3:N-1:	C(C[6a]C[6a]2)(CCH)(CN)	C(CC[6a]C)(CCH)(H)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CCH)(CN)	C(CC[6a]C)(CCH)(H)	C(CC[6a]C)(N)	118.0240	0.143	2	118.0240	0.020	2	118.1920	2.548	4	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C-3:C-2:	C-3:C-3:H-1:	C-3:N-1:	C(C[6a]C[6a]2)(CCH)(CN)	C(CC[6a]C)(CCN)(H)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CCH)(CN)	C(CC[6a]C)(CCN)(H)	C(CC[6a]C)(N)	120.2980	0.000	1	120.2980	0.000	1	118.1920	2.548	4	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C-3:C-2:	C-3:C-3:H-1:	C-3:N-1:	C(C[6a]C[6a]2)(CCH)(CN)	C(CC[6a]C)(CHN)(H)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CCH)(CN)	C(CC[6a]C)(CHN)(H)	C(CC[6a]C)(N)	116.4220	0.000	1	116.4220	0.000	1	118.1920	2.548	4	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C-3:C-2:	C-3:N-3:H-1:	C-3:N-1:	C(C[6a]C[6a]2)(CHN)(CN)	C(CC[6a]C)(NCH)(H)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CHN)(CN)	C(CC[6a]C)(NCH)(H)	C(CC[6a]C)(N)	116.9045	0.738	2	116.9045	0.544	2	116.3443	0.625	4	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C-3:C-2:	C-3:N-3:H-1:	C-3:N-1:	C(C[6a]C[6a]N[6a])(CHN)(CN)	C(CC[6a]C)(NCH)(H)	C(CC[6a]C)(N)	C(C[6a]C[6a]N[6a])(CHN)(CN)	C(CC[6a]C)(NCH)(H)	C(CC[6a]C)(N)	115.9790	0.000	1	115.9790	0.000	1	116.3443	0.625	4	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C-3:C-2:	C-3:N-3:H-1:	C-3:N-1:	C(C[6a]C[6a]N[6a])(CHN)(CN)	C(CC[6a]C)(NC[6]H)(H)	C(CC[6a]C)(N)	C(C[6a]C[6a]N[6a])(CHN)(CN)	C(CC[6a]C)(NC[6]H)(H)	C(CC[6a]C)(N)	115.5890	0.000	1	115.5890	0.000	1	116.3443	0.625	4	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C-3:C-2:	C[5]-3:C-3:H-1:	C-3:N-1:	C(C[6a]C[6a]2)(CC[5]H)(CN)	C(C[5]C[5]N[5])(CC[6a]C)(H)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[5]H)(CN)	C(C[5]C[5]N[5])(CC[6a]C)(H)	C(CC[6a]C)(N)	120.9200	1.892	2	120.9200	3.580	2	120.4812	1.530	4	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C-3:C-2:	C[5]-3:C-3:H-1:	C-3:N-1:	C(C[6a]C[6a]2)(CC[5]H)(CN)	C(C[5]N[5]S[5])(CC[6a]C)(H)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[5]H)(CN)	C(C[5]N[5]S[5])(CC[6a]C)(H)	C(CC[6a]C)(N)	119.6960	0.000	1	119.6960	0.000	1	120.4812	1.530	4	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C-3:C-2:	C[5]-3:C-3:H-1:	C-3:N-1:	C(C[6a]C[6a]2)(CC[5]H)(CN)	C(C[5]Se[5]N[5])(CC[6a]C)(H)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[5]H)(CN)	C(C[5]Se[5]N[5])(CC[6a]C)(H)	C(CC[6a]C)(N)	120.3890	0.000	1	120.3890	0.000	1	120.4812	1.530	4	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C-3:C-2:	C[5a]-3:C-3:H-1:	C-3:N-1:	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C(C[5a]C[5a,6a]C[5a])(CC[6a]C)(H)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C(C[5a]C[5a,6a]C[5a])(CC[6a]C)(H)	C(CC[6a]C)(N)	119.5025	0.269	2	119.5025	0.073	2	119.8598	1.699	15	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C-3:C-2:	C[5a]-3:C-3:H-1:	C-3:N-1:	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C(C[5a]C[5a]2)(CC[6a]C)(H)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C(C[5a]C[5a]2)(CC[6a]C)(H)	C(CC[6a]C)(N)	119.9250	0.000	1	119.9250	0.000	1	119.8598	1.699	15	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C-3:C-2:	C[5a]-3:C-3:H-1:	C-3:N-1:	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C(C[5a]C[5a]N[5a])(CC[6a]C)(H)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C(C[5a]C[5a]N[5a])(CC[6a]C)(H)	C(CC[6a]C)(N)	118.8540	0.177	2	118.8540	0.031	2	119.8598	1.699	15	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C-3:C-2:	C[5a]-3:C-3:H-1:	C-3:N-1:	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C(C[5a]C[5a]O[5a])(CC[6a]C)(H)	C(CC[6a]C)(N)	121.5910	0.477	4	121.5910	0.227	4	119.8598	1.699	15	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C-3:C-2:	C[5a]-3:C-3:H-1:	C-3:N-1:	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C(C[5a]C[5a]S[5a])(CC[6a]C)(H)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C(C[5a]C[5a]S[5a])(CC[6a]C)(H)	C(CC[6a]C)(N)	119.1492	1.067	6	119.1492	1.139	6	119.8598	1.699	15	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C(C[6a]C[5,6a]C[6a])(CC[6a]C)(H)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C(C[6a]C[5,6a]C[6a])(CC[6a]C)(H)	C(CC[6a]C)(N)	119.0600	0.000	1	119.0600	0.000	1	120.8096	1.852	121	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C(C[6a]C[5a,6a]C[6a])(CC[6a]C)(H)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C(C[6a]C[5a,6a]C[6a])(CC[6a]C)(H)	C(CC[6a]C)(N)	120.8297	1.045	3	120.8297	1.092	3	120.8096	1.852	121	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(H)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C(C[6a]C[6a,6a]C[6a])(CC[6a]C)(H)	C(CC[6a]C)(N)	121.3977	0.679	3	121.3977	0.461	3	120.8096	1.852	121	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(CC[6a]C)(N)	120.7191	1.341	109	120.7191	1.797	109	120.8096	1.852	121	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(C[6a]C[6a]N[6a])(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(CC[6a]C)(N)	C(C[6a]C[6a]N[6a])(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(CC[6a]C)(N)	122.7678	0.468	5	122.7678	0.219	5	120.8096	1.852	121	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	N-3:C-3:C-2:	N-3:C-3:O-1:	C-3:N-1:	C(NNiO)(CNO)(CN)	C(NNiH)(CCN)(O)	C(CCN)(N)	C(NNiO)(CNO)(CN)	C(NNiH)(CCN)(O)	C(CCN)(N)	124.6220	0.000	1	124.6220	0.000	1	124.6220	0.000	1	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	N[5]-3:C-3:C-2:	C-3:N-3:O-1:	C-3:C-1:	C(N[5]C[5]2)(CNO)(CC)	C(CN[5]C)(NHH)(O)	C(CN[5]C)(C)	C(N[5]C[5]2)(CNO)(CC)	C(CN[5]C)(NHH)(O)	C(CN[5]C)(C)	110.7240	0.000	1	110.7240	0.000	1	110.7240	0.000	1	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	N[6]-3:C-3:C-2:	C-3:C-3:H-1:	C-3:N-1:	C(N[6]C[6]N[6])(CCH)(CN)	C(CC[6a]N)(CN[6]C)(H)	C(CN[6]C)(N)	C(N[6]C[6]N[6])(CCH)(CN)	C(CC[6a]N)(CN[6]C)(H)	C(CN[6]C)(N)	117.6210	0.000	1	117.6210	0.000	1	117.6210	0.000	1	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:1:	N[6]-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(N[6]C[6]2)(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CN[6]C)(H)	C(CN[6]C)(N)	C(N[6]C[6]2)(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CN[6]C)(H)	C(CN[6]C)(N)	117.4320	0.000	1	117.4320	0.000	1	117.4320	0.000	1	120.6697	8.537	420	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:2:	C-3:C-3:C-2:	C-3:C-3:H-1:	C-3:C-2:	C(CCC)(CCH)(CC)	C(CCC)(CCH)(H)	C(CCC)(CC)	C(CCC)(CCH)(CC)	C(CCC)(CCH)(H)	C(CCC)(CC)	116.9060	0.000	1	116.9060	0.000	1	117.5773	4.656	3	119.1752	19.266	17	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:2:	C-3:C-3:C-2:	C-3:C-3:H-1:	C-3:C-2:	C(CCH)2(CC)	C(CC[6a]H)(CCC)(H)	C(CCC)(CC)	C(CCH)2(CC)	C(CC[6a]H)(CCC)(H)	C(CCC)(CC)	119.9910	0.000	1	119.9910	0.000	1	117.5773	4.656	3	119.1752	19.266	17	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:2:	C-3:C-3:C-2:	C-3:C-3:H-1:	C-3:C-2:	C(CC[5]H)(CCH)(CC)	C(CCC)(CCH)(H)	C(CCC)(CSi)	C(CC[5]H)(CCH)(CC)	C(CCC)(CCH)(H)	C(CCC)(CSi)	115.8350	0.000	1	115.8350	0.000	1	117.5773	4.656	3	119.1752	19.266	17	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:2:	C-3:C-3:C-2:	C[5]-3:C-3:H-1:	C-3:C-2:	C(CC[5]H)(CCH)(CC)	C(C[5]C[5]2)(CCC)(H)	C(CCC)(CSi)	C(CC[5]H)(CCH)(CC)	C(C[5]C[5]2)(CCC)(H)	C(CCC)(CSi)	116.9470	0.000	1	116.9470	0.000	1	116.9470	0.000	1	119.1752	19.266	17	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:2:	C-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:C-2:	C(CC[6a]H)(COO)(CC)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(CH)	C(CC[6a]H)(COO)(CC)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(CH)	126.0660	0.792	2	126.0660	0.627	2	126.0660	0.627	2	119.1752	19.266	17	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:2:	C[5]-3:C-3:C-2:	C-3:C-3:H-1:	C-3:C-2:	C(C[5]C[5]2)(CCH)(CC)	C(CC[5]C)(CHH)(H)	C(CC[5]C)(CSi)	C(C[5]C[5]2)(CCH)(CC)	C(CC[5]C)(CHH)(H)	C(CC[5]C)(CSi)	116.4990	0.000	1	116.4990	0.000	1	116.4990	0.000	1	119.1752	19.266	17	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:2:	C[5]-3:C-3:C-2:	C[6a]-3:C-3:O-1:	C-3:C-2:	C(C[5]C[5,6a]C[5])(CC[6a]O)(CC)	C(C[6a]C[6a]2)(CC[5]C)(O)	C(CC[5]C)(CC[6a])	C(C[5]C[5,6a]C[5])(CC[6a]O)(CC)	C(C[6a]C[6a]2)(CC[5]C)(O)	C(CC[5]C)(CC[6a])	112.8240	0.000	1	112.8240	0.000	1	112.8240	0.000	1	119.1752	19.266	17	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:2:	C[6]-3:C-3:C-2:	C[6a]-3:C-3:O-1:	C-3:C-2:	C(C[6]C[6,6a]C[6])(CC[6a]O)(CC)	C(C[6a]C[6a]2)(CC[6]C)(O)	C(CC[6]C)(CC[6a])	C(C[6]C[6,6a]C[6])(CC[6a]O)(CC)	C(C[6a]C[6a]2)(CC[6]C)(O)	C(CC[6]C)(CC[6a])	110.8820	0.000	1	110.8820	0.000	1	110.8820	0.000	1	119.1752	19.266	17	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C-3:C-2:	C-3:C-3:H-1:	C-3:C-2:	C(C[6a]C[6a]2)(CCH)(CC)	C(CC[6a]C)(CCC)(H)	C(CC[6a]C)(CC[6a])	C(C[6a]C[6a]2)(CCH)(CC)	C(CC[6a]C)(CCC)(H)	C(CC[6a]C)(CC[6a])	116.2855	0.260	2	116.2855	0.067	2	117.1923	2.501	3	119.1752	19.266	17	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C-3:C-2:	C-3:C-3:H-1:	C-3:C-2:	C(C[6a]C[6a]2)(CCH)(CC)	C(CC[6a]C)(CC[6]H)(H)	C(CC[6a]C)(CC[6a])	C(C[6a]C[6a]2)(CCH)(CC)	C(CC[6a]C)(CC[6]H)(H)	C(CC[6a]C)(CC[6a])	119.0060	0.000	1	119.0060	0.000	1	117.1923	2.501	3	119.1752	19.266	17	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C-3:C-2:	C[6]-3:C-3:H-1:	C-3:C-2:	C(C[6a]C[6a]2)(CC[6]H)(CC)	C(C[6]C[5a,6]2)(CC[6a]C)(H)	C(CC[6a]C)(CC[5])	C(C[6a]C[6a]2)(CC[6]H)(CC)	C(C[6]C[5a,6]2)(CC[6a]C)(H)	C(CC[6a]C)(CC[5])	122.2910	0.000	1	122.2910	0.000	1	122.4525	0.052	2	119.1752	19.266	17	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C-3:C-2:	C[6]-3:C-3:H-1:	C-3:C-2:	C(C[6a]C[6a]2)(CC[6]H)(CC)	C(C[6]C[5a,6]2)(CC[6a]C)(H)	C(CC[6a]C)(CC[6a])	C(C[6a]C[6a]2)(CC[6]H)(CC)	C(C[6]C[5a,6]2)(CC[6a]C)(H)	C(CC[6a]C)(CC[6a])	122.6140	0.000	1	122.6140	0.000	1	122.4525	0.052	2	119.1752	19.266	17	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:2:	C[6a]-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:C-2:	C(C[6a]C[6a]2)(CC[6a]H)(CC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(CC[6a]C)(CH)	C(C[6a]C[6a]2)(CC[6a]H)(CC)	C(C[6a]C[6a]2)(CC[6a]C)(H)	C(CC[6a]C)(CH)	123.9040	0.000	1	123.9040	0.000	1	123.9040	0.000	1	119.1752	19.266	17	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:2:	N[5]-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:C-2:	C(N[5]C[5]2)(CC[6a]H)(CC)	C(C[6a]C[6a]2)(CN[5]C)(H)	C(CN[5]C)(CC[6a])	C(N[5]C[5]2)(CC[6a]H)(CC)	C(C[6a]C[6a]2)(CN[5]C)(H)	C(CN[5]C)(CC[6a])	121.5590	0.000	1	121.5590	0.000	1	121.5590	0.000	1	119.1752	19.266	17	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:1:	3:2:	N[5a]-3:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:C-2:	C(N[5a]C[5a,6a]C[5a])(CC[6a]H)(CC)	C(C[6a]C[6a]2)(CN[5a]C)(H)	C(CN[5a]C)(CC[6a])	C(N[5a]C[5a,6a]C[5a])(CC[6a]H)(CC)	C(C[6a]C[6a]2)(CN[5a]C)(H)	C(CN[5a]C)(CC[6a])	122.0170	0.000	1	122.0170	0.000	1	122.0170	0.000	1	119.1752	19.266	17	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C-3:C-3:C-2:	C-3:C-3:C-2:	C-3:N-1:	C(CCC)(CCH)(CN)	C(CCC)(CCO)(CN)	C(CCC)(N)	C(CCC)(CCH)(CN)	C(CCC)(CCO)(CN)	C(CCC)(N)	116.6690	0.000	1	116.6690	0.000	1	117.3748	8.001	5	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C-3:C-3:C-2:	C-3:C-3:C-2:	C-3:N-1:	C(CCC)(CCH)(CN)	C(CC[5]H)(CCC)(CN)	C(CCC)(N)	C(CCC)(CCH)(CN)	C(CC[5]H)(CCC)(CN)	C(CCC)(N)	115.5420	0.000	1	115.5420	0.000	1	117.3748	8.001	5	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C-3:C-3:C-2:	C-3:C-3:C-2:	C-3:N-1:	C(CCC)(CCO)(CN)	C(CCC)(CCH)(CN)	C(CCC)(N)	C(CCC)(CCO)(CN)	C(CCC)(CCH)(CN)	C(CCC)(N)	115.6880	0.000	1	115.6880	0.000	1	117.3748	8.001	5	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C-3:C-3:C-2:	C-3:C-3:C-2:	C-3:N-1:	C(CCC)(COO)(CN)	C(CCC)(COO)(CN)	C(CCC)(N)	C(CCC)(COO)(CN)	C(CCC)(COO)(CN)	C(CCC)(N)	122.3490	0.000	1	122.3490	0.000	1	117.3748	8.001	5	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C-3:C-3:C-2:	C-3:C-3:C-2:	C-3:N-1:	C(CC[5]H)(CCC)(CN)	C(CCC)(CCH)(CN)	C(CCC)(N)	C(CC[5]H)(CCC)(CN)	C(CCC)(CCH)(CN)	C(CCC)(N)	116.6260	0.000	1	116.6260	0.000	1	117.3748	8.001	5	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C-3:C-3:C-2:	C-3:C-3:O-2:	C-3:N-1:	C(CCN)(CCO)(CN)	C(CCC)(CHH)(ONi)	C(CCC)(N)	C(CCN)(CCO)(CN)	C(CCC)(CHH)(ONi)	C(CCC)(N)	117.4130	0.000	1	117.4130	0.000	1	117.4130	0.000	1	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C-3:C-3:C-2:	C-3:N-3:O-2:	C-3:N-1:	C(CNO)(CNS)(CN)	C(CCC)(NCH)(OH)	C(CCC)(N)	C(CNO)(CNS)(CN)	C(CCC)(NCH)(OH)	C(CCC)(N)	116.3770	0.323	3	116.3770	0.104	3	122.5673	10.725	21	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C-3:C-3:C-2:	C-3:N-3:O-2:	C-3:N-1:	C(CNO)2(CN)	C(CCC)(NCC)(OH)	C(CCC)(N)	C(CNO)2(CN)	C(CCC)(NCC)(OH)	C(CCC)(N)	124.6491	0.836	14	124.6491	0.700	14	122.5673	10.725	21	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C-3:C-3:C-2:	C-3:N-3:O-2:	C-3:N-1:	C(CNO)2(CN)	C(CCC)(NCH)(OH)	C(CCC)(N)	C(CNO)2(CN)	C(CCC)(NCH)(OH)	C(CCC)(N)	119.9240	0.734	4	119.9240	0.539	4	122.5673	10.725	21	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C-3:C-3:C-2:	C-3:N-3:S-2:	C-3:N-1:	C(CNO)(CNS)(CN)	C(CCC)(NCH)(SC)	C(CCC)(N)	C(CNO)(CNS)(CN)	C(CCC)(NCH)(SC)	C(CCC)(N)	120.1210	0.000	1	120.1210	0.000	1	119.2200	1.624	2	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C-3:C-3:C-2:	C-3:N-3:S-2:	C-3:N-1:	C(CNO)(CNS)(CN)	C(CCC)(NHS)(SC)	C(CCC)(N)	C(CNO)(CNS)(CN)	C(CCC)(NHS)(SC)	C(CCC)(N)	118.3190	0.000	1	118.3190	0.000	1	119.2200	1.624	2	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C-3:C-3:C-2:	C-3:S-3:S-2:	C-3:N-1:	C(COO)(CSS)(CN)	C(CCC)(SCO)(SC)	C(CCC)(N)	C(COO)(CSS)(CN)	C(CCC)(SCO)(SC)	C(CCC)(N)	123.4570	0.000	1	123.4570	0.000	1	123.4570	0.000	1	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C-3:C-3:C-2:	N-3:C-3:O-2:	C-3:N-1:	C(CNO)2(CN)	C(NC[6a]H)(CCC)(OH)	C(CCC)(N)	C(CNO)2(CN)	C(NC[6a]H)(CCC)(OH)	C(CCC)(N)	121.2723	0.133	3	121.2723	0.018	3	120.7157	1.251	4	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C-3:C-3:C-2:	N-3:C-3:O-2:	C-3:N-1:	C(CRuC)(CNO)(CN)	C(NRuH)(CCC)(OC)	C(CCC)(N)	C(CRuC)(CNO)(CN)	C(NRuH)(CCC)(OC)	C(CCC)(N)	119.0460	0.000	1	119.0460	0.000	1	120.7157	1.251	4	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C-3:C-3:C-2:	N-3:C-3:S-2:	C-3:N-1:	C(CC[6a]O)(CNS)(CN)	C(NC[6a]H)(CCC)(SC)	C(CCC)(N)	C(CC[6a]O)(CNS)(CN)	C(NC[6a]H)(CCC)(SC)	C(CCC)(N)	118.8890	0.000	1	118.8890	0.000	1	119.4240	0.572	2	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C-3:C-3:C-2:	N-3:C-3:S-2:	C-3:N-1:	C(CNS)(COO)(CN)	C(NC[6a]H)(CCC)(SH)	C(CCC)(N)	C(CNS)(COO)(CN)	C(NC[6a]H)(CCC)(SH)	C(CCC)(N)	119.9590	0.000	1	119.9590	0.000	1	119.4240	0.572	2	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C-3:N-3:C-2:	C-3:N-3:C-2:	C-3:N-1:	C(CCN)(NCH)(CN)	C(CCN)(NCH)(CN)	C(CCN)(N)	C(CCN)(NCH)(CN)	C(CCN)(NCH)(CN)	C(CCN)(N)	117.7670	0.000	1	117.7670	0.000	1	118.9860	0.660	5	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C-3:N-3:C-2:	C-3:N-3:C-2:	C-3:N-1:	C(CCN)(NCH)(CN)	C(CCN)(NHH)(CN)	C(CCN)(N)	C(CCN)(NCH)(CN)	C(CCN)(NHH)(CN)	C(CCN)(N)	119.9720	0.000	1	119.9720	0.000	1	118.9860	0.660	5	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C-3:N-3:C-2:	C-3:N-3:C-2:	C-3:N-1:	C(CCN)(NHH)(CN)	C(CCN)(NCH)(CN)	C(CCN)(N)	C(CCN)(NHH)(CN)	C(CCN)(NCH)(CN)	C(CCN)(N)	118.7570	0.000	1	118.7570	0.000	1	118.9860	0.660	5	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C-3:N-3:C-2:	C-3:N-3:C-2:	C-3:N-1:	C(CCN)(NHH)(CN)	C(CCN)(NHH)(CN)	C(CCN)(N)	C(CCN)(NHH)(CN)	C(CCN)(NHH)(CN)	C(CCN)(N)	119.2170	0.154	2	119.2170	0.024	2	118.9860	0.660	5	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C-3:N-3:C-2:	C-3:N-3:N-2:	C-3:N-1:	C(CNN)(NOO)(CN)	C(CCN)(NCC)(NC)	C(CCN)(N)	C(CNN)(NOO)(CN)	C(CCN)(NCC)(NC)	C(CCN)(N)	119.3530	0.000	1	119.3530	0.000	1	119.3530	0.000	1	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C-3:N-3:C-2:	C[6a]-3:C-3:O-2:	C-3:N-1:	C(CC[6a]O)(NFeO)(CN)	C(C[6a]C[6a]2)(CCN)(OFe)	C(CCN)(N)	C(CC[6a]O)(NFeO)(CN)	C(C[6a]C[6a]2)(CCN)(OFe)	C(CCN)(N)	127.7891	0.575	12	127.7891	0.330	12	127.7891	0.330	12	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C-3:N-3:C-2:	N[6]-3:C-3:O-2:	C-3:N-1:	C(CN[6]O)(NPtO)(CN)	C(N[6]C[6]2)(CCN)(OPt)	C(CCN)(N)	C(CN[6]O)(NPtO)(CN)	C(N[6]C[6]2)(CCN)(OPt)	C(CCN)(N)	128.1569	1.301	8	128.1569	1.693	8	128.1569	1.693	8	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C[5]-3:C-3:C-2:	C[5]-3:C-3:C-2:	C-3:N-1:	C(C[5]C[5,6a]C[5])(CC[5]C)(CN)	C(C[5]C[5,6a]C[5])(CC[5]C)(CN)	C(CC[5]C)(N)	C(C[5]C[5,6a]C[5])(CC[5]C)(CN)	C(C[5]C[5,6a]C[5])(CC[5]C)(CN)	C(CC[5]C)(N)	118.6810	0.211	2	118.6810	0.044	2	118.7867	2.046	6	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C[5]-3:C-3:C-2:	C[5]-3:C-3:C-2:	C-3:N-1:	C(C[5]C[5]N[5])(CC[5]C)(CN)	C(C[5]C[5]N[5])(CC[5]C)(CN)	C(CC[5]C)(N)	C(C[5]C[5]N[5])(CC[5]C)(CN)	C(C[5]C[5]N[5])(CC[5]C)(CN)	C(CC[5]C)(N)	120.2800	0.124	2	120.2800	0.015	2	118.7867	2.046	6	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C[5]-3:C-3:C-2:	C[5]-3:C-3:C-2:	C-3:N-1:	C(C[5]C[5]O[5])(CC[5]C)(CN)	C(C[5]N[5]2)(CC[5]C)(CN)	C(CC[5]C)(N)	C(C[5]C[5]O[5])(CC[5]C)(CN)	C(C[5]N[5]2)(CC[5]C)(CN)	C(CC[5]C)(N)	116.4410	0.000	1	116.4410	0.000	1	118.7867	2.046	6	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C[5]-3:C-3:C-2:	C[5]-3:C-3:C-2:	C-3:N-1:	C(C[5]N[5]2)(CC[5]C)(CN)	C(C[5]C[5]O[5])(CC[5]C)(CN)	C(CC[5]C)(N)	C(C[5]N[5]2)(CC[5]C)(CN)	C(C[5]C[5]O[5])(CC[5]C)(CN)	C(CC[5]C)(N)	118.3570	0.000	1	118.3570	0.000	1	118.7867	2.046	6	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C[5a]-3:C-3:C-2:	C[5a]-3:C-3:C-2:	C-3:N-1:	C(C[5a]C[5a]2)(CC[5a]C)(CN)	C(C[5a]C[5a]2)(CC[5a]C)(CN)	C(CC[5a]C)(N)	C(C[5a]C[5a]2)(CC[5a]C)(CN)	C(C[5a]C[5a]2)(CC[5a]C)(CN)	C(CC[5a]C)(N)	118.2830	0.800	2	118.2830	0.641	2	117.9010	0.413	4	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C[5a]-3:C-3:C-2:	C[5a]-3:C-3:C-2:	C-3:N-1:	C(C[5a]N[5a,6a]C[5a])(CC[5a]C)(CN)	C(C[5a]N[5a,6a]C[5a])(CC[5a]C)(CN)	C(CC[5a]C)(N)	C(C[5a]N[5a,6a]C[5a])(CC[5a]C)(CN)	C(C[5a]N[5a,6a]C[5a])(CC[5a]C)(CN)	C(CC[5a]C)(N)	117.5190	0.119	2	117.5190	0.014	2	117.9010	0.413	4	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C[6]-3:C-3:C-2:	C-3:N-3:O-2:	C-3:N-1:	C(C[6]N[6]2)(CNO)(CN)	C(CC[6]C)(NHH)(OZn)	C(CC[6]C)(N)	C(C[6]N[6]2)(CNO)(CN)	C(CC[6]C)(NHH)(OZn)	C(CC[6]C)(N)	116.8240	0.000	1	116.8240	0.000	1	116.8240	0.000	1	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C-3:C-2:	C[5a]-3:C-3:O-2:	C-3:N-1:	C(C[6a]C[6a]2)(CC[5a]O)(CN)	C(C[5a]C[5a]N[5a])(CC[6a]C)(OC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[5a]O)(CN)	C(C[5a]C[5a]N[5a])(CC[6a]C)(OC)	C(CC[6a]C)(N)	117.3120	0.627	3	117.3120	0.393	3	117.3120	0.393	3	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C-3:C-2:	C[5a]-3:C-3:S-2:	C-3:N-1:	C(C[6a]C[6a]2)(CC[5a]S)(CN)	C(C[5a]C[5a,6a]C[5a])(CC[6a]C)(SC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[5a]S)(CN)	C(C[5a]C[5a,6a]C[5a])(CC[6a]C)(SC)	C(CC[6a]C)(N)	120.8970	0.000	1	120.8970	0.000	1	120.6960	0.081	2	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C-3:C-2:	C[5a]-3:C-3:S-2:	C-3:N-1:	C(C[6a]C[6a]2)(CC[5a]S)(CN)	C(C[5a]C[5a]S[5a])(CC[6a]C)(SC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[5a]S)(CN)	C(C[5a]C[5a]S[5a])(CC[6a]C)(SC)	C(CC[6a]C)(N)	120.4950	0.000	1	120.4950	0.000	1	120.6960	0.081	2	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C-3:C-2:	C-3:N-1:	C(C[6a]C[6a]2)(CC[6a]C)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(CN)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[6a]C)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(CN)	C(CC[6a]C)(N)	118.3169	1.099	8	118.3169	1.207	8	118.3169	1.207	8	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C-3:O-2:	C-3:N-1:	C(C[6a]C[6a]2)(CC[6a]O)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(OH)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[6a]O)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(OH)	C(CC[6a]C)(N)	117.2040	0.000	1	117.2040	0.000	1	117.2040	0.000	1	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C-3:S-2:	C-3:N-1:	C(C[6a]C[6a]2)(CC[6a]S)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(SC)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[6a]S)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(SC)	C(CC[6a]C)(N)	118.7030	0.370	4	118.7030	0.137	4	118.6734	0.107	5	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C-3:S-2:	C-3:N-1:	C(C[6a]C[6a]2)(CC[6a]S)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(SC[6a])	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[6a]S)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(SC[6a])	C(CC[6a]C)(N)	118.5550	0.000	1	118.5550	0.000	1	118.6734	0.107	5	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	N-3:C-3:C-2:	C-3:N-3:O-2:	C-3:N-1:	C(NPtO)(CNO)(CN)	C(CCN)(NCC)(OPt)	C(CCN)(N)	C(NPtO)(CNO)(CN)	C(CCN)(NCC)(OPt)	C(CCN)(N)	127.6895	1.128	4	127.6895	1.273	4	127.6895	1.273	4	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	N-3:C-3:C-2:	N-3:C-3:C-2:	C-3:N-1:	C(NC[6]H)(CCN)(CN)	C(NC[6]H)(CCN)(CN)	C(CCN)(N)	C(NC[6]H)(CCN)(CN)	C(NC[6]H)(CCN)(CN)	C(CCN)(N)	119.5610	0.161	2	119.5610	0.026	2	120.4278	0.895	12	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	N-3:C-3:C-2:	N-3:C-3:C-2:	C-3:N-1:	C(NCuC)(CCN)(CN)	C(NCuC)(CCN)(CN)	C(CCN)(N)	C(NCuC)(CCN)(CN)	C(NCuC)(CCN)(CN)	C(CCN)(N)	121.4850	0.767	2	121.4850	0.588	2	120.4278	0.895	12	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	N-3:C-3:C-2:	N-3:C-3:C-2:	C-3:N-1:	C(NFeC)(CCN)(CN)	C(NFeC)(CCN)(CN)	C(CCN)(N)	C(NFeC)(CCN)(CN)	C(NFeC)(CCN)(CN)	C(CCN)(N)	121.2020	0.253	2	121.2020	0.064	2	120.4278	0.895	12	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	N-3:C-3:C-2:	N-3:C-3:C-2:	C-3:N-1:	C(NZnC)(CCN)(CN)	C(NZnC)(CCN)(CN)	C(CCN)(N)	C(NZnC)(CCN)(CN)	C(NZnC)(CCN)(CN)	C(CCN)(N)	120.1062	0.850	6	120.1062	0.722	6	120.4278	0.895	12	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	N-3:C-3:C-2:	N-3:C-3:O-2:	C-3:N-1:	C(NCuO)(CNO)(CN)	C(NCuH)(CCN)(OC)	C(CCN)(N)	C(NCuO)(CNO)(CN)	C(NCuH)(CCN)(OC)	C(CCN)(N)	119.2350	1.701	2	119.2350	2.894	2	120.9610	4.937	4	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	N-3:C-3:C-2:	N-3:C-3:O-2:	C-3:N-1:	C(NNiO)(CNO)(CN)	C(NNiH)(CCN)(OC)	C(CCN)(N)	C(NNiO)(CNO)(CN)	C(NNiH)(CCN)(OC)	C(CCN)(N)	122.6870	0.000	2	122.6870	0.000	2	120.9610	4.937	4	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	S-3:C-3:C-2:	S-3:C-3:C-2:	C-3:N-1:	C(SAgCu)(CCS)(CN)	C(SCu2)(CCS)(CN)	C(CCS)(N)	C(SAgCu)(CCS)(CN)	C(SCu2)(CCS)(CN)	C(CCS)(N)	119.1010	0.990	3	119.1010	0.979	3	119.9237	1.301	6	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:1:	S-3:C-3:C-2:	S-3:C-3:C-2:	C-3:N-1:	C(SCu2)(CCS)(CN)	C(SAgCu)(CCS)(CN)	C(CCS)(N)	C(SCu2)(CCS)(CN)	C(SAgCu)(CCS)(CN)	C(CCS)(N)	120.7463	0.493	3	120.7463	0.243	3	119.9237	1.301	6	121.5735	15.699	118	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:2:	C-3:C-3:C-2:	C-3:C-3:C-2:	C-3:C-2:	C(CCC)(CCH)(CC)	C(CCC)(CCH)(CC)	C(CCC)(CC)	C(CCC)(CCH)(CC)	C(CCC)(CCH)(CC)	C(CCC)(CC)	120.8920	0.000	1	120.8920	0.000	1	118.3930	5.206	3	119.9524	4.449	7	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:2:	C-3:C-3:C-2:	C-3:C-3:C-2:	C-3:C-2:	C(CCC)2(CC)	C(CCC)2(CC)	C(CCC)(CRu)	C(CCC)2(CC)	C(CCC)2(CC)	C(CCC)(CRu)	117.1435	1.022	2	117.1435	1.044	2	118.3930	5.206	3	119.9524	4.449	7	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C-3:C-2:	C[6a]-3:C-3:C-2:	C-3:C-2:	C(C[6a]C[6a]2)(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CC[6a]C)(CC)	C(CC[6a]C)(CC[6a])	C(C[6a]C[6a]2)(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CC[6a]C)(CC)	C(CC[6a]C)(CC[6a])	120.2020	0.358	2	120.2020	0.128	2	121.1220	1.171	4	119.9524	4.449	7	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:2:	3:2:	C[6a]-3:C-3:C-2:	C[6a]-3:C-3:C-2:	C-3:C-2:	C(C[6a]C[6a]2)(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CC[6a]C)(CC)	C(CC[6a]C)(CSi)	C(C[6a]C[6a]2)(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CC[6a]C)(CC)	C(CC[6a]C)(CSi)	122.0420	0.020	2	122.0420	0.000	2	121.1220	1.171	4	119.9524	4.449	7	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:3:	2:3:	C-3:C-3:C-2:	C[6a]-3:C-3:C-3:	C-2:C-3:	C(CC[6a]C)(CC[6a]H)(CC)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a])(CCC)	C(CC[6a]C)(CC[6a]H)(CC)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CC[6a])(CCC)	115.7930	0.909	8	115.7930	0.826	8	116.1658	1.973	9	116.4035	2.319	10	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:3:	2:3:	C-3:C-3:C-2:	C[6a]-3:C-3:C-3:	C-2:C-3:	C(CC[6a]Co)(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CCoC)(CCC)	C(CC[6a])(CCC)	C(CC[6a]Co)(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CCoC)(CCC)	C(CC[6a])(CCC)	119.1480	0.000	1	119.1480	0.000	1	116.1658	1.973	9	116.4035	2.319	10	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:3:	2:3:	C-3:C-3:C-2:	S-3:C-3:C-3:	C-2:C-3:	C(CRuS)(CCS)(CC)	C(SRuC)(CCC)2	C(CC[6a])(CCC)	C(CRuS)(CCS)(CC)	C(SRuC)(CCC)2	C(CC[6a])(CCC)	118.5430	0.000	1	118.5430	0.000	1	118.5430	0.000	1	116.4035	2.319	10	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:3:	3:1:	C-3:C-3:C-2:	C-3:C-3:C-3:	C-3:N-1:	C(CCC)2(CN)	C(CC[6a]C)(CCC)(CHS)	C(CCC)(N)	C(CCC)2(CN)	C(CC[6a]C)(CCC)(CHS)	C(CCC)(N)	120.7100	0.000	1	120.7100	0.000	1	115.0100	15.085	4	118.9541	8.413	43	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:3:	3:1:	C-3:C-3:C-2:	C-3:C-3:C-3:	C-3:N-1:	C(CC[6a]C)(CCC)(CN)	C(CC[6a]C)(CCC)2	C(CCC)(N)	C(CC[6a]C)(CCC)(CN)	C(CC[6a]C)(CCC)2	C(CCC)(N)	113.1100	0.984	3	113.1100	0.968	3	115.0100	15.085	4	118.9541	8.413	43	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:3:	3:1:	C-3:C-3:C-2:	C-3:C-3:N-3:	C-3:N-1:	C(CC[6a]C)(CCN)(CN)	C(CCC)2(NHH)	C(CCC)(N)	C(CC[6a]C)(CCN)(CN)	C(CCC)2(NHH)	C(CCC)(N)	115.0630	0.000	1	115.0630	0.000	1	115.0630	0.000	1	118.9541	8.413	43	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:3:	3:1:	C-3:C-3:C-2:	C[5]-3:C[6a]-3:C-3:	C-3:N-1:	C(CC[6a]C[5])(COO)(CN)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCC)	C(CCC)(N)	C(CC[6a]C[5])(COO)(CN)	C(C[5]Se[5]C[5])(C[6a]C[6a]2)(CCC)	C(CCC)(N)	121.9860	0.000	1	121.9860	0.000	1	121.9860	0.000	1	118.9541	8.413	43	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:3:	3:1:	C-3:C-3:C-2:	C[6a]-3:C-3:C-3:	C-3:N-1:	C(CC[6a]C)(CCC)(CN)	C(C[6a]C[6a]2)(CCC)2	C(CCC)(N)	C(CC[6a]C)(CCC)(CN)	C(C[6a]C[6a]2)(CCC)2	C(CCC)(N)	122.1857	1.780	4	122.1857	3.169	4	119.2111	11.574	15	118.9541	8.413	43	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:3:	3:1:	C-3:C-3:C-2:	C[6a]-3:C-3:C-3:	C-3:N-1:	C(CC[6a]C)(CCH)(CN)	C(C[6a]C[6a]2)(CCC)2	C(CCC)(N)	C(CC[6a]C)(CCH)(CN)	C(C[6a]C[6a]2)(CCC)2	C(CCC)(N)	119.9320	1.854	2	119.9320	3.437	2	119.2111	11.574	15	118.9541	8.413	43	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:3:	3:1:	C-3:C-3:C-2:	C[6a]-3:C-3:C-3:	C-3:N-1:	C(CC[6a]C)(CCN)(CN)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CCC)(N)	C(CC[6a]C)(CCN)(CN)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CCC)(N)	121.2050	0.000	1	121.2050	0.000	1	119.2111	11.574	15	118.9541	8.413	43	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:3:	3:1:	C-3:C-3:C-2:	C[6a]-3:C-3:C-3:	C-3:N-1:	C(CC[6a]C)(CRuC)(CN)	C(C[6a]C[6a]2)(CCC)2	C(CCC)(N)	C(CC[6a]C)(CRuC)(CN)	C(C[6a]C[6a]2)(CCC)2	C(CCC)(N)	116.4080	0.000	1	116.4080	0.000	1	119.2111	11.574	15	118.9541	8.413	43	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:3:	3:1:	C-3:C-3:C-2:	C[6a]-3:C-3:C-3:	C-3:N-1:	C(CC[6a]C)(CRuN)(CN)	C(C[6a]C[6a]2)(CCC)2	C(CCC)(N)	C(CC[6a]C)(CRuN)(CN)	C(C[6a]C[6a]2)(CCC)2	C(CCC)(N)	122.2360	0.000	1	122.2360	0.000	1	119.2111	11.574	15	118.9541	8.413	43	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:3:	3:1:	C-3:C-3:C-2:	C[6a]-3:C-3:C-3:	C-3:N-1:	C(CC[6a]C)2(CN)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CCC)(N)	C(CC[6a]C)2(CN)	C(C[6a]C[6a]2)(CCC)(CCH)	C(CCC)(N)	119.2133	1.400	3	119.2133	1.960	3	119.2111	11.574	15	118.9541	8.413	43	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:3:	3:1:	C-3:C-3:C-2:	C[6a]-3:C-3:C-3:	C-3:N-1:	C(CC[6a]C)2(CN)	C(C[6a]C[6a]2)(CCC)2	C(CCC)(N)	C(CC[6a]C)2(CN)	C(C[6a]C[6a]2)(CCC)2	C(CCC)(N)	114.0237	1.874	3	114.0237	3.512	3	119.2111	11.574	15	118.9541	8.413	43	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:3:	3:1:	C-3:C-3:C-2:	C[6a]-3:C-3:N-3:	C-3:N-1:	C(CC[6a]N)(COO)(CN)	C(C[6a]C[6a]2)(CCC)(NCH)	C(CCC)(N)	C(CC[6a]N)(COO)(CN)	C(C[6a]C[6a]2)(CCC)(NCH)	C(CCC)(N)	119.5960	0.519	2	119.5960	0.269	2	119.5960	0.269	2	118.9541	8.413	43	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:3:	3:1:	C-3:N-3:C-2:	C[6a]-3:N-3:C-3:	C-3:N-1:	C(CC[6a]N)(NOO)(CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCN)	C(CCN)(N)	C(CC[6a]N)(NOO)(CN)	C(C[6a]C[6a]2)(NC[6a]H)(CCN)	C(CCN)(N)	121.7880	0.000	1	121.7880	0.000	1	121.7880	0.000	1	118.9541	8.413	43	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:3:	3:1:	C[5]-3:C-3:C-2:	C[6]-3:C-3:C-3:	C-3:N-1:	C(C[5]S[5]2)(CC[6]C)(CN)	C(C[6]C[6]2)(CC[5]C)(CCC)	C(CC[5]C)(N)	C(C[5]S[5]2)(CC[6]C)(CN)	C(C[6]C[6]2)(CC[5]C)(CCC)	C(CC[5]C)(N)	119.9120	0.000	1	119.9120	0.000	1	119.9120	0.000	1	118.9541	8.413	43	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:3:	3:1:	C[5a]-3:C-3:C-2:	C-3:C-3:C-3:	C-3:N-1:	C(C[5a]C[5a]S[5a])(CCC)(CN)	C(CC[5a]C)(CC[6a]O)(COO)	C(CC[5a]C)(N)	C(C[5a]C[5a]S[5a])(CCC)(CN)	C(CC[5a]C)(CC[6a]O)(COO)	C(CC[5a]C)(N)	119.7270	0.000	1	119.7270	0.000	1	119.7270	0.000	1	118.9541	8.413	43	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C-3:C-3:N-3:	C-3:N-1:	C(C[6a]C[6a]2)(CCN)(CN)	C(CC[6a]C)2(NCH)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CCN)(CN)	C(CC[6a]C)2(NCH)	C(CC[6a]C)(N)	117.8890	0.000	1	117.8890	0.000	1	117.8890	0.000	1	118.9541	8.413	43	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C-3:N-3:N-3:	C-3:N-1:	C(C[6a]C[6a]2)(CNN)(CN)	C(CC[6a]C)(NCH)2	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CNN)(CN)	C(CC[6a]C)(NCH)2	C(CC[6a]C)(N)	118.3780	0.000	1	118.3780	0.000	1	118.3780	0.000	1	118.9541	8.413	43	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C-3:N-3:	C-3:N-1:	C(C[6a]C[6a]N[6a])(CC[6a]N)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(NHH)	C(CC[6a]C)(N)	C(C[6a]C[6a]N[6a])(CC[6a]N)(CN)	C(C[6a]C[6a]2)(CC[6a]C)(NHH)	C(CC[6a]C)(N)	118.4925	0.209	2	118.4925	0.044	2	118.4925	0.044	2	118.9541	8.413	43	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CC[6a]2)(CN)	C(C[6a]C[6a]2)2(CC[6a]C)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[6a]2)(CN)	C(C[6a]C[6a]2)2(CC[6a]C)	C(CC[6a]C)(N)	119.2310	0.794	12	119.2310	0.630	12	119.2310	0.630	12	118.9541	8.413	43	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:3:	3:1:	S-3:C-3:C-2:	C-3:C-3:C-3:	C-3:N-1:	C(SC[6a]O)(CCC)(CN)	C(CCS)(COO)2	C(CCS)(N)	C(SC[6a]O)(CCC)(CN)	C(CCS)(COO)2	C(CCS)(N)	125.1260	0.000	1	125.1260	0.000	1	125.1260	0.000	1	118.9541	8.413	43	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:3:	3:2:	C-3:C-3:C-2:	C[6a]-3:C-3:C-3:	C-3:C-2:	C(CC[6a]C)(CCC)(CC)	C(C[6a]C[6a]2)(CCC)2	C(CCC)(CRu)	C(CC[6a]C)(CCC)(CC)	C(C[6a]C[6a]2)(CCC)2	C(CCC)(CRu)	117.0540	0.000	1	117.0540	0.000	1	117.0540	0.000	1	117.0540	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:3:	3:3:	C[6a]-3:C-3:C-2:	C-3:C-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CCC)(CC)	C(CC[6a]C)(CHN)(COO)	C(CC[6a]C)2	C(C[6a]C[6a]2)(CCC)(CC)	C(CC[6a]C)(CHN)(COO)	C(CC[6a]C)2	121.5390	0.000	1	121.5390	0.000	1	121.5390	0.000	1	122.2335	0.965	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:3:	3:3:	N-3:C-3:C-2:	N-3:C-3:C-3:	C-3:C-3:	C(NFeC)(CCN)(CC)	C(NFeC)(CCH)(CCN)	C(CCH)(CCN)	C(NFeC)(CCN)(CC)	C(NFeC)(CCH)(CCN)	C(CCH)(CCN)	122.9280	0.000	1	122.9280	0.000	1	122.9280	0.000	1	122.2335	0.965	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:3:4:	3:3:	B[5]-3:C-3:C-2:	C[6a]-3:C-3:C-4:	C[6a]-3:C-3:	C(B[5]O[5]2)(CC[6a]C)(CC[6a])	C(C[6a]C[6a]2)(CB[5]C)(CC3)	C(C[6a]C[6a]2)(CB[5]C)	C(B[5]O[5]2)(CC[6a]C)(CC[6a])	C(C[6a]C[6a]2)(CB[5]C)(CC3)	C(C[6a]C[6a]2)(CB[5]C)	125.6620	0.000	1	125.6620	0.000	1	125.6620	0.000	1	125.6620	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:4:1:	3:1:	C[5a]-3:C-3:C-2:	C-3:C-4:O-1:	C-3:N-1:	C(C[5a]C[5a]N[5a])(CCO)(CN)	C(CC[5a]C)(CC3)(O)	C(CC[5a]C)(N)	C(C[5a]C[5a]N[5a])(CCO)(CN)	C(CC[5a]C)(CC3)(O)	C(CC[5a]C)(N)	122.5890	0.000	1	122.5890	0.000	1	121.4480	2.604	2	120.2130	5.878	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:4:1:	3:1:	C[5a]-3:C-3:C-2:	C-3:C-4:O-1:	C-3:N-1:	C(C[5a]C[5a]S[5a])(CCO)(CN)	C(CC[5a]C)(CCHH)(O)	C(CC[5a]C)(N)	C(C[5a]C[5a]S[5a])(CCO)(CN)	C(CC[5a]C)(CCHH)(O)	C(CC[5a]C)(N)	120.3070	0.000	1	120.3070	0.000	1	121.4480	2.604	2	120.2130	5.878	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:4:1:	3:1:	C[6a]-3:C-3:C-2:	C-3:C-4:I-1:	C-3:N-1:	C(C[6a]C[6a]2)(CCI)(CN)	C(CC[6a]C)(CH3)(I)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CCI)(CN)	C(CC[6a]C)(CH3)(I)	C(CC[6a]C)(N)	117.7430	0.000	1	117.7430	0.000	1	117.7430	0.000	1	120.2130	5.878	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:4:1:	3:2:	C[6a]-3:C-3:C-2:	C-3:C-4:H-1:	C-3:C-2:	C(C[6a]C[6a]2)(CCH)(CC)	C(CC[6a]C)(CCHH)(H)	C(CC[6a]C)(CC[6a])	C(C[6a]C[6a]2)(CCH)(CC)	C(CC[6a]C)(CCHH)(H)	C(CC[6a]C)(CC[6a])	119.4785	0.484	2	119.4785	0.235	2	119.5932	0.271	4	119.5932	0.271	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:4:1:	3:2:	C[6a]-3:C-3:C-2:	C-3:C-4:H-1:	C-3:C-2:	C(C[6a]C[6a]2)(CCH)(CC)	C(CC[6a]C)(CCHH)(H)	C(CC[6a]C)(CH)	C(C[6a]C[6a]2)(CCH)(CC)	C(CC[6a]C)(CCHH)(H)	C(CC[6a]C)(CH)	119.1950	0.000	1	119.1950	0.000	1	119.5932	0.271	4	119.5932	0.271	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:4:1:	3:2:	C[6a]-3:C-3:C-2:	C-3:C-4:H-1:	C-3:C-2:	C(C[6a]C[6a]2)(CCH)(CC)	C(CC[6a]C)(CCHH)(H)	C(CC[6a]C)(CSi)	C(C[6a]C[6a]2)(CCH)(CC)	C(CC[6a]C)(CCHH)(H)	C(CC[6a]C)(CSi)	120.2210	0.000	1	120.2210	0.000	1	119.5932	0.271	4	119.5932	0.271	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:4:1:	3:3:	C[6a]-3:C-3:C-2:	C-3:C-4:O-1:	C-3:C-3:	C(C[6a]C[6a]2)(CCO)(CC)	C(CC[6a]C)(CH3)(O)	C(CC[6a]C)(CHH)	C(C[6a]C[6a]2)(CCO)(CC)	C(CC[6a]C)(CH3)(O)	C(CC[6a]C)(CHH)	119.0860	0.000	1	119.0860	0.000	1	119.0860	0.000	1	119.0860	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:4:2:	3:1:	C[6a]-3:C-3:C-2:	C-3:C-4:O-2:	C-3:N-1:	C(C[6a]C[6a]2)(CCO)(CN)	C(CC[6a]C)(CH3)(OH)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CCO)(CN)	C(CC[6a]C)(CH3)(OH)	C(CC[6a]C)(N)	115.0045	0.071	2	115.0045	0.005	2	115.0045	0.005	2	115.0045	0.005	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:4:3:	2:3:	C-3:C-3:C-2:	C[6a]-3:C-4:C-3:	C-2:C-3:	C(CC[6a]C)(CCC)(CC)	C(C[6a]C[6a]2)(CHHN)(CCC)	C(CC[6a])(CCC)	C(CC[6a]C)(CCC)(CC)	C(C[6a]C[6a]2)(CHHN)(CCC)	C(CC[6a])(CCC)	121.0000	0.000	1	121.0000	0.000	1	121.0000	0.000	1	121.0000	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:4:3:	3:1:	C-3:C-3:C-2:	N-3:C-4:C-3:	C-3:N-1:	C(CCN)(CCO)(CN)	C(NC[6a]Ni)(CH3)(CCC)	C(CCC)(N)	C(CCN)(CCO)(CN)	C(NC[6a]Ni)(CH3)(CCC)	C(CCC)(N)	117.8870	1.427	2	117.8870	2.036	2	117.3441	0.390	11	119.0186	8.333	16	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:4:3:	3:1:	C-3:C-3:C-2:	N-3:C-4:C-3:	C-3:N-1:	C(CCN)2(CN)	C(NC[6a]H)(CH3)(CCC)	C(CCC)(N)	C(CCN)2(CN)	C(NC[6a]H)(CH3)(CCC)	C(CCC)(N)	117.3427	0.215	6	117.3427	0.046	6	117.3441	0.390	11	119.0186	8.333	16	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:4:3:	3:1:	C-3:C-3:C-2:	N-3:C-4:C-3:	C-3:N-1:	C(CCN)2(CN)	C(NIrH)(CH3)(CCC)	C(CCC)(N)	C(CCN)2(CN)	C(NIrH)(CH3)(CCC)	C(CCC)(N)	117.1485	0.704	2	117.1485	0.495	2	117.3441	0.390	11	119.0186	8.333	16	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:4:3:	3:1:	C-3:C-3:C-2:	N-3:C-4:C-3:	C-3:N-1:	C(CCN)2(CN)	C(NZnH)(CH3)(CCC)	C(CCC)(N)	C(CCN)2(CN)	C(NZnH)(CH3)(CCC)	C(CCC)(N)	116.6580	0.000	1	116.6580	0.000	1	117.3441	0.390	11	119.0186	8.333	16	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:4:3:	3:1:	C-3:C-3:C-2:	N[6]-3:C-4:C-3:	C-3:N-1:	C(CN[6]C)(COO)(CN)	C(N[6]C[6]2)(CCHH)(CCC)	C(CCC)(N)	C(CN[6]C)(COO)(CN)	C(N[6]C[6]2)(CCHH)(CCC)	C(CCC)(N)	123.5583	1.608	4	123.5583	2.584	4	123.5583	2.584	4	119.0186	8.333	16	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:4:3:	3:1:	C[6a]-3:C-3:C-2:	C[6a]-3:C-4:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CC[6a]C)(CN)	C(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]C)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[6a]C)(CN)	C(C[6a]C[6a]2)(CC[6a]HH)(CC[6a]C)	C(CC[6a]C)(N)	119.2790	0.000	1	119.2790	0.000	1	119.2790	0.000	1	119.0186	8.333	16	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:4:3:	3:2:	B-3:C-3:C-2:	B-3:C-4:C-3:	C-3:C-2:	C(BC[5]N)(CBC)(CC)	C(BC[5]N)(CH3)(CBC)	C(CBC)(CC)	C(BC[5]N)(CBC)(CC)	C(BC[5]N)(CH3)(CBC)	C(CBC)(CC)	123.0040	0.000	1	123.0040	0.000	1	123.0040	0.000	1	120.8987	15.490	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:4:3:	3:2:	C-3:C-3:C-2:	N-3:C-4:C-3:	C-3:N-2:	C(CCN)2(CN)	C(NC[6a]H)(CH3)(CCC)	C(CCC)(NB)	C(CCN)2(CN)	C(NC[6a]H)(CH3)(CCC)	C(CCC)(NB)	116.3580	0.000	1	116.3580	0.000	1	116.3580	0.000	1	120.8987	15.490	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	3:4:3:	3:2:	N[5]-3:C-3:C-2:	C[6a]-3:Ge-4:C-3:	C-3:C-2:	C(N[5]C[5]2)(CC[6a]Ge)(CC)	C(C[6a]C[6a]2)(GeC[6a]3)(CN[5]C)	C(CN[5]C)(CC[6a])	C(N[5]C[5]2)(CC[6a]Ge)(CC)	C(C[6a]C[6a]2)(GeC[6a]3)(CN[5]C)	C(CN[5]C)(CC[6a])	123.3340	0.000	1	123.3340	0.000	1	123.3340	0.000	1	120.8987	15.490	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	4:3:1:	2:3:	C-3:N-3:C-2:	C[3]-4:C-3:H-1:	C-2:C-3:	C(CC[3]H)(NCS)(CC)	C(C[3]C[3]2H)(CCN)(H)	C(CC[6a])(CCN)	C(CC[3]H)(NCS)(CC)	C(C[3]C[3]2H)(CCN)(H)	C(CC[6a])(CCN)	124.3810	0.000	1	124.3810	0.000	1	124.3810	0.000	1	124.3810	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	4:3:1:	3:1:	C-3:C-3:C-2:	C-4:C-3:N-1:	C-3:N-1:	C(CCN)(CHO)(CN)	C(CC[6a]CH)(CCC)(N)	C(CCC)(N)	C(CCN)(CHO)(CN)	C(CC[6a]CH)(CCC)(N)	C(CCC)(N)	120.4055	1.029	2	120.4055	1.059	2	120.4055	1.059	2	119.7562	7.302	8	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	4:3:1:	3:1:	C-3:C-3:C-2:	C-4:C-3:O-1:	C-3:N-1:	C(CCO)(CHN)(CN)	C(CH3)(CCC)(O)	C(CCC)(N)	C(CCO)(CHN)(CN)	C(CH3)(CCC)(O)	C(CCC)(N)	119.3880	0.000	1	119.3880	0.000	1	116.6650	14.829	2	119.7562	7.302	8	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	4:3:1:	3:1:	C-3:C-3:C-2:	C-4:C-3:O-1:	C-3:N-1:	C(CC[5a]H)(CCO)(CN)	C(CH3)(CCC)(O)	C(CCC)(N)	C(CC[5a]H)(CCO)(CN)	C(CH3)(CCC)(O)	C(CCC)(N)	113.9420	0.000	1	113.9420	0.000	1	116.6650	14.829	2	119.7562	7.302	8	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	4:3:1:	3:1:	C[6]-3:C-3:C-2:	C[6]-4:C-3:O-1:	C-3:N-1:	C(C[6]C[6]N[6])(CC[6]O)(CN)	C(C[6]C[6]2Cr)(CC[6]C)(O)	C(CC[6]C)(N)	C(C[6]C[6]N[6])(CC[6]O)(CN)	C(C[6]C[6]2Cr)(CC[6]C)(O)	C(CC[6]C)(N)	122.8560	0.000	1	122.8560	0.000	1	122.8560	0.000	1	119.7562	7.302	8	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	4:3:1:	3:1:	C[6a]-3:C-3:C-2:	C[5]-4:C-3:H-1:	C-3:N-1:	C(C[6a]C[6a]2)(CC[5]H)(CN)	C(C[5]C[5]2Fe)(CC[6a]C)(H)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CC[5]H)(CN)	C(C[5]C[5]2Fe)(CC[6a]C)(H)	C(CC[6a]C)(N)	119.5490	0.861	2	119.5490	0.742	2	120.3510	2.300	3	119.7562	7.302	8	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	4:3:1:	3:1:	C[6a]-3:C-3:C-2:	C[5]-4:C-3:H-1:	C-3:N-1:	C(C[6a]C[6a]N[6a])(CC[5]H)(CN)	C(C[5]C[5]2Fe)(CC[6a]C)(H)	C(CC[6a]C)(N)	C(C[6a]C[6a]N[6a])(CC[5]H)(CN)	C(C[5]C[5]2Fe)(CC[6a]C)(H)	C(CC[6a]C)(N)	121.9550	0.000	1	121.9550	0.000	1	120.3510	2.300	3	119.7562	7.302	8	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	4:3:1:	3:2:	C-3:C-3:C-2:	C-4:C-3:H-1:	C-3:C-2:	C(CCH)2(CC)	C(CC[6a]HO)(CCC)(H)	C(CCC)(CC)	C(CCH)2(CC)	C(CC[6a]HO)(CCC)(H)	C(CCC)(CC)	120.1100	0.000	1	120.1100	0.000	1	120.1100	0.000	1	120.1100	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	4:3:2:	2:3:	C-3:C-3:C-2:	C-4:C-3:O-2:	C-2:C-3:	C(CCO)2(CC)	C(CH3)(CCC)(ORu)	C(CC[6a])(CCC)	C(CCO)2(CC)	C(CH3)(CCC)(ORu)	C(CC[6a])(CCC)	117.4397	1.447	3	117.4397	2.092	3	117.4397	2.092	3	117.4397	2.092	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	4:3:2:	3:1:	C-3:C-3:C-2:	C-4:C-3:N-2:	C-3:N-1:	C(CCN)(CHN)(CN)	C(CH3)(CCC)(NN)	C(CCC)(N)	C(CCN)(CHN)(CN)	C(CH3)(CCC)(NN)	C(CCC)(N)	119.2460	0.000	1	119.2460	0.000	1	119.2460	0.000	1	118.1771	1.292	36	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	4:3:2:	3:1:	C-3:C-3:C-2:	C-4:C-3:O-2:	C-3:N-1:	C(CCC)(CCO)(CN)	C(CCHH)(CCC)(OC)	C(CCC)(N)	C(CCC)(CCO)(CN)	C(CCHH)(CCC)(OC)	C(CCC)(N)	116.6970	0.000	1	116.6970	0.000	1	118.1466	1.296	35	118.1771	1.292	36	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	4:3:2:	3:1:	C-3:C-3:C-2:	C-4:C-3:O-2:	C-3:N-1:	C(CCN)(CCO)(CN)	C(CH3)(CCC)(ONi)	C(CCC)(N)	C(CCN)(CCO)(CN)	C(CH3)(CCC)(ONi)	C(CCC)(N)	117.5410	0.000	1	117.5410	0.000	1	118.1466	1.296	35	118.1771	1.292	36	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	4:3:2:	3:1:	C-3:C-3:C-2:	C-4:C-3:O-2:	C-3:N-1:	C(CCO)(CNO)(CN)	C(CCFF)(CCC)(OH)	C(CCC)(N)	C(CCO)(CNO)(CN)	C(CCFF)(CCC)(OH)	C(CCC)(N)	120.2410	0.387	2	120.2410	0.150	2	118.1466	1.296	35	118.1771	1.292	36	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	4:3:2:	3:1:	C-3:C-3:C-2:	C-4:C-3:O-2:	C-3:N-1:	C(CCO)(CNO)(CN)	C(CH3)(CCC)(OH)	C(CCC)(N)	C(CCO)(CNO)(CN)	C(CH3)(CCC)(OH)	C(CCC)(N)	118.5810	1.437	10	118.5810	2.064	10	118.1466	1.296	35	118.1771	1.292	36	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	4:3:2:	3:1:	C-3:C-3:C-2:	C-4:C-3:O-2:	C-3:N-1:	C(CCO)2(CN)	C(CH3)(CCC)(OCr)	C(CCC)(N)	C(CCO)2(CN)	C(CH3)(CCC)(OCr)	C(CCC)(N)	117.9656	0.662	17	117.9656	0.438	17	118.1466	1.296	35	118.1771	1.292	36	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	4:3:2:	3:1:	C-3:C-3:C-2:	C-4:C-3:O-2:	C-3:N-1:	C(CCO)2(CN)	C(CH3)(CCC)(OMg)	C(CCC)(N)	C(CCO)2(CN)	C(CH3)(CCC)(OMg)	C(CCC)(N)	117.6680	0.530	2	117.6680	0.281	2	118.1466	1.296	35	118.1771	1.292	36	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	4:3:2:	3:1:	C-3:C-3:C-2:	C-4:C-3:O-2:	C-3:N-1:	C(CCO)2(CN)	C(CH3)(CCC)(OPd)	C(CCC)(N)	C(CCO)2(CN)	C(CH3)(CCC)(OPd)	C(CCC)(N)	116.9240	0.952	2	116.9240	0.906	2	118.1466	1.296	35	118.1771	1.292	36	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	4:3:2:	3:3:	C[6a]-3:C-3:C-2:	P-4:C-3:C-2:	C-3:C-3:	C(C[6a]C[6a]2)(CCP)(CC)	C(PC[6a]2O)(CC[6a]C)(CC)	C(CC[6a]C)(CC[6a]P)	C(C[6a]C[6a]2)(CCP)(CC)	C(PC[6a]2O)(CC[6a]C)(CC)	C(CC[6a]C)(CC[6a]P)	123.1680	0.000	1	123.1680	0.000	1	123.1680	0.000	1	123.1680	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	4:3:3:	2:3:	C-3:C-3:C-2:	C-4:C-3:C-3:	C-2:C-3:	C(CC[6a]C)(CCC)(CC)	C(CCHH)(CCC)(CCH)	C(CC[6a])(CCC)	C(CC[6a]C)(CCC)(CC)	C(CCHH)(CCC)(CCH)	C(CC[6a])(CCC)	113.6010	0.000	1	113.6010	0.000	1	113.6010	0.000	1	116.4223	5.970	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	4:3:3:	2:3:	C-3:C-3:C-2:	C[5]-4:C-3:C-3:	C-2:C-3:	C(CC[5]C)(CCC)(CC)	C(C[5]C[5]2Fe)(CCC)2	C(CC[5])(CCC)	C(CC[5]C)(CCC)(CC)	C(C[5]C[5]2Fe)(CCC)2	C(CC[5])(CCC)	117.8550	0.000	1	117.8550	0.000	1	117.8550	0.000	1	116.4223	5.970	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	4:3:3:	2:3:	C-3:C-3:C-2:	Si-4:C-3:C-3:	C-2:C-3:	C(CC[6a]Zr)(CSiC)(CC)	C(SiC3)(CZrC)(CCC)	C(CC[6a])(CCC)	C(CC[6a]Zr)(CSiC)(CC)	C(SiC3)(CZrC)(CCC)	C(CC[6a])(CCC)	117.8110	0.000	1	117.8110	0.000	1	117.8110	0.000	1	116.4223	5.970	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	4:3:3:	3:1:	C-3:C-3:C-2:	C-4:C-3:N-3:	C-3:N-1:	C(CCN)(CSS)(CN)	C(CH3)(CCC)(NCH)	C(CCC)(N)	C(CCN)(CSS)(CN)	C(CH3)(CCC)(NCH)	C(CCC)(N)	116.3210	0.000	1	116.3210	0.000	1	116.3210	0.000	1	117.9550	4.515	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	4:3:3:	3:1:	C[6a]-3:C-3:C-2:	C-4:C-3:N-3:	C-3:N-1:	C(C[6a]C[6a]2)(CCN)(CN)	C(CC[6a]HH)(CC[6a]C)(NHH)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CCN)(CN)	C(CC[6a]HH)(CC[6a]C)(NHH)	C(CC[6a]C)(N)	120.3570	0.000	1	120.3570	0.000	1	118.7720	5.024	2	117.9550	4.515	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	4:3:3:	3:1:	C[6a]-3:C-3:C-2:	C-4:C-3:N-3:	C-3:N-1:	C(C[6a]C[6a]N[6a])(CCN)(CN)	C(CC[6a]HH)(CC[6a]C)(NHH)	C(CC[6a]C)(N)	C(C[6a]C[6a]N[6a])(CCN)(CN)	C(CC[6a]HH)(CC[6a]C)(NHH)	C(CC[6a]C)(N)	117.1870	0.000	1	117.1870	0.000	1	118.7720	5.024	2	117.9550	4.515	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	4:3:3:	3:3:	C[6a]-3:C-3:C-2:	C[5]-4:C-3:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(CC[5]C)(CC)	C(C[5]C[5]O[5]H)(CC[6a]C)(CCH)	C(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CC[5]C)(CC)	C(C[5]C[5]O[5]H)(CC[6a]C)(CCH)	C(CC[6a]C)(CCC)	122.8580	0.000	1	122.8580	0.000	1	122.8580	0.000	1	122.8580	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	4:3:4:	3:2:	C[6a]-3:C-3:C-2:	S-4:C-3:C-4:	C-3:C-2:	C(C[6a]C[6a]2)(CCS)(CC)	C(SC[6a]OO)(CC[6a]C)(CCHH)	C(CC[6a]C)(CC[6a])	C(C[6a]C[6a]2)(CCS)(CC)	C(SC[6a]OO)(CC[6a]C)(CCHH)	C(CC[6a]C)(CC[6a])	122.6225	0.595	4	122.6225	0.354	4	122.6225	0.354	4	122.6225	0.354	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	4:4:3:	2:3:	C-3:C-3:C-2:	C-4:C-4:C-3:	C-2:C-3:	C(CCC)(CCH)(CC)	C(CH3)2(CCC)	C(CC[6a])(CCC)	C(CCC)(CCH)(CC)	C(CH3)2(CCC)	C(CC[6a])(CCC)	120.0640	0.000	1	120.0640	0.000	1	120.0640	0.000	1	120.0640	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	4:4:3:	3:1:	C-3:C-3:C-2:	C-4:C-4:C-3:	C-3:N-1:	C(CN[5]O)(CCC)(CN)	C(CC[6a]CH)(CH3)(CCC)	C(CCC)(N)	C(CN[5]O)(CCC)(CN)	C(CC[6a]CH)(CH3)(CCC)	C(CCC)(N)	118.4700	0.000	1	118.4700	0.000	1	118.4700	0.000	1	115.6760	15.613	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:3:2:	4:4:3:	3:1:	C[6a]-3:C-3:C-2:	P-4:P-4:C-3:	C-3:N-1:	C(C[6a]C[6a]2)(CPP)(CN)	C(PC[6a]2Mn)2(CC[6a]C)	C(CC[6a]C)(N)	C(C[6a]C[6a]2)(CPP)(CN)	C(PC[6a]2Mn)2(CC[6a]C)	C(CC[6a]C)(N)	112.8820	0.000	1	112.8820	0.000	1	112.8820	0.000	1	115.6760	15.613	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:4:2:	3:2:3:	3:1:	C-3:C-4:C-2:	C[6a]-3:S-2:C-3:	C-3:N-1:	C(CC[6a]S)(CH3)(CN)	C(C[6a]C[6a]2)(SC[6a])(CCC)	C(CCC)(N)	C(CC[6a]S)(CH3)(CN)	C(C[6a]C[6a]2)(SC[6a])(CCC)	C(CCC)(N)	119.2020	1.673	2	119.2020	2.799	2	119.2020	2.799	2	118.7283	2.073	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:4:2:	3:2:3:	3:1:	C-3:Si-4:C-2:	C[6a]-3:S-2:C-3:	C-3:N-1:	C(CC[6a]S)(SiC3)(CN)	C(C[6a]C[6a]2)(SC[6a])(CSiC)	C(CSiC)(N)	C(CC[6a]S)(SiC3)(CN)	C(C[6a]C[6a]2)(SC[6a])(CSiC)	C(CSiC)(N)	117.7810	0.000	1	117.7810	0.000	1	117.7810	0.000	1	118.7283	2.073	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:4:2:	3:3:1:	2:3:	C-3:C-4:C-2:	C[6a]-3:C-3:H-1:	C-2:C-3:	C(CC[6a]H)(CCHH)(CC)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a])(CCC)	C(CC[6a]H)(CCHH)(CC)	C(C[6a]C[6a]2)(CCC)(H)	C(CC[6a])(CCC)	118.8760	0.000	1	118.8760	0.000	1	118.8760	0.000	1	118.8760	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:4:2:	3:3:1:	3:1:	C-3:C-4:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(CC[6a]H)(CBrHH)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(N)	C(CC[6a]H)(CBrHH)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(N)	121.4730	0.000	1	121.4730	0.000	1	122.7533	3.091	12	122.4706	3.873	13	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:4:2:	3:3:1:	3:1:	C-3:C-4:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(CC[6a]H)(CHHN)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(N)	C(CC[6a]H)(CHHN)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(N)	122.7977	0.262	3	122.7977	0.069	3	122.7533	3.091	12	122.4706	3.873	13	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:4:2:	3:3:1:	3:1:	C-3:C-4:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(CC[6a]H)(CHHO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(N)	C(CC[6a]H)(CHHO)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(N)	122.7770	2.517	6	122.7770	6.336	6	122.7533	3.091	12	122.4706	3.873	13	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:4:2:	3:3:1:	3:1:	C-3:C-4:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(CC[6a]H)(CHHS)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(N)	C(CC[6a]H)(CHHS)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(N)	123.2560	0.182	2	123.2560	0.033	2	122.7533	3.091	12	122.4706	3.873	13	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:4:2:	3:3:1:	3:1:	C-3:C-4:C-2:	C[6a]-3:C-3:I-1:	C-3:N-1:	C(CC[6a]I)(CH3)(CN)	C(C[6a]C[6a]2)(CCC)(I)	C(CCC)(N)	C(CC[6a]I)(CH3)(CN)	C(C[6a]C[6a]2)(CCC)(I)	C(CCC)(N)	119.0780	0.000	1	119.0780	0.000	1	119.0780	0.000	1	122.4706	3.873	13	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:4:2:	3:3:1:	3:2:	C-3:Si-4:C-2:	C[6a]-3:C-3:H-1:	C-3:C-2:	C(CC[6a]H)(SiC3)(CC)	C(C[6a]C[6a]2)(CSiC)(H)	C(CSiC)(CSi)	C(CC[6a]H)(SiC3)(CC)	C(C[6a]C[6a]2)(CSiC)(H)	C(CSiC)(CSi)	124.1590	0.000	1	124.1590	0.000	1	124.1590	0.000	1	120.9560	11.242	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:4:2:	3:3:1:	3:2:	C-3:Si-4:C-2:	C[6a]-3:C-3:O-1:	C-3:C-2:	C(CC[6a]O)(SiC3)(CC)	C(C[6a]C[6a]2)(CSiC)(O)	C(CSiC)(CC)	C(CC[6a]O)(SiC3)(CC)	C(C[6a]C[6a]2)(CSiC)(O)	C(CSiC)(CC)	119.3545	2.664	2	119.3545	7.095	2	119.3545	7.095	2	120.9560	11.242	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:4:2:	3:3:3:	2:3:	C-3:C-4:C-2:	C[6a]-3:C-3:C-3:	C-2:C-3:	C(CC[6a]C)(CH3)(CC)	C(C[6a]C[6a]2)(CCC)(CNO)	C(CC[6a])(CCC)	C(CC[6a]C)(CH3)(CC)	C(C[6a]C[6a]2)(CCC)(CNO)	C(CC[6a])(CCC)	120.7920	0.000	1	120.7920	0.000	1	120.7920	0.000	1	118.9530	6.764	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:4:2:	3:3:3:	2:3:	C-3:Si-4:C-2:	C[6a]-3:C[5]-3:C-3:	C-2:C-3:	C(CC[6a]C[5])(SiC3)(CC)	C(C[6a]C[6a]2)(C[5]N[5]2)(CSiC)	C(CC[6a])(CSiC)	C(CC[6a]C[5])(SiC3)(CC)	C(C[6a]C[6a]2)(C[5]N[5]2)(CSiC)	C(CC[6a])(CSiC)	117.1140	0.000	1	117.1140	0.000	1	117.1140	0.000	1	118.9530	6.764	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:4:2:	3:3:3:	3:1:	C-3:C-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:O-1:	C(CC[6a]2)(CCFF)(CO)	C(C[6a]C[6a]2)2(CCC)	C(CCC)(O)	C(CC[6a]2)(CCFF)(CO)	C(C[6a]C[6a]2)2(CCC)	C(CCC)(O)	122.0080	0.000	1	122.0080	0.000	1	122.0080	0.000	1	120.7400	1.620	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:4:2:	3:3:3:	3:1:	C-3:C-4:C-2:	N[5a]-3:C[6a]-3:C-3:	C-3:N-1:	C(CC[6a]N[5a])(CH3)(CN)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCC)	C(CCC)(N)	C(CC[6a]N[5a])(CH3)(CN)	C(N[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CCC)	C(CCC)(N)	120.7910	1.171	2	120.7910	1.371	2	120.7910	1.371	2	120.7400	1.620	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:4:2:	3:3:3:	3:1:	C-3:S-4:C-2:	C[6a]-3:C-3:C-3:	C-3:O-1:	C(CC[6a]C)(SC3)(CO)	C(C[6a]C[6a]2)(CC[6a]O)(CCS)	C(CCS)(O)	C(CC[6a]C)(SC3)(CO)	C(C[6a]C[6a]2)(CC[6a]O)(CCS)	C(CCS)(O)	119.3700	0.000	1	119.3700	0.000	1	119.3700	0.000	1	120.7400	1.620	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:4:2:	3:3:3:	3:2:	C-3:Si-4:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:C-2:	C(CC[6a]2)(SiC3)(CC)	C(C[6a]C[6a]2)2(CSiC)	C(CSiC)(CSi)	C(CC[6a]2)(SiC3)(CC)	C(C[6a]C[6a]2)2(CSiC)	C(CSiC)(CSi)	119.6290	0.000	1	119.6290	0.000	1	119.6290	0.000	1	119.6290	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:4:2:	3:4:3:	2:3:	C-3:C-4:C-2:	C[6a]-3:C-4:C-3:	C-2:C-3:	C(CC[6a]C)(CF3)(CC)	C(C[6a]C[6a]2)(CCHH)(CCC)	C(CC[6a])(CCC)	C(CC[6a]C)(CF3)(CC)	C(C[6a]C[6a]2)(CCHH)(CCC)	C(CC[6a])(CCC)	122.3440	0.000	1	122.3440	0.000	1	122.3440	0.000	1	122.3440	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	3:4:2:	4:3:3:	3:1:	C-3:Si-4:C-2:	C[6]-4:C-3:C-3:	C-3:O-1:	C(CC[6]C)(SiC3)(CO)	C(C[6]C[6]2Cr)(CC[3]O)(CSiC)	C(CSiC)(O)	C(CC[6]C)(SiC3)(CO)	C(C[6]C[6]2Cr)(CC[3]O)(CSiC)	C(CSiC)(O)	119.2720	0.154	2	119.2720	0.024	2	119.2720	0.024	2	119.2720	0.024	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:1:1:	2:3:	C-4:C-3:C-2:	C-3:F-1:F-1:	C-2:C-3:	C(CCHH)(CFF)(CC)	C(CCC)(F)2	C(CC[6a])(CCC)	C(CCHH)(CFF)(CC)	C(CCC)(F)2	C(CC[6a])(CCC)	118.8090	0.000	1	118.8090	0.000	1	118.8090	0.000	1	119.8274	1.830	5	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:1:1:	2:3:	C-4:C-3:C-2:	C-3:H-1:H-1:	C-2:C-3:	C(CCHH)(CHH)(CC)	C(CCC)(H)2	C(CC[6])(CCC)	C(CCHH)(CHH)(CC)	C(CCC)(H)2	C(CC[6])(CCC)	119.0320	0.000	1	119.0320	0.000	1	120.0820	2.008	4	119.8274	1.830	5	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:1:1:	2:3:	C-4:C-3:C-2:	C-3:H-1:H-1:	C-2:C-3:	C(CH3)(CHH)(CC)	C(CCC)(H)2	C(CC[6])(CCC)	C(CH3)(CHH)(CC)	C(CCC)(H)2	C(CC[6])(CCC)	121.3020	0.113	2	121.3020	0.013	2	120.0820	2.008	4	119.8274	1.830	5	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:1:1:	2:3:	C-4:C-3:C-2:	C-3:H-1:H-1:	C-2:C-3:	C(CH3)(CHH)(CC)	C(CCC)(H)2	C(CP[5])(CCC)	C(CH3)(CHH)(CC)	C(CCC)(H)2	C(CP[5])(CCC)	118.6920	0.000	1	118.6920	0.000	1	120.0820	2.008	4	119.8274	1.830	5	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:1:1:	3:1:	C-4:C-3:C-2:	C-3:H-1:H-1:	C-3:N-1:	C(CCHH)(CHH)(CN)	C(CCC)(H)2	C(CCC)(N)	C(CCHH)(CHH)(CN)	C(CCC)(H)2	C(CCC)(N)	118.8643	0.987	6	118.8643	0.974	6	119.4331	1.632	19	119.3069	1.765	21	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:1:1:	3:1:	C-4:C-3:C-2:	C-3:H-1:H-1:	C-3:N-1:	C(CC[4]HO)(CHH)(CN)	C(CCC)(H)2	C(CCC)(N)	C(CC[4]HO)(CHH)(CN)	C(CCC)(H)2	C(CCC)(N)	120.8910	0.000	1	120.8910	0.000	1	119.4331	1.632	19	119.3069	1.765	21	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:1:1:	3:1:	C-4:C-3:C-2:	C-3:H-1:H-1:	C-3:N-1:	C(CC[6a]C[5]H)(CHH)(CN)	C(CCC)(H)2	C(CCC)(N)	C(CC[6a]C[5]H)(CHH)(CN)	C(CCC)(H)2	C(CCC)(N)	119.0210	0.000	1	119.0210	0.000	1	119.4331	1.632	19	119.3069	1.765	21	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:1:1:	3:1:	C-4:C-3:C-2:	C-3:H-1:H-1:	C-3:N-1:	C(CC[6a]HN)(CHH)(CN)	C(CCC)(H)2	C(CCC)(N)	C(CC[6a]HN)(CHH)(CN)	C(CCC)(H)2	C(CCC)(N)	117.2985	1.095	2	117.2985	1.200	2	119.4331	1.632	19	119.3069	1.765	21	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:1:1:	3:1:	C-4:C-3:C-2:	C-3:H-1:H-1:	C-3:N-1:	C(CC[6a]HO)(CHH)(CN)	C(CCC)(H)2	C(CCC)(N)	C(CC[6a]HO)(CHH)(CN)	C(CCC)(H)2	C(CCC)(N)	120.5933	0.446	6	120.5933	0.199	6	119.4331	1.632	19	119.3069	1.765	21	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:1:1:	3:1:	C-4:C-3:C-2:	C-3:H-1:H-1:	C-3:N-1:	C(CN[5]HH)(CHH)(CN)	C(CCC)(H)2	C(CCC)(N)	C(CN[5]HH)(CHH)(CN)	C(CCC)(H)2	C(CCC)(N)	119.2555	0.903	2	119.2555	0.815	2	119.4331	1.632	19	119.3069	1.765	21	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:1:1:	3:1:	C-4:C-3:C-2:	C-3:H-1:H-1:	C-3:N-1:	C(CN[6]HH)(CHH)(CN)	C(CCC)(H)2	C(CCC)(N)	C(CN[6]HH)(CHH)(CN)	C(CCC)(H)2	C(CCC)(N)	119.4620	0.000	1	119.4620	0.000	1	119.4331	1.632	19	119.3069	1.765	21	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:1:1:	3:1:	C[5]-4:C-3:C-2:	C-3:H-1:H-1:	C-3:N-1:	C(C[5]C[5,6]C[5]O)(CHH)(CN)	C(CC[5]C)(H)2	C(CC[5]C)(N)	C(C[5]C[5,6]C[5]O)(CHH)(CN)	C(CC[5]C)(H)2	C(CC[5]C)(N)	116.9360	0.000	1	116.9360	0.000	1	118.1080	2.747	2	119.3069	1.765	21	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:1:1:	3:1:	C[5]-4:C-3:C-2:	C-3:H-1:H-1:	C-3:N-1:	C(C[5]C[5,6a]C[5]O)(CHH)(CN)	C(CC[5]C)(H)2	C(CC[5]C)(N)	C(C[5]C[5,6a]C[5]O)(CHH)(CN)	C(CC[5]C)(H)2	C(CC[5]C)(N)	119.2800	0.000	1	119.2800	0.000	1	118.1080	2.747	2	119.3069	1.765	21	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:1:1:	3:2:	C-4:C-3:C-2:	C-3:Br-1:Br-1:	C-3:C-2:	C(CCHH)(CBr2)(CC)	C(CCC)(Br)2	C(CCC)(CC)	C(CCHH)(CBr2)(CC)	C(CCC)(Br)2	C(CCC)(CC)	119.8085	0.435	2	119.8085	0.189	2	119.8085	0.189	2	121.4070	2.558	8	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:1:1:	3:2:	C-4:C-3:C-2:	C-3:H-1:H-1:	C-3:C-2:	C(CH3)(CHH)(CC)	C(CCC)(H)2	C(CCC)(CAu)	C(CH3)(CHH)(CC)	C(CCC)(H)2	C(CCC)(CAu)	123.2260	1.479	2	123.2260	2.188	2	122.3600	1.401	5	121.4070	2.558	8	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:1:1:	3:2:	C-4:C-3:C-2:	C-3:H-1:H-1:	C-3:C-2:	C(CH3)(CHH)(CC)	C(CCC)(H)2	C(CCC)(CB)	C(CH3)(CHH)(CC)	C(CCC)(H)2	C(CCC)(CB)	122.1710	0.112	2	122.1710	0.012	2	122.3600	1.401	5	121.4070	2.558	8	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:1:1:	3:2:	C-4:C-3:C-2:	C-3:H-1:H-1:	C-3:C-2:	C(CH3)(CHH)(CC)	C(CCC)(H)2	C(CCC)(CC)	C(CH3)(CHH)(CC)	C(CCC)(H)2	C(CCC)(CC)	121.0060	0.000	1	121.0060	0.000	1	122.3600	1.401	5	121.4070	2.558	8	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:1:1:	3:2:	C[5]-4:C-3:C-2:	C-3:H-1:H-1:	C-3:C-2:	C(C[5]C[5]2Fe)(CHH)(CC)	C(CC[5]C)(H)2	C(CC[5]C)(CC[5])	C(C[5]C[5]2Fe)(CHH)(CC)	C(CC[5]C)(H)2	C(CC[5]C)(CC[5])	119.8390	0.000	1	119.8390	0.000	1	119.8390	0.000	1	121.4070	2.558	8	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:2:1:	3:1:	C-4:C-3:C-2:	C-3:C-2:H-1:	C-3:H-1:	C(CH3)(CCH)(CH)	C(CCC)(COs)(H)	C(CCC)(H)	C(CH3)(CCH)(CH)	C(CCC)(COs)(H)	C(CCC)(H)	122.7380	0.000	1	122.7380	0.000	1	122.7380	0.000	1	121.1917	5.029	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:2:1:	3:1:	C[5]-4:C-3:C-2:	C-3:C-2:H-1:	C-3:N-1:	C(C[5]C[5]2Fe)(CCH)(CN)	C(CC[5]C)(CN)(H)	C(CC[5]C)(N)	C(C[5]C[5]2Fe)(CCH)(CN)	C(CC[5]C)(CN)(H)	C(CC[5]C)(N)	118.1670	0.000	1	118.1670	0.000	1	118.1670	0.000	1	121.1917	5.029	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:2:1:	3:1:	P-4:C-3:C-2:	C-3:O-2:O-1:	C-3:N-1:	C(PC[6a]3)(COO)(CN)	C(CCP)(OC)(O)	C(CCP)(N)	C(PC[6a]3)(COO)(CN)	C(CCP)(OC)(O)	C(CCP)(N)	120.8230	0.000	1	120.8230	0.000	1	120.8230	0.000	1	121.1917	5.029	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:2:1:	3:1:	S-4:C-3:C-2:	C-3:O-2:H-1:	C-3:N-1:	C(SC[6a]OO)(CHO)(CN)	C(CCS)(OC)(H)	C(CCS)(N)	C(SC[6a]OO)(CHO)(CN)	C(CCS)(OC)(H)	C(CCS)(N)	123.0390	0.000	1	123.0390	0.000	1	123.0390	0.000	1	121.1917	5.029	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:2:1:	3:2:	C-4:C-3:C-2:	C-3:C-2:H-1:	C-3:C-2:	C(CHHO)(CCH)(CC)	C(CCC)(CC)(H)	C(CCC)(CC)	C(CHHO)(CCH)(CC)	C(CCC)(CC)(H)	C(CCC)(CC)	123.0669	1.195	11	123.0669	1.428	11	123.0669	1.428	11	123.0669	1.428	11	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:2:1:	3:3:	C-4:C-3:C-2:	C-3:O-2:O-1:	C-3:C-3:	C(CCHH)(COO)(CC)	C(CCC)(OH)(O)	C(CC[6]H)(CCC)	C(CCHH)(COO)(CC)	C(CCC)(OH)(O)	C(CC[6]H)(CCC)	120.7200	0.000	1	120.7200	0.000	1	119.3500	2.036	4	119.3358	1.528	5	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:2:1:	3:3:	C-4:C-3:C-2:	C-3:O-2:O-1:	C-3:C-3:	C(CCHH)(COO)(CC)	C(CCC)(OH)(O)	C(CC[6a]H)(CCC)	C(CCHH)(COO)(CC)	C(CCC)(OH)(O)	C(CC[6a]H)(CCC)	118.2260	0.000	1	118.2260	0.000	1	119.3500	2.036	4	119.3358	1.528	5	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:2:1:	3:3:	C-4:C-3:C-2:	C-3:O-2:O-1:	C-3:C-3:	C(CC[6a]HH)(COO)(CC)	C(CCC)(OC)(O)	C(CC[5]H)(CCC)	C(CC[6a]HH)(COO)(CC)	C(CCC)(OC)(O)	C(CC[5]H)(CCC)	120.4390	0.000	1	120.4390	0.000	1	119.3500	2.036	4	119.3358	1.528	5	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:2:1:	3:3:	C-4:C-3:C-2:	C-3:O-2:O-1:	C-3:C-3:	C(CH3)(COO)(CC)	C(CCC)(OC)(O)	C(CCC)2	C(CH3)(COO)(CC)	C(CCC)(OC)(O)	C(CCC)2	118.0150	0.000	1	118.0150	0.000	1	119.3500	2.036	4	119.3358	1.528	5	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:2:1:	3:3:	C[5]-4:C-3:C-2:	C-3:O-2:O-1:	C-3:C-3:	C(C[5]C[5,6a]C[6a]C[5])(COO)(CC)	C(CC[5]C)(OC)(O)	C(CC[5]C)(CHH)	C(C[5]C[5,6a]C[6a]C[5])(COO)(CC)	C(CC[5]C)(OC)(O)	C(CC[5]C)(CHH)	119.2790	0.000	1	119.2790	0.000	1	119.2790	0.000	1	119.3358	1.528	5	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:2:2:	3:1:	C-4:C-3:C-2:	C-3:N-2:O-2:	C-3:N-1:	C(CCHH)(CNO)(CN)	C(CCC)(NC)(OC)	C(CCC)(N)	C(CCHH)(CNO)(CN)	C(CCC)(NC)(OC)	C(CCC)(N)	118.9720	0.000	1	118.9720	0.000	1	118.9720	0.000	1	120.3130	3.597	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:2:2:	3:1:	S-4:C-3:C-2:	C-3:N-2:S-2:	C-3:N-1:	C(SC[6a]OO)(CNS)(CN)	C(CCS)(NC)(SC)	C(CCS)(N)	C(SC[6a]OO)(CNS)(CN)	C(CCS)(NC)(SC)	C(CCS)(N)	121.6540	0.000	1	121.6540	0.000	1	121.6540	0.000	1	120.3130	3.597	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:3:1:	2:3:	C-4:C-3:C-2:	C-3:C-3:H-1:	C-2:C-3:	C(CH3)(CCH)(CC)	C(CCC)(CCH)(H)	C(CC[6])(CCC)	C(CH3)(CCH)(CC)	C(CCC)(CCH)(H)	C(CC[6])(CCC)	118.9410	0.528	2	118.9410	0.278	2	118.9410	0.278	2	120.3820	5.779	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:3:1:	2:3:	Si-4:C-3:C-2:	C-3:C-3:Cl-1:	C-2:C-3:	C(SiC[6a]2C)(CClC)(CC)	C(CSiC)(CCH)(Cl)	C(CC[6a])(CSiC)	C(SiC[6a]2C)(CClC)(CC)	C(CSiC)(CCH)(Cl)	C(CC[6a])(CSiC)	119.7310	0.000	1	119.7310	0.000	1	119.7310	0.000	1	120.3820	5.779	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:3:1:	2:3:	Si-4:C-3:C-2:	C[6a]-3:C-3:H-1:	C-2:C-3:	C(SiC[6a]3)(CC[6a]H)(CC)	C(C[6a]C[6a]2)(CSiC)(H)	C(CC[6a])(CSiC)	C(SiC[6a]3)(CC[6a]H)(CC)	C(C[6a]C[6a]2)(CSiC)(H)	C(CC[6a])(CSiC)	123.9150	0.000	1	123.9150	0.000	1	123.9150	0.000	1	120.3820	5.779	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:3:1:	3:1:	C-4:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(CC[5]HH)(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(N)	C(CC[5]HH)(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(N)	122.4898	0.367	4	122.4898	0.134	4	122.6882	0.298	5	122.8727	3.290	9	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:3:1:	3:1:	C-4:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:N-1:	C(CC[6a]HH)(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(N)	C(CC[6a]HH)(CC[6a]H)(CN)	C(C[6a]C[6a]2)(CCC)(H)	C(CCC)(N)	123.4820	0.000	1	123.4820	0.000	1	122.6882	0.298	5	122.8727	3.290	9	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:3:1:	3:1:	C-4:C-3:C-2:	C[6a]-3:C-3:O-1:	C-3:N-1:	C(CC[6a]HP)(CC[6a]O)(CN)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(N)	C(CC[6a]HP)(CC[6a]O)(CN)	C(C[6a]C[6a]2)(CCC)(O)	C(CCC)(N)	122.4305	0.855	2	122.4305	0.731	2	122.4305	0.731	2	122.8727	3.290	9	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:3:1:	3:1:	S-4:C-3:C-2:	C-3:N-3:H-1:	C-3:N-1:	C(SCOO)(CHN)(CN)	C(CCS)(NHN)(H)	C(CCS)(N)	C(SCOO)(CHN)(CN)	C(CCS)(NHN)(H)	C(CCS)(N)	127.1080	0.000	1	127.1080	0.000	1	127.1080	0.000	1	122.8727	3.290	9	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:3:1:	3:1:	S-4:C-3:C-2:	N-3:C-3:S-1:	C-3:N-1:	C(SC[6a]OO)(CNS)(CN)	C(NC[6a]H)(CCS)(S)	C(CCS)(N)	C(SC[6a]OO)(CNS)(CN)	C(NC[6a]H)(CCS)(S)	C(CCS)(N)	120.4440	0.000	1	120.4440	0.000	1	120.4440	0.000	1	122.8727	3.290	9	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:3:1:	3:2:	C[5]-4:C-3:C-2:	C[6a]-3:C-3:H-1:	C-3:C-2:	C(C[5]C[5]2Fe)(CC[6a]H)(CC)	C(C[6a]C[6a]2)(CC[5]C)(H)	C(CC[5]C)(CC[6a])	C(C[5]C[5]2Fe)(CC[6a]H)(CC)	C(C[6a]C[6a]2)(CC[5]C)(H)	C(CC[5]C)(CC[6a])	123.1840	0.000	1	123.1840	0.000	1	123.1840	0.000	1	123.1840	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:3:1:	3:3:	C-4:C-3:C-2:	C-3:C-3:H-1:	C-3:C-3:	C(CC[6a]2O)(CCH)(CC)	C(CC[6a]2)(CCC)(H)	C(CC[6a]2)(CCC)	C(CC[6a]2O)(CCH)(CC)	C(CC[6a]2)(CCC)(H)	C(CC[6a]2)(CCC)	123.9340	0.000	1	123.9340	0.000	1	123.9340	0.000	1	122.0606	6.258	5	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:3:1:	3:3:	C-4:C-3:C-2:	C[6a]-3:C-3:O-1:	C-3:C-3:	C(CC[6a]2C)(CC[6a]O)(CC)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]2)(CCC)	C(CC[6a]2C)(CC[6a]O)(CC)	C(C[6a]C[6a]2)(CCC)(O)	C(CC[6a]2)(CCC)	121.7160	0.000	1	121.7160	0.000	1	121.7160	0.000	1	122.0606	6.258	5	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:3:1:	3:3:	C-4:C-3:C-2:	N-3:C-3:O-1:	C-3:C-3:	C(CC[6a]HH)(CNO)(CC)	C(NC[6a]C)(CCC)(O)	C(CCC)(CHH)	C(CC[6a]HH)(CNO)(CC)	C(NC[6a]C)(CCC)(O)	C(CCC)(CHH)	124.8760	0.000	1	124.8760	0.000	1	124.8760	0.000	1	122.0606	6.258	5	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:3:1:	3:3:	C[5]-4:C-3:C-2:	C[6a]-3:C-3:O-1:	C[5]-3:C-3:	C(C[5]C[5,6a]2C)(CC[6a]O)(CC[5])	C(C[6a]C[6a]2)(CC[5]C)(O)	C(C[5]C[5,6a]2)(CC[5]C)	C(C[5]C[5,6a]2C)(CC[6a]O)(CC[5])	C(C[6a]C[6a]2)(CC[5]C)(O)	C(C[5]C[5,6a]2)(CC[5]C)	119.8885	2.010	2	119.8885	4.041	2	119.8885	4.041	2	122.0606	6.258	5	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:3:2:	3:1:	C-4:C-3:C-2:	C-3:N-3:S-2:	C-3:N-1:	C(CCHH)(CNS)(CN)	C(CCC)(NHH)(SC)	C(CCC)(N)	C(CCHH)(CNS)(CN)	C(CCC)(NHH)(SC)	C(CCC)(N)	118.9900	0.000	1	118.9900	0.000	1	118.9900	0.000	1	121.1250	2.309	14	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:3:2:	3:1:	C-4:C-3:C-2:	C[5a]-3:C-3:O-2:	C-3:N-1:	C(CC[6a]HH)(CC[5a]O)(CN)	C(C[5a]C[5a,6a]C[5a])(CCC)(OC)	C(CCC)(N)	C(CC[6a]HH)(CC[5a]O)(CN)	C(C[5a]C[5a,6a]C[5a])(CCC)(OC)	C(CCC)(N)	118.6115	1.148	2	118.6115	1.317	2	118.6115	1.317	2	121.1250	2.309	14	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:3:2:	3:1:	S-4:C-3:C-2:	C-3:N-3:S-2:	C-3:N-1:	C(SC[6a]OO)(CNS)(CN)	C(CCS)(NCH)(SC)	C(CCS)(N)	C(SC[6a]OO)(CNS)(CN)	C(CCS)(NCH)(SC)	C(CCS)(N)	121.8573	1.120	3	121.8573	1.254	3	121.8573	1.254	3	121.1250	2.309	14	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:3:2:	3:1:	S-4:C-3:C-2:	N-3:C-3:S-2:	C-3:N-1:	C(SC[6a]OO)(CNS)(CN)	C(NC[6a]H)(CCS)(SC)	C(CCS)(N)	C(SC[6a]OO)(CNS)(CN)	C(NC[6a]H)(CCS)(SC)	C(CCS)(N)	121.7456	0.784	8	121.7456	0.615	8	121.7456	0.615	8	121.1250	2.309	14	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:3:2:	3:3:	P-4:C-3:C-2:	C[6a]-3:C-3:C-2:	C-3:C-3:	C(PC[6a]2O)(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CCP)(CC)	C(CC[6a]P)(CCP)	C(PC[6a]2O)(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CCP)(CC)	C(CC[6a]P)(CCP)	123.5370	0.000	1	123.5370	0.000	1	123.5370	0.000	1	123.5370	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:3:3:	2:3:	P-4:C-3:C-2:	C[6a]-3:C-3:C-3:	C-2:C-3:	C(PC[6a]3)(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CCP)(CHH)	C(CC[6a])(CCP)	C(PC[6a]3)(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CCP)(CHH)	C(CC[6a])(CCP)	121.6190	0.000	1	121.6190	0.000	1	121.6190	0.000	1	121.6190	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:3:3:	3:1:	As-4:C-3:C-2:	C-3:C-3:C-3:	C-3:N-1:	C(AsC[6a]3)(CCC)(CN)	C(CAsC)(CCH)(CCO)	C(CAsC)(N)	C(AsC[6a]3)(CCC)(CN)	C(CAsC)(CCH)(CCO)	C(CAsC)(N)	119.3610	0.000	1	119.3610	0.000	1	119.3610	0.000	1	120.0040	1.366	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:3:3:	3:1:	C-4:C-3:C-2:	C[6a]-3:C-3:N-3:	C-3:N-1:	C(CC[6a]HH)(CC[6a]N)(CN)	C(C[6a]C[6a]2)(CCC)(NHH)	C(CCC)(N)	C(CC[6a]HH)(CC[6a]N)(CN)	C(C[6a]C[6a]2)(CCC)(NHH)	C(CCC)(N)	119.4990	0.665	2	119.4990	0.442	2	119.4990	0.442	2	120.0040	1.366	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:3:3:	3:1:	C-4:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:	C-3:N-1:	C(CC[6a]HN)(CC[6a]2)(CN)	C(C[6a]C[6a]2)2(CCC)	C(CCC)(N)	C(CC[6a]HN)(CC[6a]2)(CN)	C(C[6a]C[6a]2)2(CCC)	C(CCC)(N)	121.6570	0.000	1	121.6570	0.000	1	121.6570	0.000	1	120.0040	1.366	4	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:4:1:	3:1:	C[5]-4:C-3:C-2:	C-3:C-4:H-1:	C-3:N-1:	C(C[5]C[5]2H)(CCH)(CN)	C(CC[5]C)(CH3)(H)	C(CC[5]C)(N)	C(C[5]C[5]2H)(CCH)(CN)	C(CC[5]C)(CH3)(H)	C(CC[5]C)(N)	117.2610	0.000	1	117.2610	0.000	1	117.2610	0.000	1	119.4920	9.955	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:4:1:	3:1:	C[6]-4:C-3:C-2:	C-3:C-4:O-1:	C-3:O-1:	C(C[6]O[6]2C)(CCO)(CO)	C(CC[6]C)(CC3)(O)	C(CC[6]C)(O)	C(C[6]O[6]2C)(CCO)(CO)	C(CC[6]C)(CC3)(O)	C(CC[6]C)(O)	121.7230	0.000	1	121.7230	0.000	1	121.7230	0.000	1	119.4920	9.955	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:4:1:	3:2:	Si-4:C-3:C-2:	C-3:C-4:H-1:	C-3:C-2:	C(SiC[6a]3)(CCH)(CC)	C(CSiC)(CC3)(H)	C(CSiC)(CC)	C(SiC[6a]3)(CCH)(CC)	C(CSiC)(CC3)(H)	C(CSiC)(CC)	124.0750	0.000	1	124.0750	0.000	1	122.0650	8.080	2	122.0650	8.080	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:4:1:	3:2:	Si-4:C-3:C-2:	C-3:C-4:H-1:	C-3:C-2:	C(SiC[6a]3)(CCH)(CC)	C(CSiC)(CH3)(H)	C(CSiC)(CC)	C(SiC[6a]3)(CCH)(CC)	C(CSiC)(CH3)(H)	C(CSiC)(CC)	120.0550	0.000	1	120.0550	0.000	1	122.0650	8.080	2	122.0650	8.080	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	3:4:3:	3:2:	C[5,5]-4:C-3:C-2:	C-3:Si-4:Ga-3:	C-3:C-2:	C(C[5,5]Ga[5,5,6]C[5,5,6]C)(CGaSi)(CC)	C(CC[5,5]C)(SiC3)(GaII)	C(CC[5,5]C)(CSi)	C(C[5,5]Ga[5,5,6]C[5,5,6]C)(CGaSi)(CC)	C(CC[5,5]C)(SiC3)(GaII)	C(CC[5,5]C)(CSi)	121.8350	0.000	2	121.8350	0.000	2	121.8350	0.000	2	121.8350	0.000	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	4:3:1:	3:1:	C-4:C-3:C-2:	C-4:C-3:H-1:	C-3:N-1:	C(CCHH)(CCH)(CN)	C(CH3)(CCC)(H)	C(CCC)(N)	C(CCHH)(CCH)(CN)	C(CH3)(CCC)(H)	C(CCC)(N)	117.7880	0.000	1	117.7880	0.000	1	117.9160	0.033	2	119.2090	5.032	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	4:3:1:	3:1:	C-4:C-3:C-2:	C-4:C-3:H-1:	C-3:N-1:	C(CH3)(CCH)(CN)	C(CCHH)(CCC)(H)	C(CCC)(N)	C(CH3)(CCH)(CN)	C(CCHH)(CCC)(H)	C(CCC)(N)	118.0440	0.000	1	118.0440	0.000	1	117.9160	0.033	2	119.2090	5.032	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	4:3:1:	3:1:	P-4:C-3:C-2:	C-4:C-3:O-1:	C-3:N-1:	C(PC[6a]3)(CCO)(CN)	C(CH3)(CCP)(O)	C(CCP)(N)	C(PC[6a]3)(CCO)(CN)	C(CH3)(CCP)(O)	C(CCP)(N)	121.7950	0.000	1	121.7950	0.000	1	121.7950	0.000	1	119.2090	5.032	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	4:3:1:	3:2:	C-4:C-3:C-2:	Si-4:C-3:H-1:	C-3:C-2:	C(CRu2C)(CSiH)(CC)	C(SiC3)(CCC)(H)	C(CCC)(CSi)	C(CRu2C)(CSiH)(CC)	C(SiC3)(CCC)(H)	C(CCC)(CSi)	120.3300	0.000	1	120.3300	0.000	1	120.3300	0.000	1	120.3300	0.000	1	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	4:3:1:	3:3:	C-4:C-3:C-2:	C-4:C-3:H-1:	C-3:C-3:	C(CCHH)(CCH)(CC)	C(CH3)(CCC)(H)	C(CCrC)(CCC)	C(CCHH)(CCH)(CC)	C(CH3)(CCC)(H)	C(CCrC)(CCC)	122.7500	0.000	1	122.7500	0.000	1	119.2820	24.054	2	119.8552	8.988	5	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	4:3:1:	3:3:	C-4:C-3:C-2:	C-4:C-3:H-1:	C-3:C-3:	C(CH3)(CCH)(CC)	C(CCCH)(CCC)(H)	C(CCC)2	C(CH3)(CCH)(CC)	C(CCCH)(CCC)(H)	C(CCC)2	115.8140	0.000	1	115.8140	0.000	1	119.2820	24.054	2	119.8552	8.988	5	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	4:3:1:	3:3:	C-4:C-3:C-2:	C-4:C-3:O-1:	C-3:C-3:	C(CC[6a]HO)(CCO)(CC)	C(CH3)(CCC)(O)	C(CC[6a]2)(CCC)	C(CC[6a]HO)(CCO)(CC)	C(CH3)(CCC)(O)	C(CC[6a]2)(CCC)	122.8660	0.000	1	122.8660	0.000	1	120.2373	5.401	3	119.8552	8.988	5	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	4:3:1:	3:3:	C-4:C-3:C-2:	C-4:C-3:O-1:	C-3:C-3:	C(CH3)(CCO)(CC)	C(CH3)(CCC)(O)	C(CCC)(CCH)	C(CH3)(CCO)(CC)	C(CH3)(CCC)(O)	C(CCC)(CCH)	118.9230	0.662	2	118.9230	0.438	2	120.2373	5.401	3	119.8552	8.988	5	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	4:3:2:	2:3:	C-4:C-3:C-2:	C-4:C-3:C-2:	C-2:C-3:	C(CCHH)(CCC)(CC)	C(CCHH)(CCC)(CC)	C(CC[6a])(CCC)	C(CCHH)(CCC)(CC)	C(CCHH)(CCC)(CC)	C(CC[6a])(CCC)	120.1440	0.000	1	120.1440	0.000	1	120.1440	0.000	1	119.4915	0.852	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	4:3:2:	2:3:	Si-4:C-3:C-2:	C-4:C-3:C-2:	C-2:C-3:	C(SiC3)(CCC)(CC)	C(CCHH)(CSiC)(CC)	C(CC[6a])(CSiC)	C(SiC3)(CCC)(CC)	C(CCHH)(CSiC)(CC)	C(CC[6a])(CSiC)	118.8390	0.000	1	118.8390	0.000	1	118.8390	0.000	1	119.4915	0.852	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	4:3:2:	3:1:	C-4:C-3:C-2:	C-4:C-3:S-2:	C-3:N-1:	C(CCHH)(CCS)(CN)	C(CCHH)(CCC)(SC)	C(CCC)(N)	C(CCHH)(CCS)(CN)	C(CCHH)(CCC)(SC)	C(CCC)(N)	118.0385	0.672	2	118.0385	0.452	2	118.0385	0.452	2	119.1843	4.165	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	4:3:2:	3:1:	Si-4:C-3:C-2:	Si-4:C-3:C-2:	C-3:O-1:	C(SiC3)(CSiC)(CO)	C(SiC3)(CSiC)(CC)	C(CSiC)(O)	C(SiC3)(CSiC)(CO)	C(SiC3)(CSiC)(CC)	C(CSiC)(O)	121.4760	0.000	1	121.4760	0.000	1	121.4760	0.000	1	119.1843	4.165	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	4:3:2:	3:2:	C-4:C-3:C-2:	C-4:C-3:C-2:	C-3:C-2:	C(CGa2Si)(CCC)(CC)	C(CGa2Si)(CCC)(CC)	C(CCC)(CSi)	C(CGa2Si)(CCC)(CC)	C(CGa2Si)(CCC)(CC)	C(CCC)(CSi)	115.3390	0.045	4	115.3390	0.002	4	115.3390	0.002	4	116.6220	8.232	5	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	4:3:2:	3:2:	C-4:C-3:C-2:	Si-4:C-3:C-2:	C-3:C-2:	C(CCHH)(CSiC)(CC)	C(SiC3)(CCC)(CC)	C(CCC)(CC)	C(CCHH)(CSiC)(CC)	C(SiC3)(CCC)(CC)	C(CCC)(CC)	121.7540	0.000	1	121.7540	0.000	1	121.7540	0.000	1	116.6220	8.232	5	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	4:3:2:	3:3:	C-4:C-3:C-2:	C-4:C-3:C-2:	C-3:C-3:	C(CCCH)(CCC)(CC)	C(CCCH)(CCC)(CC)	C(CCC)2	C(CCCH)(CCC)(CC)	C(CCCH)(CCC)(CC)	C(CCC)2	121.1250	0.000	1	121.1250	0.000	1	121.1250	0.000	1	121.7917	0.653	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	4:3:2:	3:3:	Si-4:C-3:C-2:	Si-4:C-3:C-2:	C-3:C-3:	C(SiC3)(CSiC)(CC)	C(SiC3)(CSiC)(CC)	C(CSiC)(CCC)	C(SiC3)(CSiC)(CC)	C(SiC3)(CSiC)(CC)	C(CSiC)(CCC)	121.5600	0.000	1	121.5600	0.000	1	122.1250	0.638	2	121.7917	0.653	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	4:3:2:	3:3:	Si-4:C-3:C-2:	Si-4:C-3:C-2:	C-3:C-3:	C(SiC3)(CSiC)(CC)	C(SiC3)(CSiC)(CO)	C(CC[6a]H)(CSiC)	C(SiC3)(CSiC)(CC)	C(SiC3)(CSiC)(CO)	C(CC[6a]H)(CSiC)	122.6900	0.000	1	122.6900	0.000	1	122.1250	0.638	2	121.7917	0.653	3	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	4:4:3:	3:2:	P-4:C-3:C-2:	B-4:C-4:C-3:	C-3:C-2:	C(PCCH)(CBC)(CC)	C(BC[6a]3)(CH3)(CCP)	C(CCP)(CC)	C(PCCH)(CBC)(CC)	C(BC[6a]3)(CH3)(CCP)	C(CCP)(CC)	127.6620	0.000	1	127.6620	0.000	1	125.6655	7.972	2	125.6655	7.972	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	983	0:SP2_SP1_SP2	C	C	C	4:3:2:	4:4:3:	3:2:	P-4:C-3:C-2:	B-4:C-4:C-3:	C-3:C-2:	C(PC[6a]3)(CBC)(CC)	C(BC[6a]3)(CCHH)(CCP)	C(CCP)(CC)	C(PC[6a]3)(CBC)(CC)	C(BC[6a]3)(CCHH)(CCP)	C(CCP)(CC)	123.6690	0.000	1	123.6690	0.000	1	125.6655	7.972	2	125.6655	7.972	2	121.1304	11.069	3487	121.1304	11.069	3487
930	930	984	0:SP2_SP-NON_SP2	C	C	Ga	3:4:4:	3:3:1:	3:3:1:1:	C-3:Ga-4:Si-4:	C[6a]-3:C-3:H-1:	C-3:O-3:Cl-1:Cl-1:	C(CC[6a]H)(GaCl2O)(SiC3)	C(C[6a]C[6a]2)(CGaSi)(H)	Ga(CSiC)(OCC)(Cl)2	C(CC[6a]H)(GaCl2O)(SiC3)	C(C[6a]C[6a]2)(CGaSi)(H)	Ga(CSiC)(OCC)(Cl)2	119.8397	5.407	3	119.8397	29.237	3	119.8397	29.237	3	119.8397	29.237	3	120.1335	15.596	10	120.1335	15.596	10
930	930	984	0:SP2_SP-NON_SP2	C	C	Ga	4:3:3:	3:3:3:	3:1:1:1:	Ga-4:C-3:C-3:	C-3:N-3:N-3:	C-3:Cl-1:Cl-1:Cl-1:	C(GaCl3)(CNN)2	C(CGaC)(NCC)2	Ga(CCC)(Cl)3	C(GaCl3)(CNN)2	C(CGaC)(NCC)2	Ga(CCC)(Cl)3	120.1548	5.173	4	120.1548	26.756	4	120.1548	26.756	4	120.1548	26.756	4	120.1335	15.596	10	120.1335	15.596	10
930	930	984	0:SP2_SP-NON_SP2	C	C	Ga	4:4:3:	3:2:2:	3:1:1:1:	P-4:Ga-4:C-3:	C-3:O-2:O-2:	C-3:Cl-1:Cl-1:Cl-1:	C(PC[6a]3)(GaCl3)(COO)	C(CGaP)(OC)2	Ga(CCP)(Cl)3	C(PC[6a]3)(GaCl3)(COO)	C(CGaP)(OC)2	Ga(CCP)(Cl)3	120.5460	0.000	1	120.5460	0.000	1	120.5460	0.000	1	120.5460	0.000	1	120.1335	15.596	10	120.1335	15.596	10
930	930	984	0:SP2_SP-NON_SP2	C	C	Ga	4:4:3:	3:3:2:	3:1:1:1:	P-4:Ga-4:C-3:	C-3:N-3:O-2:	C-3:Cl-1:Cl-1:Cl-1:	C(PC[6a]3)(GaCl3)(CNO)	C(CGaP)(NCC)(OC)	Ga(CCP)(Cl)3	C(PC[6a]3)(GaCl3)(CNO)	C(CGaP)(NCC)(OC)	Ga(CCP)(Cl)3	120.3255	1.059	2	120.3255	1.121	2	120.3255	1.121	2	120.3255	1.121	2	120.1335	15.596	10	120.1335	15.596	10
930	930	992	0:SP2_SP2_SP3	C	C	P	3:3:4:	3:3:1:	3:4:4:3:	P-3:C-3:P-4:	C[6]-3:C-3:H-1:	N-3:C-4:C-4:C-3:	C(PC[6a]Sn)(CC[6]H)(PCCN)	C(C[6]C[6]2)(CPP)(H)	P(NSiSn)(CH3)2(CCP)	C(PC[6a]Sn)(CC[6]H)(PCCN)	C(C[6]C[6]2)(CPP)(H)	P(NSiSn)(CH3)2(CCP)	116.6895	1.974	2	116.6895	3.895	2	116.6895	3.895	2	116.6895	3.895	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	3:4:1:	3:2:3:	3:2:2:1:	C-3:P-4:H-1:	C[6a]-3:O-2:C-3:	C-3:O-2:O-2:O-1:	C(CC[6a]O)(PO3)(H)	C(C[6a]C[6a]2)(ON[5])(CHP)	P(CCH)(OC)2(O)	C(CC[6a]O)(PO3)(H)	C(C[6a]C[6a]2)(ON[5])(CHP)	P(CCH)(OC)2(O)	126.7060	0.000	1	126.7060	0.000	1	126.7060	0.000	1	126.7060	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	3:4:1:	3:3:3:	3:4:4:3:	C-3:P-4:H-1:	C[6a]-3:N-3:C-3:	N-3:C-4:C-4:C-3:	C(CC[6a]N)(PCCN)(H)	C(C[6a]C[6a]2)(NC[6a]Ni)(CHP)	P(NC[6a]Ni)(CCCH)2(CCH)	C(CC[6a]N)(PCCN)(H)	C(C[6a]C[6a]2)(NC[6a]Ni)(CHP)	P(NC[6a]Ni)(CCCH)2(CCH)	124.5190	0.000	2	124.5190	0.000	2	124.5190	0.000	2	124.5190	0.000	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	3:4:1:	3:3:3:	4:4:4:3:	C-3:P-4:H-1:	C[6a]-3:C-3:C-3:	C-4:C-4:C-4:C-3:	C(CC[6a]C)(PC3)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CHP)	P(CH3)3(CCH)	C(CC[6a]C)(PC3)(H)	C(C[6a]C[6a]2)(CC[6a]C)(CHP)	P(CH3)3(CCH)	128.7950	0.000	1	128.7950	0.000	1	128.7950	0.000	1	128.7950	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	3:4:1:	3:4:3:	3:2:2:1:	C-3:P-4:H-1:	C[6a]-3:Ge-4:C-3:	C-3:O-2:O-2:O-1:	C(CC[6a]Ge)(PO3)(H)	C(C[6a]C[6a]2)(GeC[6a]3)(CHP)	P(CCH)(OC)2(O)	C(CC[6a]Ge)(PO3)(H)	C(C[6a]C[6a]2)(GeC[6a]3)(CHP)	P(CCH)(OC)2(O)	129.8840	0.000	1	129.8840	0.000	1	129.8840	0.000	1	129.8840	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	3:4:3:	3:1:1:	3:3:2:1:	C[6a]-3:P-4:C-3:	C-3:H-1:H-1:	C[6a]-3:C-3:O-2:O-1:	C(C[6a]C[6a]2)(PC[6a]OO)(CHH)	C(CC[6a]P)(H)2	P(C[6a]C[6a]2)(CC[6a]C)(OC)(O)	C(C[6a]C[6a]2)(PC[6a]OO)(CHH)	C(CC[6a]P)(H)2	P(C[6a]C[6a]2)(CC[6a]C)(OC)(O)	119.2540	0.000	1	119.2540	0.000	1	119.9253	0.370	3	119.9253	0.370	3	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	3:4:3:	3:1:1:	3:3:2:1:	C[6a]-3:P-4:C-3:	C-3:H-1:H-1:	C[6a]-3:C-3:O-2:O-1:	C(C[6a]C[6a]2)(PC[6a]OO)(CHH)	C(CC[6a]P)(H)2	P(C[6a]C[6a]2)(CC[6a]C)(OC[6])(O)	C(C[6a]C[6a]2)(PC[6a]OO)(CHH)	C(CC[6a]P)(H)2	P(C[6a]C[6a]2)(CC[6a]C)(OC[6])(O)	120.2610	0.253	2	120.2610	0.064	2	119.9253	0.370	3	119.9253	0.370	3	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	3:4:3:	3:2:1:	3:3:3:1:	C[6a]-3:P-4:C-3:	C-3:Se-2:H-1:	C[6a]-3:C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CSeH)	C(CC[6a]P)(SeC[6a])(H)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CSeH)	C(CC[6a]P)(SeC[6a])(H)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	122.5980	0.000	1	122.5980	0.000	1	122.5980	0.000	1	122.5980	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	3:4:3:	3:2:1:	3:3:3:3:	C[5]-3:P-4:C-3:	C-3:O-2:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(C[5]C[5]2)(PC[6a]3)(COO)	C(CC[5]P)(OC)(O)	P(C[6a]C[6a]2)3(CC[5]C)	C(C[5]C[5]2)(PC[6a]3)(COO)	C(CC[5]P)(OC)(O)	P(C[6a]C[6a]2)3(CC[5]C)	117.9510	2.703	2	117.9510	7.304	2	117.9510	7.304	2	117.9510	7.304	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	3:4:3:	3:3:1:	3:2:2:1:	C-3:P-4:C-3:	C-3:N-3:O-1:	C-3:O-2:O-2:O-1:	C(CC[6a]H)(PO3)(CNO)	C(CCP)(NHH)(O)	P(CCC)(OC)2(O)	C(CC[6a]H)(PO3)(CNO)	C(CCP)(NHH)(O)	P(CCC)(OC)2(O)	117.2697	0.480	3	117.2697	0.230	3	117.2697	0.230	3	117.6957	0.901	6	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	3:4:3:	3:3:1:	3:2:2:1:	C-3:P-4:C-3:	C[6a]-3:C-3:H-1:	C-3:O-2:O-2:O-1:	C(CC[6a]H)(PO3)(CNO)	C(C[6a]C[6a]2)(CCP)(H)	P(CCC)(OC)2(O)	C(CC[6a]H)(PO3)(CNO)	C(C[6a]C[6a]2)(CCP)(H)	P(CCC)(OC)2(O)	118.1217	1.216	3	118.1217	1.479	3	118.1217	1.479	3	117.6957	0.901	6	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	3:4:3:	3:3:1:	3:3:3:1:	C[6a]-3:P-4:C-3:	C-3:N-3:H-1:	C[6a]-3:C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CHN)	C(CC[6a]P)(NCH)(H)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CHN)	C(CC[6a]P)(NCH)(H)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	119.8330	0.648	2	119.8330	0.420	2	119.8330	0.420	2	119.8330	0.420	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	3:4:3:	3:3:1:	3:3:3:2:	C[6a]-3:P-4:C-3:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:N-2:	C(C[6a]C[6a]2)(PC[6a]2N)(CCH)	C(CC[6a]P)(COO)(H)	P(C[6a]C[6a]2)2(CC[6a]C)(NC)	C(C[6a]C[6a]2)(PC[6a]2N)(CCH)	C(CC[6a]P)(COO)(H)	P(C[6a]C[6a]2)2(CC[6a]C)(NC)	116.0650	0.000	1	116.0650	0.000	1	116.0650	0.000	1	116.0650	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	3:4:3:	3:3:2:	3:3:3:3:	C[6a]-3:P-4:C-3:	C-3:N-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a]3)(CNN)	C(CC[6a]P)(NC[6a]C)(NS)	P(C[6a]C[6a]2)3(CC[6a]C)	C(C[6a]C[6a]2)(PC[6a]3)(CNN)	C(CC[6a]P)(NC[6a]C)(NS)	P(C[6a]C[6a]2)3(CC[6a]C)	113.3870	0.000	1	113.3870	0.000	1	114.3733	2.608	3	114.3733	2.608	3	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	3:4:3:	3:3:2:	3:3:3:3:	C[6a]-3:P-4:C-3:	C-3:N-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a]3)(CNN)	C(CC[6a]P)(NC[6a]H)(NS)	P(C[6a]C[6a]2)3(CC[6a]C)	C(C[6a]C[6a]2)(PC[6a]3)(CNN)	C(CC[6a]P)(NC[6a]H)(NS)	P(C[6a]C[6a]2)3(CC[6a]C)	114.8665	1.938	2	114.8665	3.757	2	114.3733	2.608	3	114.3733	2.608	3	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	3:4:3:	3:4:1:	3:3:3:1:	C[6a]-3:P-4:C-3:	C-3:C-4:H-1:	C[6a]-3:C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CCH)	C(CC[6a]P)(CCCO)(H)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CCH)	C(CC[6a]P)(CCCO)(H)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	125.9710	0.000	1	125.9710	0.000	1	125.9710	0.000	1	122.4523	3.367	12	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	3:4:3:	3:4:1:	3:3:3:1:	C[6a]-3:P-4:C-3:	C-3:C-4:I-1:	C[6a]-3:C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	C(CC[6a]P)(CFHH)(I)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	C(CC[6a]P)(CFHH)(I)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	121.3792	1.372	5	121.3792	1.881	5	122.1325	2.353	11	122.4523	3.367	12	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	3:4:3:	3:4:1:	3:3:3:1:	C[6a]-3:P-4:C-3:	C-3:C-4:I-1:	C[6a]-3:C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	C(CC[6a]P)(CHHI)(I)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	C(CC[6a]P)(CHHI)(I)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	122.1740	1.400	2	122.1740	1.960	2	122.1325	2.353	11	122.4523	3.367	12	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	3:4:3:	3:4:1:	3:3:3:1:	C[6a]-3:P-4:C-3:	C-3:C-4:I-1:	C[6a]-3:C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	C(CC[6a]P)(CHHN)(I)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	C(CC[6a]P)(CHHN)(I)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	123.0532	1.613	4	123.0532	2.603	4	122.1325	2.353	11	122.4523	3.367	12	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	3:4:3:	4:3:1:	3:2:2:1:	C[6a]-3:P-4:C-3:	C-4:C-3:I-1:	C-3:O-2:O-2:O-1:	C(C[6a]C[6a]2)(PO3)(CCI)	C(CC[5]HO)(CC[6a]P)(I)	P(CC[6a]C)(OC)2(O)	C(C[6a]C[6a]2)(PO3)(CCI)	C(CC[5]HO)(CC[6a]P)(I)	P(CC[6a]C)(OC)2(O)	124.0500	0.000	1	124.0500	0.000	1	124.0500	0.000	1	124.0500	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	3:4:3:	4:3:1:	3:3:1:1:	C[6a]-3:P-4:C-3:	B-4:C-3:H-1:	C[6a]-3:C-3:H-1:H-1:	C(C[6a]C[6a]2)(PC[6a]HH)(CBH)	C(BC[6a]3)(CC[6a]P)(H)	P(C[6a]C[6a]2)(CC[6a]C)(H)2	C(C[6a]C[6a]2)(PC[6a]HH)(CBH)	C(BC[6a]3)(CC[6a]P)(H)	P(C[6a]C[6a]2)(CC[6a]C)(H)2	118.3180	0.000	1	118.3180	0.000	1	118.3180	0.000	1	118.3180	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	3:4:3:	4:3:1:	3:3:3:1:	C[6a]-3:P-4:C-3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:H-1:	C(C[6a]C[6a]2)(PC[6a]2H)(CBH)	C(BC[6a]3)(CC[6a]P)(H)	P(C[6a]C[6a]2)2(CC[6a]C)(H)	C(C[6a]C[6a]2)(PC[6a]2H)(CBH)	C(BC[6a]3)(CC[6a]P)(H)	P(C[6a]C[6a]2)2(CC[6a]C)(H)	115.7130	0.000	1	115.7130	0.000	1	115.7130	0.000	1	118.1765	12.138	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	3:4:3:	4:3:1:	3:3:3:1:	C[6a]-3:P-4:C-3:	C-4:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:O-1:	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	C(CN[5a]HH)(CC[6a]P)(I)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	C(C[6a]C[6a]2)(PC[6a]2O)(CCI)	C(CN[5a]HH)(CC[6a]P)(I)	P(C[6a]C[6a]2)2(CC[6a]C)(O)	120.6400	0.000	1	120.6400	0.000	1	120.6400	0.000	1	118.1765	12.138	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	3:4:3:	4:3:1:	3:3:3:3:	C[6a]-3:P-4:C-3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a]3)(CBH)	C(BC[6a]2C)(CC[6a]P)(H)	P(C[6a]C[6a]2)3(CC[6a]C)	C(C[6a]C[6a]2)(PC[6a]3)(CBH)	C(BC[6a]2C)(CC[6a]P)(H)	P(C[6a]C[6a]2)3(CC[6a]C)	119.1580	0.000	1	119.1580	0.000	1	114.8220	26.103	6	114.8220	26.103	6	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	3:4:3:	4:3:1:	3:3:3:3:	C[6a]-3:P-4:C-3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a]3)(CBH)	C(BC[6a]3)(CC[6a]P)(H)	P(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CC[6a]C)	C(C[6a]C[6a]2)(PC[6a]3)(CBH)	C(BC[6a]3)(CC[6a]P)(H)	P(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CC[6a]C)	109.2335	1.836	2	109.2335	3.372	2	114.8220	26.103	6	114.8220	26.103	6	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	3:4:3:	4:3:1:	3:3:3:3:	C[6a]-3:P-4:C-3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a]3)(CBH)	C(BC[6a]3)(CC[6a]P)(H)	P(C[6a]C[6a]2)3(CC[6a]C)	C(C[6a]C[6a]2)(PC[6a]3)(CBH)	C(BC[6a]3)(CC[6a]P)(H)	P(C[6a]C[6a]2)3(CC[6a]C)	117.1023	3.891	3	117.1023	15.139	3	114.8220	26.103	6	114.8220	26.103	6	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	3:4:3:	4:3:1:	3:3:3:4:	C[6a]-3:P-4:C-3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:C-4:	C(C[6a]C[6a]2)(PC[6a]2C)(CBH)	C(BC[6a]3)(CC[6a]P)(H)	P(C[6a]C[6a]2)2(CC[6a]C)(CCHH)	C(C[6a]C[6a]2)(PC[6a]2C)(CBH)	C(BC[6a]3)(CC[6a]P)(H)	P(C[6a]C[6a]2)2(CC[6a]C)(CCHH)	118.9780	0.000	1	118.9780	0.000	1	118.9780	0.000	1	118.9780	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	3:4:3:	4:3:1:	3:4:1:1:	C[6a]-3:P-4:C-3:	B-4:C-3:H-1:	C-3:C-4:Cl-1:Cl-1:	C(C[6a]C[6a]2)(PCl2C)(CBH)	C(BC[6a]3)(CC[6a]P)(H)	P(CC[6a]C)(CC3)(Cl)2	C(C[6a]C[6a]2)(PCl2C)(CBH)	C(BC[6a]3)(CC[6a]P)(H)	P(CC[6a]C)(CC3)(Cl)2	118.0470	0.000	1	118.0470	0.000	1	118.0470	0.000	1	118.0470	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	3:4:3:	4:3:1:	4:4:3:1:	C[6a]-3:P-4:C-3:	P-4:C-3:H-1:	C[6]-4:C[6]-4:C-3:S-1:	C(C[6a]C[6a]2)(PC[6]2S)(CHP)	C(PC[6a]2S)(CC[6a]P)(H)	P(C[6]C[6]2H)2(CC[6a]C)(S)	C(C[6a]C[6a]2)(PC[6]2S)(CHP)	C(PC[6a]2S)(CC[6a]P)(H)	P(C[6]C[6]2H)2(CC[6a]C)(S)	115.8320	0.000	1	115.8320	0.000	1	115.8320	0.000	1	115.8320	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	3:4:4:	3:3:3:	3:3:3:1:	C-3:P-4:C-4:	C[5a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(CC[5a]C[6a])(PC[6a]2O)(CHHN)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCP)	P(C[6a]C[6a]2)2(CCC)(O)	C(CC[5a]C[6a])(PC[6a]2O)(CHHN)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CCP)	P(C[6a]C[6a]2)2(CCC)(O)	127.3940	0.000	1	127.3940	0.000	1	127.3940	0.000	1	127.3940	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:2:3:	3:2:1:	3:3:3:3:	P-4:I-2:C-3:	C-3:O-2:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(IC[6a])(COO)	C(CIP)(OC)(O)	P(C[6a]C[6a]2)3(CCI)	C(PC[6a]3)(IC[6a])(COO)	C(CIP)(OC)(O)	P(C[6a]C[6a]2)3(CCI)	117.5400	0.000	1	117.5400	0.000	1	117.5400	0.000	1	117.5400	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	2:3:1:	3:3:3:3:	P-4:C-3:H-1:	O-2:C-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(COO)(H)	C(ON[6])(CHP)(O)	P(C[6a]C[6a]2)3(CCH)	C(PC[6a]3)(COO)(H)	C(ON[6])(CHP)(O)	P(C[6a]C[6a]2)3(CCH)	116.1890	0.000	1	116.1890	0.000	1	116.1890	0.000	1	116.1890	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	2:4:3:	3:3:3:3:	P-4:C-3:H-1:	N-2:C-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCN)(H)	C(NC[6a])(CH3)(CHP)	P(C[6a]C[6a]2)3(CCH)	C(PC[6a]3)(CCN)(H)	C(NC[6a])(CH3)(CHP)	P(C[6a]C[6a]2)3(CCH)	120.2223	2.497	3	120.2223	6.237	3	120.2223	6.237	3	120.2223	6.237	3	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	3:1:1:	3:3:3:1:	P-4:C-3:Cl-1:	C-3:Cl-1:H-1:	C[6a]-3:C[6a]-3:C-3:O-1:	C(PC[6a]2O)(CClH)(Cl)	C(CClP)(Cl)(H)	P(C[6a]C[6a]2)2(CClC)(O)	C(PC[6a]2O)(CClH)(Cl)	C(CClP)(Cl)(H)	P(C[6a]C[6a]2)2(CClC)(O)	118.8150	0.000	1	118.8150	0.000	1	118.8150	0.000	1	119.0315	0.094	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	3:1:1:	3:3:3:1:	P-4:C-3:H-1:	C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:O-1:	C(PC[6a]2O)(CHH)(H)	C(CHP)(H)2	P(C[6a]C[6a]2)2(CCH)(O)	C(PC[6a]2O)(CHH)(H)	C(CHP)(H)2	P(C[6a]C[6a]2)2(CCH)(O)	119.2480	0.000	1	119.2480	0.000	1	119.2480	0.000	1	119.0315	0.094	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	3:1:1:	3:4:3:1:	P-4:C-3:H-1:	C-3:H-1:H-1:	C[6a]-3:C-4:C-3:O-1:	C(PC[6a]CO)(CHH)(H)	C(CHP)(H)2	P(C[6a]C[6a]2)(CC3)(CCH)(O)	C(PC[6a]CO)(CHH)(H)	C(CHP)(H)2	P(C[6a]C[6a]2)(CC3)(CCH)(O)	120.2290	0.000	1	120.2290	0.000	1	121.4088	0.550	6	121.4088	0.550	6	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	3:1:1:	3:4:3:1:	P-4:C-3:H-1:	C-3:H-1:H-1:	C[6a]-3:C-4:C-3:O-1:	C(PC[6a]CO)(CHH)(H)	C(CHP)(H)2	P(C[6a]C[6a]2)(CCHH)(CCH)(O)	C(PC[6a]CO)(CHH)(H)	C(CHP)(H)2	P(C[6a]C[6a]2)(CCHH)(CCH)(O)	121.2920	0.000	1	121.2920	0.000	1	121.4088	0.550	6	121.4088	0.550	6	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	3:1:1:	3:4:3:1:	P-4:C-3:H-1:	C-3:H-1:H-1:	C[6a]-3:C-4:C-3:O-1:	C(PC[6a]CO)(CHH)(H)	C(CHP)(H)2	P(C[6a]C[6a]2)(CH3)(CCH)(O)	C(PC[6a]CO)(CHH)(H)	C(CHP)(H)2	P(C[6a]C[6a]2)(CH3)(CCH)(O)	121.7330	0.555	4	121.7330	0.308	4	121.4088	0.550	6	121.4088	0.550	6	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	3:1:1:	3:4:3:3:	P-4:C-3:H-1:	C-3:H-1:H-1:	C[6a]-3:B-4:C-3:C-3:	C(PC[6a]BC)(CHH)(H)	C(CHP)(H)2	P(C[6a]C[6a]2)(BC[6a]HH)(CCH)2	C(PC[6a]BC)(CHH)(H)	C(CHP)(H)2	P(C[6a]C[6a]2)(BC[6a]HH)(CCH)2	122.7490	1.018	2	122.7490	1.037	2	122.7490	1.037	2	122.7490	1.037	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	3:1:1:	4:3:3:2:	P-4:C-3:H-1:	C-3:H-1:H-1:	B-4:C-3:C-3:C-2:	C(PBCC)(CHH)(H)	C(CHP)(H)2	P(BI3)(CCH)2(CC)	C(PBCC)(CHH)(H)	C(CHP)(H)2	P(BI3)(CCH)2(CC)	123.4670	0.211	2	123.4670	0.044	2	123.4670	0.044	2	123.4670	0.044	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	3:1:1:	4:3:3:3:	P-4:C-3:H-1:	C-3:H-1:H-1:	B-4:C-3:C-3:C-3:	C(PBCC)(CHH)(H)	C(CHP)(H)2	P(BBr3)(CCH)3	C(PBCC)(CHH)(H)	C(CHP)(H)2	P(BBr3)(CCH)3	122.9040	0.139	3	122.9040	0.019	3	123.1442	0.135	6	123.0371	0.167	9	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	3:1:1:	4:3:3:3:	P-4:C-3:H-1:	C-3:H-1:H-1:	B-4:C-3:C-3:C-3:	C(PBCC)(CHH)(H)	C(CHP)(H)2	P(BCl3)(CCH)3	C(PBCC)(CHH)(H)	C(CHP)(H)2	P(BCl3)(CCH)3	123.3843	0.381	3	123.3843	0.145	3	123.1442	0.135	6	123.0371	0.167	9	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	3:1:1:	4:3:3:3:	P-4:C-3:H-1:	C-3:H-1:H-1:	C[6]-4:C-3:C-3:C-3:	C(PC[6]CC)(CHH)(H)	C(CHP)(H)2	P(C[6]C[6]2H)(CCH)3	C(PC[6]CC)(CHH)(H)	C(CHP)(H)2	P(C[6]C[6]2H)(CCH)3	122.8230	0.476	3	122.8230	0.227	3	122.8230	0.227	3	123.0371	0.167	9	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	3:1:1:	4:4:3:1:	P-4:C-3:F-1:	C-3:F-1:F-1:	C-4:C-4:C-3:S-1:	C(PCCS)(CFF)(F)	C(CFP)(F)2	P(CCCH)2(CCF)(S)	C(PCCS)(CFF)(F)	C(CFP)(F)2	P(CCCH)2(CCF)(S)	129.7220	0.000	1	129.7220	0.000	1	129.7220	0.000	1	129.7220	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	3:2:1:	3:3:3:3:	P-4:C-3:H-1:	C-3:O-2:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CHO)(H)	C(CHP)(OC)(H)	P(C[6a]C[6a]2)3(CCH)	C(PC[6a]3)(CHO)(H)	C(CHP)(OC)(H)	P(C[6a]C[6a]2)3(CCH)	124.4170	0.000	1	124.4170	0.000	1	124.4170	0.000	1	122.6720	6.090	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	3:2:1:	3:3:3:3:	P-4:C-3:H-1:	C-3:O-2:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(COO)(H)	C(CHP)(OC)(O)	P(C[6a]C[6a]2)3(CCH)	C(PC[6a]3)(COO)(H)	C(CHP)(OC)(O)	P(C[6a]C[6a]2)3(CCH)	120.9270	0.000	1	120.9270	0.000	1	120.9270	0.000	1	122.6720	6.090	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	3:3:1:	3:3:3:1:	P-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C-3:C-3:O-1:	C(PC[6a]CO)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CHP)(H)	P(C[6a]C[6a]2)(CCH)2(O)	C(PC[6a]CO)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CHP)(H)	P(C[6a]C[6a]2)(CCH)2(O)	122.6330	3.905	2	122.6330	15.246	2	122.6330	15.246	2	125.5443	33.051	3	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	3:3:1:	3:3:3:1:	P-4:C-3:H-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:S-1:	C(PC[6a]2S)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CHP)(H)	P(C[6a]C[6a]2)2(CCH)(S)	C(PC[6a]2S)(CC[6a]H)(H)	C(C[6a]C[6a]2)(CHP)(H)	P(C[6a]C[6a]2)2(CCH)(S)	131.3670	0.000	1	131.3670	0.000	1	131.3670	0.000	1	125.5443	33.051	3	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	3:3:1:	3:3:3:3:	P-4:C-3:H-1:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCH)(H)	C(CSiH)(CHP)(H)	P(C[6a]C[6a]2)3(CCH)	C(PC[6a]3)(CCH)(H)	C(CSiH)(CHP)(H)	P(C[6a]C[6a]2)3(CCH)	126.7140	0.000	1	126.7140	0.000	1	126.7140	0.000	1	120.6929	8.405	9	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	3:3:1:	3:3:3:3:	P-4:C-3:H-1:	C[5a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(CHP)(O)	P(C[6a]C[6a]2)3(CCH)	C(PC[6a]3)(CC[5a]O)(H)	C(C[5a]C[5a]S[5a])(CHP)(O)	P(C[6a]C[6a]2)3(CCH)	118.3100	0.000	1	118.3100	0.000	1	118.3100	0.000	1	120.6929	8.405	9	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	3:3:1:	3:3:3:3:	P-4:C-3:H-1:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHP)(O)	P(C[6a]C[6a]2)3(CCH)	C(PC[6a]3)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHP)(O)	P(C[6a]C[6a]2)3(CCH)	120.1731	1.976	7	120.1731	3.903	7	120.1731	3.903	7	120.6929	8.405	9	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	3:3:1:	3:3:4:3:	P-4:C-3:F-1:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-4:C-3:	C(PC[6a]2C)(CCH)(F)	C(CCH)(CFP)(H)	P(C[6a]C[6a]2)2(CH3)(CCF)	C(PC[6a]2C)(CCH)(F)	C(CCH)(CFP)(H)	P(C[6a]C[6a]2)2(CH3)(CCF)	128.4480	0.000	1	128.4480	0.000	1	128.4480	0.000	1	125.2650	4.728	4	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	3:3:1:	3:3:4:3:	P-4:C-3:F-1:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:B-4:C-3:	C(PC[6a]2B)(CC[6a]H)(F)	C(C[6a]C[6a]2)(CFP)(H)	P(C[6a]C[6a]2)2(BH3)(CCF)	C(PC[6a]2B)(CC[6a]H)(F)	C(C[6a]C[6a]2)(CFP)(H)	P(C[6a]C[6a]2)2(BH3)(CCF)	124.2040	0.582	3	124.2040	0.338	3	124.2040	0.338	3	125.2650	4.728	4	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	3:3:2:	3:3:2:1:	P-4:C-3:H-1:	C[6a]-3:C-3:S-2:	C[6a]-3:C-3:C-2:O-1:	C(PC[6a]CO)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CHP)(SC)	P(C[6a]C[6a]2)(CCH)(CC)(O)	C(PC[6a]CO)(CC[6a]S)(H)	C(C[6a]C[6a]2)(CHP)(SC)	P(C[6a]C[6a]2)(CCH)(CC)(O)	123.7205	0.371	2	123.7205	0.138	2	123.7205	0.138	2	123.7205	0.138	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	3:3:2:	3:3:3:3:	P-4:C-3:H-1:	C-3:C-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCO)(H)	C(CCC)(CHP)(OH)	P(C[6a]C[6a]2)3(CCH)	C(PC[6a]3)(CCO)(H)	C(CCC)(CHP)(OH)	P(C[6a]C[6a]2)3(CCH)	121.5610	0.706	2	121.5610	0.498	2	121.5610	0.498	2	124.2793	22.417	3	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	3:3:2:	3:3:3:3:	P-4:C-3:H-1:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:N-3:C-3:	C(PC[6a]2N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHP)(OZn)	P(C[6a]C[6a]2)2(NC[6a]Zn)(CCH)	C(PC[6a]2N)(CC[6a]O)(H)	C(C[6a]C[6a]2)(CHP)(OZn)	P(C[6a]C[6a]2)2(NC[6a]Zn)(CCH)	129.7160	0.000	1	129.7160	0.000	1	129.7160	0.000	1	124.2793	22.417	3	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	3:3:3:	3:3:3:3:	P-4:C-3:H-1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:N-3:C-3:	C(PC[6a]2N)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Al)(CHP)	P(C[6a]C[6a]2)2(NC[6a]Al)(CCH)	C(PC[6a]2N)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Al)(CHP)	P(C[6a]C[6a]2)2(NC[6a]Al)(CCH)	120.9830	1.381	3	120.9830	1.908	3	122.3180	8.401	4	122.3180	8.401	4	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	3:3:3:	3:3:3:3:	P-4:C-3:H-1:	C[6a]-3:N-3:C-3:	C[6a]-3:C[6a]-3:N-3:C-3:	C(PC[6a]2N)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Zn)(CHP)	P(C[6a]C[6a]2)2(NC[6a]Zn)(CCH)	C(PC[6a]2N)(CC[6a]N)(H)	C(C[6a]C[6a]2)(NC[6a]Zn)(CHP)	P(C[6a]C[6a]2)2(NC[6a]Zn)(CCH)	126.3230	0.000	1	126.3230	0.000	1	122.3180	8.401	4	122.3180	8.401	4	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	3:3:3:	4:4:4:3:	P-4:C-3:O-1:	N-3:C-3:C-3:	C-4:C-4:C-4:C-3:	C(PC3)(CCN)(O)	C(NC[6a]C)(CCO)(COP)	P(CCHH)3(CCO)	C(PC3)(CCN)(O)	C(NC[6a]C)(CCO)(COP)	P(CCHH)3(CCO)	123.5240	0.000	1	123.5240	0.000	1	123.5240	0.000	1	123.5240	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	3:4:1:	3:3:3:3:	P-4:C-3:Cl-1:	C-3:C-4:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCO)(Cl)	C(CClP)(CF3)(O)	P(C[6a]C[6a]2)3(CClC)	C(PC[6a]3)(CCO)(Cl)	C(CClP)(CF3)(O)	P(C[6a]C[6a]2)3(CClC)	115.9390	0.000	1	115.9390	0.000	1	115.9390	0.000	1	115.9390	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	3:4:3:	3:3:3:1:	P-4:C-3:H-1:	C[6a]-3:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:S-1:	C(PC[6a]2S)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[6]2S)(CHP)	P(C[6a]C[6a]2)2(CCH)(S)	C(PC[6a]2S)(CC[6a]P)(H)	C(C[6a]C[6a]2)(PC[6]2S)(CHP)	P(C[6a]C[6a]2)2(CCH)(S)	127.9110	0.000	1	127.9110	0.000	1	127.9110	0.000	1	127.9110	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	3:4:3:	3:3:3:3:	P-4:C-3:H-1:	N-3:C-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCN)(H)	C(NC[6a]H)(CH3)(CHP)	P(C[6a]C[6a]2)3(CCH)	C(PC[6a]3)(CCN)(H)	C(NC[6a]H)(CH3)(CHP)	P(C[6a]C[6a]2)3(CCH)	124.9820	0.000	1	124.9820	0.000	1	124.9820	0.000	1	124.9820	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	3:4:3:	3:3:4:3:	P-4:C-3:H-1:	C[6a]-3:C-4:C-3:	C[6a]-3:C[6a]-3:C-4:C-3:	C(PC[6a]2C)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CH3)(CHP)	P(C[6a]C[6a]2)2(CClHH)(CCH)	C(PC[6a]2C)(CC[6a]C)(H)	C(C[6a]C[6a]2)(CH3)(CHP)	P(C[6a]C[6a]2)2(CClHH)(CCH)	125.9310	0.000	1	125.9310	0.000	1	125.9310	0.000	1	125.9310	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	4:3:1:	3:2:2:1:	P-4:C-3:H-1:	C-4:C-3:H-1:	C-3:O-2:O-2:O-1:	C(PO3)(CCH)(H)	C(CC[5]CH)(CHP)(H)	P(CCH)(OC)2(O)	C(PO3)(CCH)(H)	C(CC[5]CH)(CHP)(H)	P(CCH)(OC)2(O)	125.4380	0.000	1	125.4380	0.000	1	122.9550	12.331	2	122.9550	12.331	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	4:3:1:	3:2:2:1:	P-4:C-3:H-1:	C-4:C-3:H-1:	C-3:O-2:O-2:O-1:	C(PO3)(CCH)(H)	C(CC[6a]HN)(CHP)(H)	P(CCH)(OC)2(O)	C(PO3)(CCH)(H)	C(CC[6a]HN)(CHP)(H)	P(CCH)(OC)2(O)	120.4720	0.000	1	120.4720	0.000	1	122.9550	12.331	2	122.9550	12.331	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	4:3:1:	3:3:3:1:	P-4:C-3:Br-1:	C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:O-1:	C(PC[6a]2O)(CCH)(Br)	C(CCCO)(CBrP)(H)	P(C[6a]C[6a]2)2(CBrC)(O)	C(PC[6a]2O)(CCH)(Br)	C(CCCO)(CBrP)(H)	P(C[6a]C[6a]2)2(CBrC)(O)	129.0210	0.000	1	129.0210	0.000	1	129.0210	0.000	1	125.4303	9.257	7	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	4:3:1:	3:3:3:1:	P-4:C-3:H-1:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:H-1:	C(PC[6a]2H)(CBH)(H)	C(BC[6a]2O)(CHP)(H)	P(C[6a]C[6a]2)2(CCH)(H)	C(PC[6a]2H)(CBH)(H)	C(BC[6a]2O)(CHP)(H)	P(C[6a]C[6a]2)2(CCH)(H)	122.4930	0.000	1	122.4930	0.000	1	122.4930	0.000	1	125.4303	9.257	7	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	4:3:1:	3:3:3:1:	P-4:C-3:H-1:	C-4:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:O-1:	C(PC[6a]2O)(CCI)(H)	C(CCHO)(CHP)(I)	P(C[6a]C[6a]2)2(CCH)(O)	C(PC[6a]2O)(CCI)(H)	C(CCHO)(CHP)(I)	P(C[6a]C[6a]2)2(CCH)(O)	128.3430	0.000	1	128.3430	0.000	1	128.3430	0.000	1	125.4303	9.257	7	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	4:3:1:	3:3:3:1:	P-4:C-3:H-1:	C[6]-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:O-1:	C(PC[6a]2O)(CC[6]H)(H)	C(C[6]C[6]2O)(CHP)(H)	P(C[6a]C[6a]2)2(CCH)(O)	C(PC[6a]2O)(CC[6]H)(H)	C(C[6]C[6]2O)(CHP)(H)	P(C[6a]C[6a]2)2(CCH)(O)	124.2360	0.000	1	124.2360	0.000	1	124.2360	0.000	1	125.4303	9.257	7	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	4:3:1:	3:3:3:1:	P-4:C-3:H-1:	P-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:O-1:	C(PC[6a]2O)(CHP)(H)	C(PC[6a]2O)(CHP)(H)	P(C[6a]C[6a]2)2(CCH)(O)	C(PC[6a]2O)(CHP)(H)	C(PC[6a]2O)(CHP)(H)	P(C[6a]C[6a]2)2(CCH)(O)	128.4900	0.000	1	128.4900	0.000	1	128.4900	0.000	1	125.4303	9.257	7	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	4:3:1:	3:3:3:1:	P-4:C-3:H-1:	P-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:Se-1:	C(PC[6a]2Se)(CHP)(H)	C(PC[6a]2Se)(CHP)(H)	P(C[6a]C[6a]2)2(CCH)(Se)	C(PC[6a]2Se)(CHP)(H)	C(PC[6a]2Se)(CHP)(H)	P(C[6a]C[6a]2)2(CCH)(Se)	122.7145	0.009	2	122.7145	0.000	2	122.7145	0.000	2	125.4303	9.257	7	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	4:3:1:	3:3:3:2:	P-4:C-3:H-1:	P-4:C-3:H-1:	C[6a]-3:C[6]-3:C-3:O-2:	C(PC[6a]C[6]O)(CHP)(H)	C(PC[6a]C[6]O)(CHP)(H)	P(C[6a]C[6a]2)(C[6]C[6]2)(CCH)(OZn)	C(PC[6a]C[6]O)(CHP)(H)	C(PC[6a]C[6]O)(CHP)(H)	P(C[6a]C[6a]2)(C[6]C[6]2)(CCH)(OZn)	109.3360	0.000	1	109.3360	0.000	1	109.3360	0.000	1	109.3360	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	4:3:1:	3:3:3:3:	P-4:C-3:H-1:	C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCH)(H)	C(CC3)(CHP)(H)	P(C[6a]C[6a]2)3(CCH)	C(PC[6a]3)(CCH)(H)	C(CC3)(CHP)(H)	P(C[6a]C[6a]2)3(CCH)	126.3860	0.000	1	126.3860	0.000	1	125.8560	0.212	3	124.4370	8.195	4	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	4:3:1:	3:3:3:3:	P-4:C-3:H-1:	C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCH)(H)	C(CH3)(CHP)(H)	P(C[6a]C[6a]2)3(CCH)	C(PC[6a]3)(CCH)(H)	C(CH3)(CHP)(H)	P(C[6a]C[6a]2)3(CCH)	125.5910	0.042	2	125.5910	0.002	2	125.8560	0.212	3	124.4370	8.195	4	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	4:3:1:	3:3:3:3:	P-4:C-3:H-1:	C[5]-4:C-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CC[5]O)(H)	C(C[5]C[5]2C)(CHP)(O)	P(C[6a]C[6a]2)3(CCH)	C(PC[6a]3)(CC[5]O)(H)	C(C[5]C[5]2C)(CHP)(O)	P(C[6a]C[6a]2)3(CCH)	120.1800	0.000	1	120.1800	0.000	1	120.1800	0.000	1	124.4370	8.195	4	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	4:3:1:	3:4:3:1:	P-4:C-3:H-1:	P-4:C-3:H-1:	C[6a]-3:C-4:C-3:O-1:	C(PC[6a]CO)(CHP)(H)	C(PC[6a]CO)(CHP)(H)	P(C[6a]C[6a]2)(CH3)(CCH)(O)	C(PC[6a]CO)(CHP)(H)	C(PC[6a]CO)(CHP)(H)	P(C[6a]C[6a]2)(CH3)(CCH)(O)	121.3745	0.859	4	121.3745	0.738	4	121.3745	0.738	4	121.3745	0.738	4	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	4:3:1:	4:4:3:1:	P-4:C-3:F-1:	C-4:C-3:F-1:	C-4:C-4:C-3:Se-1:	C(PSeCC)(CCF)(F)	C(CF3)(CFP)(F)	P(CCCH)2(CCF)(Se)	C(PSeCC)(CCF)(F)	C(CF3)(CFP)(F)	P(CCCH)2(CCF)(Se)	133.6020	0.000	1	133.6020	0.000	1	133.6020	0.000	1	133.6020	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	4:3:1:	4:4:4:3:	P-4:C-3:H-1:	B-4:C-3:H-1:	C-4:C-4:C-4:C-3:	C(PC3)(CBH)(H)	C(BC[6a]3)(CHP)(H)	P(CC3)3(CCH)	C(PC3)(CBH)(H)	C(BC[6a]3)(CHP)(H)	P(CC3)3(CCH)	128.3760	0.000	1	128.3760	0.000	1	128.3760	0.000	1	126.1150	10.224	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	4:3:1:	4:4:4:3:	P-4:C-3:H-1:	C-4:C-3:O-1:	C-4:C-4:C-4:C-3:	C(PC3)(CCO)(H)	C(CF3)(CHP)(O)	P(CC3)2(CH3)(CCH)	C(PC3)(CCO)(H)	C(CF3)(CHP)(O)	P(CC3)2(CH3)(CCH)	123.8540	0.000	1	123.8540	0.000	1	123.8540	0.000	1	126.1150	10.224	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	4:3:2:	3:3:3:3:	P-4:C-3:H-1:	C-4:C-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCO)(H)	C(CH3)(CHP)(OC)	P(C[6a]C[6a]2)3(CCH)	C(PC[6a]3)(CCO)(H)	C(CH3)(CHP)(OC)	P(C[6a]C[6a]2)3(CCH)	125.0640	0.000	1	125.0640	0.000	1	125.0640	0.000	1	125.0640	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	4:3:3:	3:3:3:3:	P-4:C-3:H-1:	C-4:C-3:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCN)(H)	C(CH3)(CHP)(NCH)	P(C[6a]C[6a]2)3(CCH)	C(PC[6a]3)(CCN)(H)	C(CH3)(CHP)(NCH)	P(C[6a]C[6a]2)3(CCH)	128.0805	0.402	2	128.0805	0.162	2	128.0805	0.162	2	128.0805	0.162	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:1:	4:4:3:	3:2:2:1:	P-4:C-3:H-1:	C-4:C-4:C-3:	C-3:O-2:O-2:O-1:	C(PO3)(CCC)(H)	C(CC[5]HH)(CH3)(CHP)	P(CCH)(OC)2(O)	C(PO3)(CCC)(H)	C(CC[5]HH)(CH3)(CHP)	P(CCH)(OC)2(O)	124.7240	0.000	1	124.7240	0.000	1	124.7240	0.000	1	124.7240	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:2:	3:2:1:	3:3:3:3:	P-4:C-3:C-2:	C-3:O-2:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(COO)(CN)	C(CCP)(OC)(O)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(COO)(CN)	C(CCP)(OC)(O)	P(C[6a]C[6a]2)3(CCC)	118.8030	0.000	1	118.8030	0.000	1	118.8030	0.000	1	117.1395	5.534	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:2:	3:2:1:	3:3:3:3:	P-4:C-3:S-2:	C-3:O-2:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(COO)(SC)	C(CPS)(OC)(O)	P(C[6a]C[6a]2)3(CCS)	C(PC[6a]3)(COO)(SC)	C(CPS)(OC)(O)	P(C[6a]C[6a]2)3(CCS)	115.4760	0.000	1	115.4760	0.000	1	115.4760	0.000	1	117.1395	5.534	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:2:	3:3:1:	3:3:3:3:	P-4:C-3:C-2:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCH)(COs)	C(CCH)(CCP)(H)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CCH)(COs)	C(CCH)(CCP)(H)	P(C[6a]C[6a]2)3(CCC)	116.7750	5.361	2	116.7750	28.743	2	120.4260	54.361	3	120.4260	54.361	3	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:2:	3:3:1:	3:3:3:3:	P-4:C-3:C-2:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCH)(COs)	C(COsC)(CCP)(H)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CCH)(COs)	C(COsC)(CCP)(H)	P(C[6a]C[6a]2)3(CCC)	127.7280	0.000	1	127.7280	0.000	1	120.4260	54.361	3	120.4260	54.361	3	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:2:	3:3:2:	3:3:3:1:	P-4:C-3:C-2:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-3:O-1:	C(PC[6a]2O)(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CCP)(CC)	P(C[6a]C[6a]2)2(CCC)(O)	C(PC[6a]2O)(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CCP)(CC)	P(C[6a]C[6a]2)2(CCC)(O)	120.0700	0.000	1	120.0700	0.000	1	120.0700	0.000	1	120.0700	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:2:	3:3:3:	3:3:3:3:	P-4:C-3:C-2:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CCP)(CHH)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CCP)(CHH)	P(C[6a]C[6a]2)3(CCC)	122.4200	0.000	1	122.4200	0.000	1	122.4200	0.000	1	122.4200	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:2:	4:3:1:	3:3:3:3:	P-4:C-3:C-2:	C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCH)(COs)	C(CCHH)(CCP)(H)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CCH)(COs)	C(CCHH)(CCP)(H)	P(C[6a]C[6a]2)3(CCC)	119.0620	0.000	1	119.0620	0.000	1	119.0620	0.000	1	121.0338	5.572	5	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:2:	4:3:1:	3:3:3:3:	P-4:C-3:C-2:	C-4:C-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCO)(CN)	C(CH3)(CCP)(O)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CCO)(CN)	C(CH3)(CCP)(O)	P(C[6a]C[6a]2)3(CCC)	117.9440	0.000	1	117.9440	0.000	1	117.9440	0.000	1	121.0338	5.572	5	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:2:	4:3:1:	3:3:3:3:	P-4:C-3:O-2:	C-4:C-3:H-1:	C-3:N-3:N-3:N-3:	C(PN3)(CCH)(OFe)	C(CFe2C)(COP)(H)	P(CCO)(NCC)3	C(PN3)(CCH)(OFe)	C(CFe2C)(COP)(H)	P(CCO)(NCC)3	122.3860	0.000	1	122.3860	0.000	1	122.3860	0.000	1	121.0338	5.572	5	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:2:	4:3:1:	3:3:3:3:	P-4:C-3:O-2:	C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCH)(OFe)	C(CFe2C)(COP)(H)	P(C[6a]C[6a]2)3(CCO)	C(PC[6a]3)(CCH)(OFe)	C(CFe2C)(COP)(H)	P(C[6a]C[6a]2)3(CCO)	122.8885	0.381	2	122.8885	0.145	2	122.8885	0.145	2	121.0338	5.572	5	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:2:	4:4:3:	3:3:3:3:	P-4:C-3:C-2:	B-4:C-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CBC)(CC)	C(BC[6a]3)(CCHH)(CCP)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CBC)(CC)	C(BC[6a]3)(CCHH)(CCP)	P(C[6a]C[6a]2)3(CCC)	123.3410	0.000	1	123.3410	0.000	1	123.3410	0.000	1	123.3410	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:2:	4:4:3:	4:4:3:1:	P-4:C-3:C-2:	B-4:C-4:C-3:	C-4:C-4:C-3:H-1:	C(PCCH)(CBC)(CC)	C(BC[6a]3)(CH3)(CCP)	P(CC3)2(CCC)(H)	C(PCCH)(CBC)(CC)	C(BC[6a]3)(CH3)(CCP)	P(CC3)2(CCC)(H)	123.8190	0.000	1	123.8190	0.000	1	123.8190	0.000	1	123.8190	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	2:3:1:	3:3:3:3:	P-4:C-3:C-3:	N-2:C-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CNO)(COO)	C(NC[6a])(CCP)(O)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CNO)(COO)	C(NC[6a])(CCP)(O)	P(C[6a]C[6a]2)3(CCC)	113.1860	0.000	1	113.1860	0.000	1	113.1860	0.000	1	113.1860	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	2:3:2:	3:2:2:1:	P-4:C-3:C-3:	N-2:C-3:O-2:	C-3:O-2:O-2:O-1:	C(PO3)(CNO)(COO)	C(NC[6a])(CCP)(OH)	P(CCC)(OC)2(O)	C(PO3)(CNO)(COO)	C(NC[6a])(CCP)(OH)	P(CCC)(OC)2(O)	119.1195	0.180	2	119.1195	0.033	2	119.1195	0.033	2	119.1195	0.033	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	2:3:3:	3:3:3:3:	P-4:C-3:C-3:	N-2:C-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCN)(COO)	C(NC[6a])(CCP)(COO)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CCN)(COO)	C(NC[6a])(CCP)(COO)	P(C[6a]C[6a]2)3(CCC)	114.4795	2.211	2	114.4795	4.889	2	114.4795	4.889	2	114.4795	4.889	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:1:1:	3:2:2:1:	P-4:C-3:N-3:	C-3:H-1:H-1:	C-3:O-2:O-2:O-1:	C(PO3)(CHH)(NCH)	C(CNP)(H)2	P(CCN)(OC)2(O)	C(PO3)(CHH)(NCH)	C(CNP)(H)2	P(CCN)(OC)2(O)	117.9040	2.017	2	117.9040	4.067	2	117.9040	4.067	2	117.9040	4.067	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:1:1:	3:3:3:1:	P-4:C-3:C-3:	C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:O-1:	C(PC[6a]2O)(CCC)(CHH)	C(CCP)(H)2	P(C[6a]C[6a]2)2(CCC)(O)	C(PC[6a]2O)(CCC)(CHH)	C(CCP)(H)2	P(C[6a]C[6a]2)2(CCC)(O)	121.9530	0.000	1	121.9530	0.000	1	121.7565	0.077	2	121.7565	0.077	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:1:1:	3:3:3:1:	P-4:C-3:C-3:	C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:O-1:	C(PC[6a]2O)(CC[6]S)(CHH)	C(CCP)(H)2	P(C[6a]C[6a]2)2(CCC)(O)	C(PC[6a]2O)(CC[6]S)(CHH)	C(CCP)(H)2	P(C[6a]C[6a]2)2(CCC)(O)	121.5600	0.000	1	121.5600	0.000	1	121.7565	0.077	2	121.7565	0.077	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:1:1:	3:3:3:3:	P-4:C-3:C-3:	C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCC)(CHH)	C(CCP)(H)2	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CCC)(CHH)	C(CCP)(H)2	P(C[6a]C[6a]2)3(CCC)	122.4230	0.000	1	122.4230	0.000	1	119.3515	18.868	2	118.4642	7.728	4	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:1:1:	3:3:3:3:	P-4:C-3:C-3:	C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCH)(CHH)	C(CCP)(H)2	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CCH)(CHH)	C(CCP)(H)2	P(C[6a]C[6a]2)3(CCC)	116.2800	0.000	1	116.2800	0.000	1	119.3515	18.868	2	118.4642	7.728	4	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:1:1:	3:3:3:3:	P-4:C-3:C-3:	C-3:H-1:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCH)(CHO)	C(CCP)(H)(O)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CCH)(CHO)	C(CCP)(H)(O)	P(C[6a]C[6a]2)3(CCC)	117.5770	1.080	2	117.5770	1.167	2	117.5770	1.167	2	118.4642	7.728	4	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:1:1:	4:4:4:3:	P-4:C-3:C-3:	C-3:H-1:H-1:	C-4:C-4:C-4:C-3:	C(PC3)(CCH)(CHH)	C(CCP)(H)2	P(CC[6a]HH)3(CCC)	C(PC3)(CCH)(CHH)	C(CCP)(H)2	P(CC[6a]HH)3(CCC)	116.6690	0.079	2	116.6690	0.006	2	116.6690	0.006	2	116.6690	0.006	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:2:1:	2:2:3:1:	P-4:C-3:C-3:	C-3:O-2:O-1:	O-2:O-2:C-3:O-1:	C(PO3)(CCC)(COO)	C(CCP)(OC)(O)	P(OC[6a])2(CCC)(O)	C(PO3)(CCC)(COO)	C(CCP)(OC)(O)	P(OC[6a])2(CCC)(O)	112.7470	0.000	1	112.7470	0.000	1	112.7470	0.000	1	112.7470	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:2:1:	3:2:2:1:	P-4:C-3:C-3:	C-3:O-2:O-1:	C-3:O-2:O-2:O-1:	C(PO3)(CCC)(COO)	C(CCP)(OC)(O)	P(CCC)(OC)2(O)	C(PO3)(CCC)(COO)	C(CCP)(OC)(O)	P(CCC)(OC)2(O)	113.4570	0.000	1	113.4570	0.000	1	119.9338	13.154	5	119.9338	13.154	5	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:2:1:	3:2:2:1:	P-4:C-3:C-3:	C-3:O-2:O-1:	C-3:O-2:O-2:O-1:	C(PO3)(CNO)(COO)	C(CCP)(OC)(O)	P(CCC)(OC)2(O)	C(PO3)(CNO)(COO)	C(CCP)(OC)(O)	P(CCC)(OC)2(O)	121.5530	0.244	4	121.5530	0.060	4	119.9338	13.154	5	119.9338	13.154	5	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:2:1:	3:3:2:3:	P-4:C-3:C-3:	C-3:O-2:O-1:	C[6a]-3:C[6a]-3:N-2:C-3:	C(PC[6a]2N)(CGeC)(COO)	C(CCP)(OC)(O)	P(C[6a]C[6a]2)2(NC[6a])(CCC)	C(PC[6a]2N)(CGeC)(COO)	C(CCP)(OC)(O)	P(C[6a]C[6a]2)2(NC[6a])(CCC)	116.7440	0.000	1	116.7440	0.000	1	116.1155	1.380	4	116.1155	1.380	4	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:2:1:	3:3:2:3:	P-4:C-3:C-3:	C-3:O-2:O-1:	C[6a]-3:C[6a]-3:N-2:C-3:	C(PC[6a]2N)(CSiC)(COO)	C(CCP)(OC)(O)	P(C[6a]C[6a]2)2(NC[6a])(CCC)	C(PC[6a]2N)(CSiC)(COO)	C(CCP)(OC)(O)	P(C[6a]C[6a]2)2(NC[6a])(CCC)	115.9320	0.000	1	115.9320	0.000	1	116.1155	1.380	4	116.1155	1.380	4	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:2:1:	3:3:2:3:	P-4:C-3:C-3:	C-3:O-2:O-1:	C[6a]-3:C[6a]-3:N-2:C-3:	C(PC[6a]2N)(CSnC)(COO)	C(CCP)(OC)(O)	P(C[6a]C[6a]2)2(NC[6a])(CCC)	C(PC[6a]2N)(CSnC)(COO)	C(CCP)(OC)(O)	P(C[6a]C[6a]2)2(NC[6a])(CCC)	115.8930	1.901	2	115.8930	3.613	2	116.1155	1.380	4	116.1155	1.380	4	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:2:1:	3:3:3:2:	P-4:C-3:C-3:	C-3:O-2:O-1:	C[6a]-3:C[6a]-3:C-3:N-2:	C(PC[6a]2N)(CSiC)(COO)	C(CCP)(OC)(O)	P(C[6a]C[6a]2)2(CCC)(NSi)	C(PC[6a]2N)(CSiC)(COO)	C(CCP)(OC)(O)	P(C[6a]C[6a]2)2(CCC)(NSi)	116.9690	0.000	1	116.9690	0.000	1	116.9690	0.000	1	116.9690	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:2:1:	3:3:3:3:	P-4:C-3:C-3:	C-3:O-2:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCC)(COO)	C(CCP)(OC)(O)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CCC)(COO)	C(CCP)(OC)(O)	P(C[6a]C[6a]2)3(CCC)	114.8590	0.000	1	114.8590	0.000	1	120.6235	10.988	20	120.6235	10.988	20	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:2:1:	3:3:3:3:	P-4:C-3:C-3:	C-3:O-2:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCN)(COO)	C(CCP)(OC)(O)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CCN)(COO)	C(CCP)(OC)(O)	P(C[6a]C[6a]2)3(CCC)	124.1595	5.277	2	124.1595	27.848	2	120.6235	10.988	20	120.6235	10.988	20	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:2:1:	3:3:3:3:	P-4:C-3:C-3:	C-3:O-2:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCO)(COO)	C(CCP)(OC)(O)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CCO)(COO)	C(CCP)(OC)(O)	P(C[6a]C[6a]2)3(CCC)	122.4608	2.458	4	122.4608	6.041	4	120.6235	10.988	20	120.6235	10.988	20	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:2:1:	3:3:3:3:	P-4:C-3:C-3:	C-3:O-2:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CC[5]O)(COO)	C(CCP)(OC)(O)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CC[5]O)(COO)	C(CCP)(OC)(O)	P(C[6a]C[6a]2)3(CCC)	122.2960	1.657	2	122.2960	2.747	2	120.6235	10.988	20	120.6235	10.988	20	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:2:1:	3:3:3:3:	P-4:C-3:C-3:	C-3:O-2:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CNO)(COO)	C(CCP)(OC)(O)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CNO)(COO)	C(CCP)(OC)(O)	P(C[6a]C[6a]2)3(CCC)	124.7310	0.000	1	124.7310	0.000	1	120.6235	10.988	20	120.6235	10.988	20	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:2:1:	3:3:3:3:	P-4:C-3:C-3:	C-3:O-2:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(COO)2	C(CCP)(OC)(O)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(COO)2	C(CCP)(OC)(O)	P(C[6a]C[6a]2)3(CCC)	119.0125	2.106	10	119.0125	4.434	10	120.6235	10.988	20	120.6235	10.988	20	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:3:1:	3:3:3:1:	P-4:C-3:N-3:	N-3:C-3:Cl-1:	C[6a]-3:C[6a]-3:C-3:S-1:	C(PC[6a]2S)(CClN)(NFeO)	C(NFeO)(CNP)(Cl)	P(C[6a]C[6a]2)2(CCN)(S)	C(PC[6a]2S)(CClN)(NFeO)	C(NFeO)(CNP)(Cl)	P(C[6a]C[6a]2)2(CCN)(S)	130.1370	0.000	1	130.1370	0.000	1	130.1370	0.000	1	130.1370	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:3:1:	3:3:3:3:	P-4:C-3:C-3:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCH)(CHH)	C(CC[6a]O)(CCP)(H)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CCH)(CHH)	C(CC[6a]O)(CCP)(H)	P(C[6a]C[6a]2)3(CCC)	114.3800	0.000	1	114.3800	0.000	1	119.9414	11.258	23	119.2699	13.782	33	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:3:1:	3:3:3:3:	P-4:C-3:C-3:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCH)(CHO)	C(CCP)2(H)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CCH)(CHO)	C(CCP)2(H)	P(C[6a]C[6a]2)3(CCC)	120.3760	0.075	2	120.3760	0.006	2	119.9414	11.258	23	119.2699	13.782	33	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:3:1:	3:3:3:3:	P-4:C-3:C-3:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(COsC)(CCH)	C(COsC)(CCP)(H)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(COsC)(CCH)	C(COsC)(CCP)(H)	P(C[6a]C[6a]2)3(CCC)	125.1420	5.261	2	125.1420	27.677	2	119.9414	11.258	23	119.2699	13.782	33	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:3:1:	3:3:3:3:	P-4:C-3:C-3:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(COsH)(CCH)	C(CCH)(CCP)(H)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(COsH)(CCH)	C(CCH)(CCP)(H)	P(C[6a]C[6a]2)3(CCC)	115.1667	0.489	3	115.1667	0.240	3	119.9414	11.258	23	119.2699	13.782	33	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:3:1:	3:3:3:3:	P-4:C-3:C-3:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(COsH)(CCH)	C(CClC)(CCP)(H)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(COsH)(CCH)	C(CClC)(CCP)(H)	P(C[6a]C[6a]2)3(CCC)	116.4760	0.000	1	116.4760	0.000	1	119.9414	11.258	23	119.2699	13.782	33	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:3:1:	3:3:3:3:	P-4:C-3:C-3:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(COsH)(CCH)	C(COsC)(CCP)(H)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(COsH)(CCH)	C(COsC)(CCP)(H)	P(C[6a]C[6a]2)3(CCC)	120.2234	1.120	12	120.2234	1.255	12	119.9414	11.258	23	119.2699	13.782	33	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:3:1:	3:3:3:3:	P-4:C-3:C-3:	C-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CRuH)(CCH)	C(CC[5]Ru)(CCP)(H)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CRuH)(CCH)	C(CC[5]Ru)(CCP)(H)	P(C[6a]C[6a]2)3(CCC)	124.2895	1.067	2	124.2895	1.139	2	119.9414	11.258	23	119.2699	13.782	33	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:3:1:	3:3:3:3:	P-4:C-3:C-3:	C-3:C-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCO)2	C(CC[6a]O)(CCP)(O)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CCO)2	C(CC[6a]O)(CCP)(O)	P(C[6a]C[6a]2)3(CCC)	119.8695	8.418	2	119.8695	70.865	2	120.3287	24.038	4	119.2699	13.782	33	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:3:1:	3:3:3:3:	P-4:C-3:C-3:	C-3:C-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CC[6a]O)(CCO)	C(CCO)(CCP)(O)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CC[6a]O)(CCO)	C(CCO)(CCP)(O)	P(C[6a]C[6a]2)3(CCC)	121.2380	0.000	1	121.2380	0.000	1	120.3287	24.038	4	119.2699	13.782	33	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:3:1:	3:3:3:3:	P-4:C-3:C-3:	C-3:C-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CIrH)(CCO)	C(CIrC)(CCP)(O)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CIrH)(CCO)	C(CIrC)(CCP)(O)	P(C[6a]C[6a]2)3(CCC)	120.3380	0.000	1	120.3380	0.000	1	120.3287	24.038	4	119.2699	13.782	33	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:3:1:	3:3:3:3:	P-4:C-3:C-3:	C[5]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CC[5]H)(COsH)	C(C[5]C[5]S[5])(CCP)(H)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CC[5]H)(COsH)	C(C[5]C[5]S[5])(CCP)(H)	P(C[6a]C[6a]2)3(CCC)	113.7320	0.000	1	113.7320	0.000	1	113.7320	0.000	1	119.2699	13.782	33	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:3:1:	3:3:3:3:	P-4:C-3:C-3:	C[5a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CC[5a]H)(CRuH)	C(C[5a]C[5a]S[5a])(CCP)(H)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CC[5a]H)(CRuH)	C(C[5a]C[5a]S[5a])(CCP)(H)	P(C[6a]C[6a]2)3(CCC)	116.5150	0.000	1	116.5150	0.000	1	116.5150	0.000	1	119.2699	13.782	33	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:3:1:	3:3:3:3:	P-4:C-3:C-3:	C[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CC[6]H)(CRuH)	C(C[6]C[6]N[6])(CCP)(H)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CC[6]H)(CRuH)	C(C[6]C[6]N[6])(CCP)(H)	P(C[6a]C[6a]2)3(CCC)	119.6900	0.000	1	119.6900	0.000	1	119.6900	0.000	1	119.2699	13.782	33	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:3:1:	3:3:3:3:	P-4:C-3:C-3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CCP)(O)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CC[6a]O)(CCO)	C(C[6a]C[6a]2)(CCP)(O)	P(C[6a]C[6a]2)3(CCC)	114.9660	4.548	2	114.9660	20.685	2	115.3343	10.750	3	119.2699	13.782	33	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:3:1:	3:3:3:3:	P-4:C-3:C-3:	C[6a]-3:C-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CC[6a]O)(CC[5]O)	C(C[6a]C[6a]2)(CCP)(O)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CC[6a]O)(CC[5]O)	C(C[6a]C[6a]2)(CCP)(O)	P(C[6a]C[6a]2)3(CCC)	116.0710	0.000	1	116.0710	0.000	1	115.3343	10.750	3	119.2699	13.782	33	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:3:1:	4:4:4:3:	P-4:C-3:C-3:	C-3:C-3:H-1:	C-4:C-4:C-4:C-3:	C(PC3)(CCH)(CHH)	C(CC[6a]O)(CCP)(H)	P(CC[6a]HH)3(CCC)	C(PC3)(CCH)(CHH)	C(CC[6a]O)(CCP)(H)	P(CC[6a]HH)3(CCC)	114.5180	0.052	2	114.5180	0.003	2	114.5180	0.003	2	114.5180	0.003	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:3:2:	3:2:2:1:	P-4:C-3:C-3:	C-3:N-3:O-2:	C-3:O-2:O-2:O-1:	C(PO3)(CNO)(COO)	C(CCP)(NCH)(OH)	P(CCC)(OC)2(O)	C(PO3)(CNO)(COO)	C(CCP)(NCH)(OH)	P(CCC)(OC)2(O)	119.3140	0.000	1	119.3140	0.000	1	119.3140	0.000	1	119.2130	0.020	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:3:2:	3:2:2:1:	P-4:C-3:C-3:	N-3:C-3:O-2:	C-3:O-2:O-2:O-1:	C(PO3)(CNO)(COO)	C(NC[6a]H)(CCP)(OH)	P(CCC)(OC)2(O)	C(PO3)(CNO)(COO)	C(NC[6a]H)(CCP)(OH)	P(CCC)(OC)2(O)	119.1120	0.000	1	119.1120	0.000	1	119.1120	0.000	1	119.2130	0.020	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:3:2:	3:3:3:3:	P-4:C-3:C-3:	C-3:C-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(COsH)(CCO)	C(CCH)(CCP)(OH)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(COsH)(CCO)	C(CCH)(CCP)(OH)	P(C[6a]C[6a]2)3(CCC)	116.7340	0.000	2	116.7340	0.000	2	116.7340	0.000	2	116.7340	0.000	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:3:3:	2:2:3:1:	P-4:C-3:C-3:	C-3:C-3:C-3:	O-2:O-2:C-3:O-1:	C(PO3)(CCC)(COO)	C(CCP)(CNS)(COO)	P(OC[6a])2(CCC)(O)	C(PO3)(CCC)(COO)	C(CCP)(CNS)(COO)	P(OC[6a])2(CCC)(O)	129.0160	0.000	1	129.0160	0.000	1	129.0160	0.000	1	129.0160	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:3:3:	3:2:2:1:	P-4:C-3:C-3:	C-3:C-3:C-3:	C-3:O-2:O-2:O-1:	C(PO3)(CCC)(COO)	C(CC[6a]O)(CCP)(COO)	P(CCC)(OC)2(O)	C(PO3)(CCC)(COO)	C(CC[6a]O)(CCP)(COO)	P(CCC)(OC)2(O)	123.0050	0.000	1	123.0050	0.000	1	123.0050	0.000	1	123.0050	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:3:3:	3:3:3:1:	P-4:C-3:C-3:	C-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(PC[6a]2O)(CCC)(CHH)	C(CC[6a]2)(CCH)(CCP)	P(C[6a]C[6a]2)2(CCC)(O)	C(PC[6a]2O)(CCC)(CHH)	C(CC[6a]2)(CCH)(CCP)	P(C[6a]C[6a]2)2(CCC)(O)	113.6160	0.000	1	113.6160	0.000	1	113.6160	0.000	1	118.3440	44.708	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:3:3:	3:3:3:1:	P-4:C-3:C-3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(PC[6a]2O)(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(CCP)	P(C[6a]C[6a]2)2(CCC)(O)	C(PC[6a]2O)(CC[6a]C)(CCO)	C(C[6a]C[6a]2)(CC[6a]O)(CCP)	P(C[6a]C[6a]2)2(CCC)(O)	123.0720	0.000	1	123.0720	0.000	1	123.0720	0.000	1	118.3440	44.708	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:3:3:	3:3:3:3:	P-4:C-3:C-3:	C-3:C-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCC)(CHH)	C(CCH)(CCO)(CCP)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CCC)(CHH)	C(CCH)(CCO)(CCP)	P(C[6a]C[6a]2)3(CCC)	116.1530	0.000	1	116.1530	0.000	1	119.8815	27.803	2	119.8815	27.803	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:3:3:	3:3:3:3:	P-4:C-3:C-3:	C-3:C-3:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCC)(COO)	C(CCP)(COO)2	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CCC)(COO)	C(CCP)(COO)2	P(C[6a]C[6a]2)3(CCC)	123.6100	0.000	1	123.6100	0.000	1	119.8815	27.803	2	119.8815	27.803	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	3:4:3:	3:3:3:1:	P-4:C-3:C-3:	C[6]-3:S-4:C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(PC[6a]2O)(CC[6]S)(CHH)	C(C[6]C[6]2)(SC[6a]OO)(CCP)	P(C[6a]C[6a]2)2(CCC)(O)	C(PC[6a]2O)(CC[6]S)(CHH)	C(C[6]C[6]2)(SC[6a]OO)(CCP)	P(C[6a]C[6a]2)2(CCC)(O)	119.1580	0.000	1	119.1580	0.000	1	119.1580	0.000	1	119.1580	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	4:3:1:	3:3:3:1:	P-4:C-3:C-3:	C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:O-1:	C(PC[6a]2O)(CCH)(CCP)	C(CCCO)(CCP)(H)	P(C[6a]C[6a]2)2(CCC)(O)	C(PC[6a]2O)(CCH)(CCP)	C(CCCO)(CCP)(H)	P(C[6a]C[6a]2)2(CCC)(O)	123.8222	1.767	4	123.8222	3.124	4	123.8222	3.124	4	121.0650	20.406	6	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	4:3:1:	3:3:3:1:	P-4:C-3:C-3:	C-4:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:O-1:	C(PC[6a]2O)(CC[6a]C)(CCO)	C(CCHH)(CCP)(O)	P(C[6a]C[6a]2)2(CCC)(O)	C(PC[6a]2O)(CC[6a]C)(CCO)	C(CCHH)(CCP)(O)	P(C[6a]C[6a]2)2(CCC)(O)	116.3960	0.000	1	116.3960	0.000	1	116.3960	0.000	1	121.0650	20.406	6	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	4:3:1:	3:3:3:1:	P-4:P-3:C-3:	C-4:C-3:H-1:	C[6a]-3:C-3:C-3:H-1:	C(PC[6a]CH)(PC[6a]Al)(CCH)	C(CC3)(CPP)(H)	P(C[6a]C[6a]2)(CAlC)(CCP)(H)	C(PC[6a]CH)(PC[6a]Al)(CCH)	C(CC3)(CPP)(H)	P(C[6a]C[6a]2)(CAlC)(CCP)(H)	114.7050	0.000	1	114.7050	0.000	1	114.7050	0.000	1	121.0650	20.406	6	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	4:3:1:	3:3:3:2:	P-4:P-3:C-3:	C-4:C-3:H-1:	C[6a]-3:C-3:C-3:C-2:	C(PC[6a]CC)(PC[6a]Al)(CCH)	C(CC3)(CPP)(H)	P(C[6a]C[6a]2)(CAlC)(CCP)(CC)	C(PC[6a]CC)(PC[6a]Al)(CCH)	C(CC3)(CPP)(H)	P(C[6a]C[6a]2)(CAlC)(CCP)(CC)	111.3660	0.000	1	111.3660	0.000	1	111.3660	0.000	1	111.3660	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	4:3:1:	3:3:3:3:	P-4:C-3:C-3:	C-4:C-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCO)(COO)	C(CCHH)(CCP)(O)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CCO)(COO)	C(CCHH)(CCP)(O)	P(C[6a]C[6a]2)3(CCC)	116.9120	0.000	1	116.9120	0.000	1	116.3607	24.232	10	115.8952	19.165	13	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	4:3:1:	3:3:3:3:	P-4:C-3:C-3:	C-4:C-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCO)(COO)	C(CH3)(CCP)(O)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CCO)(COO)	C(CH3)(CCP)(O)	P(C[6a]C[6a]2)3(CCC)	111.8280	1.182	3	111.8280	1.398	3	116.3607	24.232	10	115.8952	19.165	13	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	4:3:1:	3:3:3:3:	P-4:C-3:C-3:	C-4:C-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCO)2	C(CH3)(CCP)(O)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CCO)2	C(CH3)(CCP)(O)	P(C[6a]C[6a]2)3(CCC)	117.9965	10.167	2	117.9965	103.378	2	116.3607	24.232	10	115.8952	19.165	13	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	4:3:1:	3:3:3:3:	P-4:C-3:C-3:	C-4:C-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CC[6a]O)(CCO)	C(CH3)(CCP)(O)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CC[6a]O)(CCO)	C(CH3)(CCP)(O)	P(C[6a]C[6a]2)3(CCC)	115.0010	0.000	1	115.0010	0.000	1	116.3607	24.232	10	115.8952	19.165	13	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	4:3:1:	3:3:3:3:	P-4:C-3:C-3:	C-4:C-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(COsH)(CCO)	C(COsCH)(CCP)(O)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(COsH)(CCO)	C(COsCH)(CCP)(O)	P(C[6a]C[6a]2)3(CCC)	120.0723	0.849	3	120.0723	0.721	3	116.3607	24.232	10	115.8952	19.165	13	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	4:3:1:	3:3:3:3:	P-4:C-3:C-3:	C[5]-4:C-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CC[5]O)(COO)	C(C[5]C[5]O[5]H)(CCP)(O)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CC[5]O)(COO)	C(C[5]C[5]O[5]H)(CCP)(O)	P(C[6a]C[6a]2)3(CCC)	114.6610	1.376	2	114.6610	1.893	2	114.3433	1.249	3	115.8952	19.165	13	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	4:3:1:	3:3:3:3:	P-4:C-3:C-3:	C[5]-4:C-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CC[6a]O)(CC[5]O)	C(C[5]C[5]O[5]H)(CCP)(O)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CC[6a]O)(CC[5]O)	C(C[5]C[5]O[5]H)(CCP)(O)	P(C[6a]C[6a]2)3(CCC)	113.7080	0.000	1	113.7080	0.000	1	114.3433	1.249	3	115.8952	19.165	13	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	4:3:1:	3:4:3:3:	P-4:P-3:C-3:	C-4:C-3:H-1:	C[6a]-3:C-4:C-3:C-3:	C(PC[6a]CC)(PC[6a]Al)(CCH)	C(CC3)(CPP)(H)	P(C[6a]C[6a]2)(CCHH)(CAlC)(CCP)	C(PC[6a]CC)(PC[6a]Al)(CCH)	C(CC3)(CPP)(H)	P(C[6a]C[6a]2)(CCHH)(CAlC)(CCP)	118.6750	1.257	2	118.6750	1.581	2	118.6750	1.581	2	118.6750	1.581	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	4:3:1:	5:3:3:3:	P-4:C[6a]-3:C-3:	B-4:C-3:H-1:	C[3x3,4,3x5,14x6]-5:C[6a]-3:C[6a]-3:C-3:	C(PC[3x3,4,3x5,14x6]C[6a]2)(C[6a]C[6a]2)(CBH)	C(BC[3x3,4,3x5,14x6]C[6a]2)(CC[6a]P)(H)	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)2(CC[6a]C)	C(PC[3x3,4,3x5,14x6]C[6a]2)(C[6a]C[6a]2)(CBH)	C(BC[3x3,4,3x5,14x6]C[6a]2)(CC[6a]P)(H)	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6a]C[6a]2)2(CC[6a]C)	117.8360	1.366	2	117.8360	1.866	2	117.8360	1.866	2	117.8360	1.866	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	4:3:2:	3:3:3:3:	P-4:C-3:C-3:	C[5]-4:C-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CC[5]O)(COsH)	C(C[5]C[5]2Fe)(CCP)(OOs)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CC[5]O)(COsH)	C(C[5]C[5]2Fe)(CCP)(OOs)	P(C[6a]C[6a]2)3(CCC)	125.4310	0.970	2	125.4310	0.941	2	125.4310	0.941	2	125.4310	0.941	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	4:3:3:	3:3:2:3:	P-4:C-3:C-3:	Ge-4:C-3:C-3:	C[6a]-3:C[6a]-3:N-2:C-3:	C(PC[6a]2N)(CGeC)(COO)	C(GeC3)(CCP)(COO)	P(C[6a]C[6a]2)2(NC[6a])(CCC)	C(PC[6a]2N)(CGeC)(COO)	C(GeC3)(CCP)(COO)	P(C[6a]C[6a]2)2(NC[6a])(CCC)	125.1880	0.000	1	125.1880	0.000	1	125.1880	0.000	1	125.4580	0.146	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	4:3:3:	3:3:2:3:	P-4:C-3:C-3:	Si-4:C-3:C-3:	C[6a]-3:C[6a]-3:N-2:C-3:	C(PC[6a]2N)(CSiC)(COO)	C(SiC3)(CCP)(COO)	P(C[6a]C[6a]2)2(NC[6a])(CCC)	C(PC[6a]2N)(CSiC)(COO)	C(SiC3)(CCP)(COO)	P(C[6a]C[6a]2)2(NC[6a])(CCC)	125.7280	0.000	1	125.7280	0.000	1	125.7280	0.000	1	125.4580	0.146	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	4:3:3:	3:3:3:1:	P-4:C-3:C-3:	P-4:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(PC[6a]2O)(CCH)(CCP)	C(PC[6a]2O)(CCH)(CCP)	P(C[6a]C[6a]2)2(CCC)(O)	C(PC[6a]2O)(CCH)(CCP)	C(PC[6a]2O)(CCH)(CCP)	P(C[6a]C[6a]2)2(CCC)(O)	117.0383	1.766	4	117.0383	3.119	4	117.0383	3.119	4	117.0383	3.119	4	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:3:	4:3:3:	3:3:3:2:	P-4:C-3:C-3:	Si-4:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:N-2:	C(PC[6a]2N)(CSiC)(COO)	C(SiC3)(CCP)(COO)	P(C[6a]C[6a]2)2(CCC)(NSi)	C(PC[6a]2N)(CSiC)(COO)	C(SiC3)(CCP)(COO)	P(C[6a]C[6a]2)2(CCC)(NSi)	124.0640	0.000	1	124.0640	0.000	1	124.0640	0.000	1	124.0640	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:4:	3:3:1:	3:2:3:1:	P-4:C-3:Si-4:	C[6a]-3:C-3:H-1:	C[6a]-3:O-2:C-3:O-1:	C(PC[6a]OO)(CC[6a]H)(SiC3)	C(C[6a]C[6a]2)(CSiP)(H)	P(C[6a]C[6a]2)(OC[6a])(CSiC)(O)	C(PC[6a]OO)(CC[6a]H)(SiC3)	C(C[6a]C[6a]2)(CSiP)(H)	P(C[6a]C[6a]2)(OC[6a])(CSiC)(O)	115.1090	0.000	1	115.1090	0.000	1	115.1090	0.000	1	115.1090	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:4:	3:3:1:	3:3:3:1:	P-4:C-3:C-4:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:O-1:	C(PC[6a]2O)(CC[6a]H)(CHHO)	C(C[6a]C[6a]2)(CCP)(H)	P(C[6a]C[6a]2)2(CCC)(O)	C(PC[6a]2O)(CC[6a]H)(CHHO)	C(C[6a]C[6a]2)(CCP)(H)	P(C[6a]C[6a]2)2(CCC)(O)	125.5870	0.000	1	125.5870	0.000	1	125.5870	0.000	1	125.5870	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:4:	3:3:1:	3:3:3:3:	P-4:C-3:C-4:	C[6]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CC[6]H)(CRuCH)	C(C[6]C[6]N[6])(CCP)(H)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CC[6]H)(CRuCH)	C(C[6]C[6]N[6])(CCP)(H)	P(C[6a]C[6a]2)3(CCC)	117.7330	0.904	2	117.7330	0.817	2	117.7330	0.817	2	117.7330	0.817	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:4:	3:3:1:	4:3:1:1:	P-4:C-3:C-4:	C[6a]-3:C-3:H-1:	C[6]-4:C-3:H-1:O-1:	C(PC[6]HO)(CC[6a]H)(CC3)	C(C[6a]C[6a]2)(CCP)(H)	P(C[6]C[6]2H)(CCC)(H)(O)	C(PC[6]HO)(CC[6a]H)(CC3)	C(C[6a]C[6a]2)(CCP)(H)	P(C[6]C[6]2H)(CCC)(H)(O)	120.6060	0.000	1	120.6060	0.000	1	120.6060	0.000	1	120.6060	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:4:	3:3:1:	4:3:3:1:	P-4:C-3:C-4:	C[6a]-3:C-3:H-1:	C[6]-4:P-3:C-3:O-1:	C(PC[6]OP)(CC[6a]H)(CC3)	C(C[6a]C[6a]2)(CCP)(H)	P(C[6]C[6]2H)(PC[6]C)(CCC)(O)	C(PC[6]OP)(CC[6a]H)(CC3)	C(C[6a]C[6a]2)(CCP)(H)	P(C[6]C[6]2H)(PC[6]C)(CCC)(O)	120.2047	4.433	3	120.2047	19.653	3	120.2047	19.653	3	120.2047	19.653	3	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:4:	3:3:3:	3:4:4:3:	P-4:C-3:C-4:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:B-4:C-4:C-3:	C(PC[6a]BC)(CC[6a]2)(CH3)	C(C[6a]C[6a]2)2(CCP)	P(C[6a]C[6a]2)(BH3)(CH3)(CCC)	C(PC[6a]BC)(CC[6a]2)(CH3)	C(C[6a]C[6a]2)2(CCP)	P(C[6a]C[6a]2)(BH3)(CH3)(CCC)	126.1360	0.000	1	126.1360	0.000	1	126.1360	0.000	1	126.1360	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:3:4:	4:3:1:	3:3:3:3:	P-4:C-3:C-4:	C[6]-4:C-3:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CC[6]O)(CH3)	C(C[6]C[6]2H)(CCP)(O)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CC[6]O)(CH3)	C(C[6]C[6]2H)(CCP)(O)	P(C[6a]C[6a]2)3(CCC)	115.8240	0.000	1	115.8240	0.000	1	115.8240	0.000	1	115.8240	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:4:3:	3:1:1:	3:2:2:1:	C-4:P-4:C-3:	C-3:H-1:H-1:	C-3:O-2:O-2:O-1:	C(CCHH)(PO3)(CHH)	C(CCP)(H)2	P(CCC)(OC)2(O)	C(CCHH)(PO3)(CHH)	C(CCP)(H)2	P(CCC)(OC)2(O)	118.2670	0.000	1	118.2670	0.000	1	118.0560	0.089	2	118.0560	0.089	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:4:3:	3:1:1:	3:2:2:1:	C-4:P-4:C-3:	C-3:H-1:H-1:	C-3:O-2:O-2:O-1:	C(CC[6a]HN)(PO3)(CHH)	C(CCP)(H)2	P(CCC)(OC)2(O)	C(CC[6a]HN)(PO3)(CHH)	C(CCP)(H)2	P(CCC)(OC)2(O)	117.8450	0.000	1	117.8450	0.000	1	118.0560	0.089	2	118.0560	0.089	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:4:3:	3:1:1:	3:3:3:1:	C-4:P-4:C-3:	C-3:H-1:H-1:	C[6a]-3:C[6a]-3:C-3:O-1:	C(CC[6a]HP)(PC[6a]2O)(CHH)	C(CCP)(H)2	P(C[6a]C[6a]2)2(CCC)(O)	C(CC[6a]HP)(PC[6a]2O)(CHH)	C(CCP)(H)2	P(C[6a]C[6a]2)2(CCC)(O)	122.2980	0.000	1	122.2980	0.000	1	122.2980	0.000	1	122.2980	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:4:3:	3:1:1:	3:3:3:3:	P-4:P-4:C-3:	C-3:O-1:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)2(COO)	C(CPP)(O)2	P(C[6a]C[6a]2)3(CCP)	C(PC[6a]3)2(COO)	C(CPP)(O)2	P(C[6a]C[6a]2)3(CCP)	112.1505	0.749	2	112.1505	0.561	2	112.1505	0.561	2	113.5537	6.187	3	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:4:3:	3:1:1:	3:3:3:3:	P-4:P-4:C-3:	C-3:S-1:S-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)2(CSS)	C(CPP)(S)2	P(C[6a]C[6a]2)3(CCP)	C(PC[6a]3)2(CSS)	C(CPP)(S)2	P(C[6a]C[6a]2)3(CCP)	116.3600	0.000	1	116.3600	0.000	1	116.3600	0.000	1	113.5537	6.187	3	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:4:3:	3:2:1:	3:3:3:3:	P-4:C-4:C-3:	C-3:O-2:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCHH)(COO)	C(CCP)(OC)(O)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CCHH)(COO)	C(CCP)(OC)(O)	P(C[6a]C[6a]2)3(CCC)	120.3460	0.000	1	120.3460	0.000	1	120.3460	0.000	1	120.3460	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:4:3:	3:2:2:	3:3:3:3:	P-4:C-4:C-3:	C-3:O-2:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(COsCH)(COO)	C(CCP)(OOs)(OC)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(COsCH)(COO)	C(CCP)(OOs)(OC)	P(C[6a]C[6a]2)3(CCC)	122.7140	0.000	1	122.7140	0.000	1	122.7140	0.000	1	119.1500	25.404	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:4:3:	3:2:2:	3:3:3:3:	P-4:Ga-4:C-3:	C-3:O-2:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(GaCl3)(COO)	C(CGaP)(OC)2	P(C[6a]C[6a]2)3(CGaC)	C(PC[6a]3)(GaCl3)(COO)	C(CGaP)(OC)2	P(C[6a]C[6a]2)3(CGaC)	115.5860	0.000	1	115.5860	0.000	1	115.5860	0.000	1	119.1500	25.404	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:4:3:	3:3:1:	3:3:3:1:	C[6]-4:P-4:C-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:O-1:	C(C[6]C[6]2O)(PC[6a]2O)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6]P)(H)	P(C[6a]C[6a]2)2(CC[6]C)(O)	C(C[6]C[6]2O)(PC[6a]2O)(CC[6a]H)	C(C[6a]C[6a]2)(CC[6]P)(H)	P(C[6a]C[6a]2)2(CC[6]C)(O)	116.3710	0.000	1	116.3710	0.000	1	116.3710	0.000	1	116.3710	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:4:3:	3:3:1:	3:3:3:2:	P-4:P-4:C-3:	C[6a]-3:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:N-2:	C(PC[6a]2N)2(CC[6a]H)	C(C[6a]C[6a]2)(CPP)(H)	P(C[6a]C[6a]2)2(CCP)(NSi)	C(PC[6a]2N)2(CC[6a]H)	C(C[6a]C[6a]2)(CPP)(H)	P(C[6a]C[6a]2)2(CCP)(NSi)	121.6010	5.303	2	121.6010	28.125	2	121.6010	28.125	2	118.6573	40.058	3	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:4:3:	3:3:1:	3:3:3:2:	P-4:P-4:C-3:	N-3:C-3:O-1:	C[6a]-3:C[6a]-3:C-3:S-2:	C(PC[6a]2N)(PC[6a]2S)(CNO)	C(NC[6a]Sn)(CPP)(O)	P(C[6a]C[6a]2)2(CCP)(SSn)	C(PC[6a]2N)(PC[6a]2S)(CNO)	C(NC[6a]Sn)(CPP)(O)	P(C[6a]C[6a]2)2(CCP)(SSn)	112.7700	0.000	1	112.7700	0.000	1	112.7700	0.000	1	118.6573	40.058	3	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:4:3:	3:3:1:	3:3:3:3:	P-4:P-4:C-3:	N-3:C-3:O-1:	C[6a]-3:C[6a]-3:N-3:C-3:	C(PC[6a]2N)(PC[6a]2S)(CNO)	C(NC[6a]Sn)(CPP)(O)	P(C[6a]C[6a]2)2(NSiSn)(CCP)	C(PC[6a]2N)(PC[6a]2S)(CNO)	C(NC[6a]Sn)(CPP)(O)	P(C[6a]C[6a]2)2(NSiSn)(CCP)	113.3030	0.000	1	113.3030	0.000	1	113.3030	0.000	1	113.3030	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:4:3:	3:3:2:	3:3:3:2:	P-4:P-4:C-3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:C-3:N-2:	C(PC[6a]2N)2(CC[6a]O)	C(C[6a]C[6a]2)(CPP)(OLi)	P(C[6a]C[6a]2)2(CCP)(NSi)	C(PC[6a]2N)2(CC[6a]O)	C(C[6a]C[6a]2)(CPP)(OLi)	P(C[6a]C[6a]2)2(CCP)(NSi)	122.9980	0.000	1	122.9980	0.000	1	122.9980	0.000	1	122.9980	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:4:3:	3:3:2:	3:3:3:3:	P-4:Ga-4:C-3:	C-3:N-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(GaCl3)(CNO)	C(CGaP)(NCC)(OC)	P(C[6a]C[6a]2)3(CGaC)	C(PC[6a]3)(GaCl3)(CNO)	C(CGaP)(NCC)(OC)	P(C[6a]C[6a]2)3(CGaC)	118.2095	0.035	2	118.2095	0.001	2	118.2095	0.001	2	119.9550	9.141	3	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:4:3:	3:3:2:	3:3:3:3:	P-4:P-4:C-3:	C[6a]-3:C-3:O-2:	C[6a]-3:C[6a]-3:N-3:C-3:	C(PC[6a]2N)2(CC[6a]O)	C(C[6a]C[6a]2)(CPP)(OLi)	P(C[6a]C[6a]2)2(NSiH)(CCP)	C(PC[6a]2N)2(CC[6a]O)	C(C[6a]C[6a]2)(CPP)(OLi)	P(C[6a]C[6a]2)2(NSiH)(CCP)	123.4460	0.000	1	123.4460	0.000	1	123.4460	0.000	1	119.9550	9.141	3	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:4:3:	3:3:3:	3:3:3:1:	C[3]-4:P-4:C-3:	C[6a]-3:C-3:C-3:	C[6a]-3:C[6a]-3:C-3:O-1:	C(C[3]C[3]2O)(PC[6a]2O)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(CC[3]P)	P(C[6a]C[6a]2)2(CC[3]C)(O)	C(C[3]C[3]2O)(PC[6a]2O)(CC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(CC[3]P)	P(C[6a]C[6a]2)2(CC[3]C)(O)	125.9540	0.000	1	125.9540	0.000	1	125.9540	0.000	1	125.9540	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:4:3:	3:3:3:	3:3:3:2:	P-4:P-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:N-2:	C(PC[6a]2N)2(CC[6a]2)	C(C[6a]C[6a]2)2(CPP)	P(C[6a]C[6a]2)2(CCP)(NSi)	C(PC[6a]2N)2(CC[6a]2)	C(C[6a]C[6a]2)2(CPP)	P(C[6a]C[6a]2)2(CCP)(NSi)	120.2055	0.590	4	120.2055	0.348	4	120.2055	0.348	4	120.2055	0.348	4	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:4:3:	3:3:3:	3:3:3:3:	P-4:P-4:C-3:	N-3:N-3:C-3:	C[6a]-3:C[6a]-3:N-3:C-3:	C(PC[6a]2N)2(CNN)	C(NC[6]Al)2(CPP)	P(C[6a]C[6a]2)2(NAlSi)(CCP)	C(PC[6a]2N)2(CNN)	C(NC[6]Al)2(CPP)	P(C[6a]C[6a]2)2(NAlSi)(CCP)	113.9125	0.581	2	113.9125	0.337	2	113.9125	0.337	2	113.9125	0.337	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:4:3:	3:4:1:	3:3:3:3:	Si[6]-4:P-4:C-3:	C-3:C-4:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(Si[6]N[6]2H)(PC[6a]3)(CCO)	C(CSi[6]P)(CH3)(O)	P(C[6a]C[6a]2)3(CSi[6]C)	C(Si[6]N[6]2H)(PC[6a]3)(CCO)	C(CSi[6]P)(CH3)(O)	P(C[6a]C[6a]2)3(CSi[6]C)	111.8370	0.144	2	111.8370	0.021	2	111.8370	0.021	2	111.8370	0.021	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:4:3:	4:3:1:	3:3:1:1:	B-4:P-4:C-3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:H-1:	C(BC[6a]2F)(PC[6a]HH)(CCH)	C(CC3)(CBP)(H)	P(C[6a]C[6a]2)(CBC)(H)2	C(BC[6a]2F)(PC[6a]HH)(CCH)	C(CC3)(CBP)(H)	P(C[6a]C[6a]2)(CBC)(H)2	133.0090	0.000	1	133.0090	0.000	1	133.2735	0.140	2	133.2735	0.140	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:4:3:	4:3:1:	3:3:1:1:	B-4:P-4:C-3:	C-4:C-3:H-1:	C[6a]-3:C-3:H-1:H-1:	C(BC[6a]2H)(PC[6a]HH)(CCH)	C(CC3)(CBP)(H)	P(C[6a]C[6a]2)(CBC)(H)2	C(BC[6a]2H)(PC[6a]HH)(CCH)	C(CC3)(CBP)(H)	P(C[6a]C[6a]2)(CBC)(H)2	133.5380	0.000	1	133.5380	0.000	1	133.2735	0.140	2	133.2735	0.140	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:4:3:	4:3:1:	3:3:3:1:	P-4:C-4:C-3:	C-4:C-3:H-1:	C[6a]-3:C[6a]-3:C-3:S-1:	C(PC[6a]2S)(CCHH)(CCH)	C(CCHH)(CCP)(H)	P(C[6a]C[6a]2)2(CCC)(S)	C(PC[6a]2S)(CCHH)(CCH)	C(CCHH)(CCP)(H)	P(C[6a]C[6a]2)2(CCC)(S)	121.4960	0.000	1	121.4960	0.000	1	121.4960	0.000	1	119.4765	8.157	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:4:3:	4:3:1:	3:3:3:1:	P-4:C-4:C-3:	C-4:C-3:I-1:	C[6a]-3:C[6a]-3:C-3:O-1:	C(PC[6a]2O)(CCHH)(CCI)	C(CHHO)(CCP)(I)	P(C[6a]C[6a]2)2(CCC)(O)	C(PC[6a]2O)(CCHH)(CCI)	C(CHHO)(CCP)(I)	P(C[6a]C[6a]2)2(CCC)(O)	117.4570	0.000	1	117.4570	0.000	1	117.4570	0.000	1	119.4765	8.157	2	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:4:3:	4:3:1:	3:3:3:3:	C-4:P-4:C-3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(CC[5]HH)(PC[6a]3)(CBH)	C(BC[6a]2C)(CCP)(H)	P(C[6a]C[6a]2)3(CCC)	C(CC[5]HH)(PC[6a]3)(CBH)	C(BC[6a]2C)(CCP)(H)	P(C[6a]C[6a]2)3(CCC)	115.3170	0.000	1	115.3170	0.000	1	115.3170	0.000	1	113.5507	25.308	3	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:4:3:	4:3:1:	3:3:3:3:	P-4:C-4:C-3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCHH)(CBH)	C(BC[6a]2C)(CCP)(H)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CCHH)(CBH)	C(BC[6a]2C)(CCP)(H)	P(C[6a]C[6a]2)3(CCC)	117.4600	0.000	1	117.4600	0.000	1	112.6675	45.936	2	113.5507	25.308	3	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:4:3:	4:3:1:	3:3:3:3:	P-4:C-4:C-3:	B-4:C-3:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CCHH)(CBH)	C(BC[6a]3)(CCP)(H)	P(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CCC)	C(PC[6a]3)(CCHH)(CBH)	C(BC[6a]3)(CCP)(H)	P(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(CCC)	107.8750	0.000	1	107.8750	0.000	1	112.6675	45.936	2	113.5507	25.308	3	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:4:3:	4:3:1:	4:4:4:3:	C-4:P-4:C-3:	B-4:C-3:H-1:	C-4:C-4:C-4:C-3:	C(CC[5]HH)(PC3)(CBH)	C(BC[6a]2C)(CCP)(H)	P(CC3)3(CCC)	C(CC[5]HH)(PC3)(CBH)	C(BC[6a]2C)(CCP)(H)	P(CC3)3(CCC)	116.4820	0.000	1	116.4820	0.000	1	116.4820	0.000	1	116.4820	0.000	1	120.2514	20.667	321	120.2514	20.667	321
930	930	992	0:SP2_SP2_SP3	C	C	P	4:4:3:	4:4:3:	3:3:3:3:	P-4:C-4:C-3:	C-4:C-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:C-3:	C(PC[6a]3)(CHHS)(CCC)	C(CH3)2(CCP)	P(C[6a]C[6a]2)3(CCC)	C(PC[6a]3)(CHHS)(CCC)	C(CH3)2(CCP)	P(C[6a]C[6a]2)3(CCC)	120.3750	0.000	1	120.3750	0.000	1	120.3750	0.000	1	120.3750	0.000	1	120.2514	20.667	321	120.2514	20.667	321