983	876	951	0:SP1_SP-NON_SP-NON	C	H	H	2:1:	4:2:	2:	H-2:H-1:	C[6]-4:C-2:	C-2:	C(HC[6])(H)	H(C[6]C[6]2H)(CH)	H(CH)	C(HC[6])(H)	H(C[6]C[6]2H)(CH)	H(CH)	103.4830	0.000	1	103.4830	0.000	1	103.4830	0.000	1	103.4830	0.000	1	103.4830	0.000	1	103.4830	0.000	1
983	880	901	0:SP1_SP1_SP3	C	Si	N	4:1:	4:4:2:1:	2:	Si-4:N-1:	Si-4:Si-4:C-2:H-1:	C-2:	C(SiSi2H)(N)	Si(SiSiCH)(SiC3)(CN)(H)	N(CSi)	C(SiSi2H)(N)	Si(SiSiCH)(SiC3)(CN)(H)	N(CSi)	178.4170	0.000	1	178.4170	0.000	1	178.4170	0.000	1	178.4170	0.000	1	178.4170	0.000	1	178.4170	0.000	1
983	880	941	0:SP1_SP2_SP3	C	Si	N	4:2:	4:4:4:2:	3:2:	Si-4:N-2:	C-4:C-4:C-4:C-2:	N-3:C-2:	C(SiC3)(NN)	Si(CH3)3(CN)	N(NSi2)(CSi)	C(SiC3)(NN)	Si(CH3)3(CN)	N(NSi2)(CSi)	176.7110	3.008	2	176.7110	9.048	2	176.7110	9.048	2	176.7110	9.048	2	176.7110	9.048	2	176.7110	9.048	2
983	880	951	0:SP1_SP-NON_SP3	C	Si	H	4:1:	3:4:2:2:	2:	Si-4:H-1:	N-3:C-4:C-2:O-2:	C-2:	C(SiCNO)(H)	Si(NC[6a]C[6])(CH3)(CH)(OC)	H(CSi)	C(SiCNO)(H)	Si(NC[6a]C[6])(CH3)(CH)(OC)	H(CSi)	108.9740	0.000	1	108.9740	0.000	1	108.9740	0.000	1	108.9740	0.000	1	108.9740	0.000	1	108.9740	0.000	1
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	3:4:4:2:	3:2:	C-2:Si-4:	C-3:C-4:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CZrC)(CH3)2(CC)	C(C[6a]C[6a]2)(CSi)	C(CC[6a])(SiC3)	Si(CZrC)(CH3)2(CC)	C(C[6a]C[6a]2)(CSi)	170.4890	0.000	1	170.4890	0.000	1	170.4890	0.000	1	170.4890	0.000	1	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:2:2:	3:2:	C-2:Si-4:	C-4:C-4:C-2:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CCCH)2(CC)2	C(C[6a]C[6a]2)(CSi)	C(CC[6a])(SiC3)	Si(CCCH)2(CC)2	C(C[6a]C[6a]2)(CSi)	173.3815	1.912	4	173.3815	3.657	4	173.3815	3.657	4	173.3815	3.657	4	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:3:2:	3:2:	C-2:Si-4:	C-4:C-4:C-3:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CCCH)2(CCH)(CC)	C(C[6a]C[6a]2)(CSi)	C(CC[6a])(SiC3)	Si(CCCH)2(CCH)(CC)	C(C[6a]C[6a]2)(CSi)	171.7520	0.000	1	171.7520	0.000	1	174.6250	16.508	2	174.6250	16.508	2	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:3:2:	3:2:	C-2:Si-4:	C-4:C-4:C-3:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CH3)2(CCC)(CC)	C(C[6a]C[6a]N[6a])(CSi)	C(CC[6a])(SiC3)	Si(CH3)2(CCC)(CC)	C(C[6a]C[6a]N[6a])(CSi)	177.4980	0.000	1	177.4980	0.000	1	174.6250	16.508	2	174.6250	16.508	2	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[4]-3:C-2:	C(CC[4])(SiC3)	Si(CH3)3(CC)	C(C[4]Si[4,5]C[4])(CSi)	C(CC[4])(SiC3)	Si(CH3)3(CC)	C(C[4]Si[4,5]C[4])(CSi)	177.4110	0.000	1	177.4110	0.000	1	177.4110	0.000	1	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[5]-3:C-2:	C(CC[5])(SiC3)	Si(CCCH)3(CC)	C(C[5]C[5,5a]C[5,6a])(CSi)	C(CC[5])(SiC3)	Si(CCCH)3(CC)	C(C[5]C[5,5a]C[5,6a])(CSi)	171.1630	0.000	2	171.1630	0.000	2	173.4180	3.495	6	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[5]-3:C-2:	C(CC[5])(SiC3)	Si(CCCH)3(CC)	C(C[5]C[5,6a]2)(CSi)	C(CC[5])(SiC3)	Si(CCCH)3(CC)	C(C[5]C[5,6a]2)(CSi)	174.4923	1.045	3	174.4923	1.092	3	173.4180	3.495	6	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[5]-3:C-2:	C(CC[5])(SiC3)	Si(CH3)3(CC)	C(C[5]C[5,5a]C[5])(CSi)	C(CC[5])(SiC3)	Si(CH3)3(CC)	C(C[5]C[5,5a]C[5])(CSi)	174.7050	0.000	1	174.7050	0.000	1	173.4180	3.495	6	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[5a]-3:C-2:	C(CC[5a])(SiC3)	Si(CC3)(CH3)2(CC)	C(C[5a]C[5a]N[5a])(CSi)	C(CC[5a])(SiC3)	Si(CC3)(CH3)2(CC)	C(C[5a]C[5a]N[5a])(CSi)	175.5220	0.000	1	175.5220	0.000	1	175.2164	9.833	41	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[5a]-3:C-2:	C(CC[5a])(SiC3)	Si(CCCH)3(CC)	C(C[5a]C[5a,5a]C[5a,6a])(CSi)	C(CC[5a])(SiC3)	Si(CCCH)3(CC)	C(C[5a]C[5a,5a]C[5a,6a])(CSi)	176.6200	0.000	2	176.6200	0.000	2	175.2164	9.833	41	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[5a]-3:C-2:	C(CC[5a])(SiC3)	Si(CCCH)3(CC)	C(C[5a]C[5a,6a]2)(CSi)	C(CC[5a])(SiC3)	Si(CCCH)3(CC)	C(C[5a]C[5a,6a]2)(CSi)	176.1550	0.000	1	176.1550	0.000	1	175.2164	9.833	41	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[5a]-3:C-2:	C(CC[5a])(SiC3)	Si(CCCH)3(CC)	C(C[5a]C[5a,6a]N[5a])(CSi)	C(CC[5a])(SiC3)	Si(CCCH)3(CC)	C(C[5a]C[5a,6a]N[5a])(CSi)	172.6675	0.817	2	172.6675	0.667	2	175.2164	9.833	41	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[5a]-3:C-2:	C(CC[5a])(SiC3)	Si(CCCH)3(CC)	C(C[5a]C[5a]2)(CSi)	C(CC[5a])(SiC3)	Si(CCCH)3(CC)	C(C[5a]C[5a]2)(CSi)	175.1000	0.927	4	175.1000	0.858	4	175.2164	9.833	41	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[5a]-3:C-2:	C(CC[5a])(SiC3)	Si(CCCH)3(CC)	C(C[5a]C[5a]N[5a])(CSi)	C(CC[5a])(SiC3)	Si(CCCH)3(CC)	C(C[5a]C[5a]N[5a])(CSi)	172.9830	0.000	1	172.9830	0.000	1	175.2164	9.833	41	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[5a]-3:C-2:	C(CC[5a])(SiC3)	Si(CCCH)3(CC)	C(C[5a]N[5a,6]C[5a])(CSi)	C(CC[5a])(SiC3)	Si(CCCH)3(CC)	C(C[5a]N[5a,6]C[5a])(CSi)	175.2410	0.099	2	175.2410	0.010	2	175.2164	9.833	41	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[5a]-3:C-2:	C(CC[5a])(SiC3)	Si(CH3)3(CC)	C(C[5a]C[5a,6]C[5a])(CSi)	C(CC[5a])(SiC3)	Si(CH3)3(CC)	C(C[5a]C[5a,6]C[5a])(CSi)	175.6600	0.000	1	175.6600	0.000	1	175.2164	9.833	41	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[5a]-3:C-2:	C(CC[5a])(SiC3)	Si(CH3)3(CC)	C(C[5a]C[5a,6]S[5a])(CSi)	C(CC[5a])(SiC3)	Si(CH3)3(CC)	C(C[5a]C[5a,6]S[5a])(CSi)	171.9420	0.117	2	171.9420	0.014	2	175.2164	9.833	41	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[5a]-3:C-2:	C(CC[5a])(SiC3)	Si(CH3)3(CC)	C(C[5a]C[5a,6a]C[5a])(CSi)	C(CC[5a])(SiC3)	Si(CH3)3(CC)	C(C[5a]C[5a,6a]C[5a])(CSi)	174.9050	0.000	1	174.9050	0.000	1	175.2164	9.833	41	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[5a]-3:C-2:	C(CC[5a])(SiC3)	Si(CH3)3(CC)	C(C[5a]C[5a]2)(CSi)	C(CC[5a])(SiC3)	Si(CH3)3(CC)	C(C[5a]C[5a]2)(CSi)	178.7075	0.531	4	178.7075	0.282	4	175.2164	9.833	41	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[5a]-3:C-2:	C(CC[5a])(SiC3)	Si(CH3)3(CC)	C(C[5a]C[5a]N[5a])(CSi)	C(CC[5a])(SiC3)	Si(CH3)3(CC)	C(C[5a]C[5a]N[5a])(CSi)	177.0384	1.562	7	177.0384	2.439	7	175.2164	9.833	41	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[5a]-3:C-2:	C(CC[5a])(SiC3)	Si(CH3)3(CC)	C(C[5a]C[5a]O[5a])(CSi)	C(CC[5a])(SiC3)	Si(CH3)3(CC)	C(C[5a]C[5a]O[5a])(CSi)	175.8580	0.000	1	175.8580	0.000	1	175.2164	9.833	41	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[5a]-3:C-2:	C(CC[5a])(SiC3)	Si(CH3)3(CC)	C(C[5a]C[5a]S[5a])(CSi)	C(CC[5a])(SiC3)	Si(CH3)3(CC)	C(C[5a]C[5a]S[5a])(CSi)	175.0690	0.000	1	175.0690	0.000	1	175.2164	9.833	41	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[5a]-3:C-2:	C(CC[5a])(SiC3)	Si(CH3)3(CC)	C(C[5a]N[5a,6]C[5a])(CSi)	C(CC[5a])(SiC3)	Si(CH3)3(CC)	C(C[5a]N[5a,6]C[5a])(CSi)	173.4362	5.336	9	173.4362	28.470	9	175.2164	9.833	41	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[5a]-3:C-2:	C(CC[5a])(SiC3)	Si(CH3)3(CC)	C(C[5a]N[5a]2)(CSi)	C(CC[5a])(SiC3)	Si(CH3)3(CC)	C(C[5a]N[5a]2)(CSi)	174.1180	0.000	1	174.1180	0.000	1	175.2164	9.833	41	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[5a]-3:C-2:	C(CC[5a])(SiC3)	Si(CH3)3(CC)	C(C[5a]N[5a]O[5a])(CSi)	C(CC[5a])(SiC3)	Si(CH3)3(CC)	C(C[5a]N[5a]O[5a])(CSi)	175.2350	0.000	1	175.2350	0.000	1	175.2164	9.833	41	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6]-3:C-2:	C(CC[6])(SiC3)	Si(CCCH)3(CC)	C(C[6]C[5a,6]C[6,6a])(CSi)	C(CC[6])(SiC3)	Si(CCCH)3(CC)	C(C[6]C[5a,6]C[6,6a])(CSi)	176.0085	0.689	2	176.0085	0.475	2	175.3600	5.062	62	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6]-3:C-2:	C(CC[6])(SiC3)	Si(CCCH)3(CC)	C(C[6]C[6,6]C[6])(CSi)	C(CC[6])(SiC3)	Si(CCCH)3(CC)	C(C[6]C[6,6]C[6])(CSi)	174.0805	3.617	2	174.0805	13.082	2	175.3600	5.062	62	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6]-3:C-2:	C(CC[6])(SiC3)	Si(CCCH)3(CC)	C(C[6]C[6,6a]2)(CSi)	C(CC[6])(SiC3)	Si(CCCH)3(CC)	C(C[6]C[6,6a]2)(CSi)	176.7645	0.313	2	176.7645	0.098	2	175.3600	5.062	62	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6]-3:C-2:	C(CC[6])(SiC3)	Si(CCCH)3(CC)	C(C[6]C[6,6a]C[6])(CSi)	C(CC[6])(SiC3)	Si(CCCH)3(CC)	C(C[6]C[6,6a]C[6])(CSi)	176.5820	0.000	1	176.5820	0.000	1	175.3600	5.062	62	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6]-3:C-2:	C(CC[6])(SiC3)	Si(CH3)3(CC)	C(C[6]C[5a,6]2)(CSi)	C(CC[6])(SiC3)	Si(CH3)3(CC)	C(C[6]C[5a,6]2)(CSi)	173.7977	2.530	3	173.7977	6.402	3	175.3600	5.062	62	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6]-3:C-2:	C(CC[6])(SiC3)	Si(CH3)3(CC)	C(C[6]C[6]2)(CSi)	C(CC[6])(SiC3)	Si(CH3)3(CC)	C(C[6]C[6]2)(CSi)	175.6457	2.176	46	175.6457	4.734	46	175.3600	5.062	62	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6]-3:C-2:	C(CC[6])(SiC3)	Si(CH3)3(CC)	C(C[6]C[6]N[6])(CSi)	C(CC[6])(SiC3)	Si(CH3)3(CC)	C(C[6]C[6]N[6])(CSi)	176.3995	1.152	2	176.3995	1.327	2	175.3600	5.062	62	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6]-3:C-2:	C(CC[6])(SiC3)	Si(CH3)3(CC)	C(C[6]N[6]2)(CSi)	C(CC[6])(SiC3)	Si(CH3)3(CC)	C(C[6]N[6]2)(CSi)	172.0345	0.568	4	172.0345	0.322	4	175.3600	5.062	62	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CC3)(CH3)2(CC)	C(C[6a]C[6a,6a]2)(CSi)	C(CC[6a])(SiC3)	Si(CC3)(CH3)2(CC)	C(C[6a]C[6a,6a]2)(CSi)	169.2650	0.680	2	169.2650	0.463	2	174.2034	11.970	273	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CC3)(CH3)2(CC)	C(C[6a]C[6a]N[6a])(CSi)	C(CC[6a])(SiC3)	Si(CC3)(CH3)2(CC)	C(C[6a]C[6a]N[6a])(CSi)	176.5510	0.000	1	176.5510	0.000	1	174.2034	11.970	273	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CCCH)2(CCHH)(CC)	C(C[6a]C[6a,6a]2)(CSi)	C(CC[6a])(SiC3)	Si(CCCH)2(CCHH)(CC)	C(C[6a]C[6a,6a]2)(CSi)	175.5233	2.943	6	175.5233	8.663	6	174.2034	11.970	273	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CCCH)3(CC)	C(C[6a]C[5,6a]C[6a])(CSi)	C(CC[6a])(SiC3)	Si(CCCH)3(CC)	C(C[6a]C[5,6a]C[6a])(CSi)	177.9820	1.229	2	177.9820	1.510	2	174.2034	11.970	273	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CCCH)3(CC)	C(C[6a]C[5a,6a]2)(CSi)	C(CC[6a])(SiC3)	Si(CCCH)3(CC)	C(C[6a]C[5a,6a]2)(CSi)	173.8580	0.718	2	173.8580	0.516	2	174.2034	11.970	273	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CCCH)3(CC)	C(C[6a]C[5a,6a]C[6a,6a])(CSi)	C(CC[6a])(SiC3)	Si(CCCH)3(CC)	C(C[6a]C[5a,6a]C[6a,6a])(CSi)	173.4097	3.464	6	173.4097	12.002	6	174.2034	11.970	273	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CCCH)3(CC)	C(C[6a]C[5a,6a]C[6a])(CSi)	C(CC[6a])(SiC3)	Si(CCCH)3(CC)	C(C[6a]C[5a,6a]C[6a])(CSi)	177.9340	0.000	1	177.9340	0.000	1	174.2034	11.970	273	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CCCH)3(CC)	C(C[6a]C[6,6,6a]2)(CSi)	C(CC[6a])(SiC3)	Si(CCCH)3(CC)	C(C[6a]C[6,6,6a]2)(CSi)	174.2760	2.763	2	174.2760	7.636	2	174.2034	11.970	273	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CCCH)3(CC)	C(C[6a]C[6,6,6a]C[6a])(CSi)	C(CC[6a])(SiC3)	Si(CCCH)3(CC)	C(C[6a]C[6,6,6a]C[6a])(CSi)	173.1515	3.643	4	173.1515	13.271	4	174.2034	11.970	273	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CCCH)3(CC)	C(C[6a]C[6,6a]C[6a])(CSi)	C(CC[6a])(SiC3)	Si(CCCH)3(CC)	C(C[6a]C[6,6a]C[6a])(CSi)	165.6403	5.482	6	165.6403	30.053	6	174.2034	11.970	273	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CCCH)3(CC)	C(C[6a]C[6a,6a]2)(CSi)	C(CC[6a])(SiC3)	Si(CCCH)3(CC)	C(C[6a]C[6a,6a]2)(CSi)	173.7662	3.656	66	173.7662	13.364	66	174.2034	11.970	273	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CCCH)3(CC)	C(C[6a]C[6a,6a]C[5,6a])(CSi)	C(CC[6a])(SiC3)	Si(CCCH)3(CC)	C(C[6a]C[6a,6a]C[5,6a])(CSi)	173.5005	5.137	4	173.5005	26.390	4	174.2034	11.970	273	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CCCH)3(CC)	C(C[6a]C[6a,6a]C[6,6a])(CSi)	C(CC[6a])(SiC3)	Si(CCCH)3(CC)	C(C[6a]C[6a,6a]C[6,6a])(CSi)	173.4565	3.995	8	173.4565	15.964	8	174.2034	11.970	273	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CCCH)3(CC)	C(C[6a]C[6a,6a]C[6a])(CSi)	C(CC[6a])(SiC3)	Si(CCCH)3(CC)	C(C[6a]C[6a,6a]C[6a])(CSi)	173.5769	4.050	9	173.5769	16.406	9	174.2034	11.970	273	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CCCH)3(CC)	C(C[6a]C[6a]2)(CSi)	C(CC[6a])(SiC3)	Si(CCCH)3(CC)	C(C[6a]C[6a]2)(CSi)	174.9787	2.250	19	174.9787	5.063	19	174.2034	11.970	273	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CCCH)3(CC)	C(C[6a]C[6a]N[6a])(CSi)	C(CC[6a])(SiC3)	Si(CCCH)3(CC)	C(C[6a]C[6a]N[6a])(CSi)	173.9495	4.883	2	173.9495	23.840	2	174.2034	11.970	273	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CCHH)3(CC)	C(C[6a]C[5a,6a]2)(CSi)	C(CC[6a])(SiC3)	Si(CCHH)3(CC)	C(C[6a]C[5a,6a]2)(CSi)	178.9620	0.000	1	178.9620	0.000	1	174.2034	11.970	273	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CCHH)3(CC)	C(C[6a]C[6a,6a]2)(CSi)	C(CC[6a])(SiC3)	Si(CCHH)3(CC)	C(C[6a]C[6a,6a]2)(CSi)	172.9092	3.244	6	172.9092	10.524	6	174.2034	11.970	273	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CC[6a]2H)(CH3)2(CC)	C(C[6a]C[6a]2)(CSi)	C(CC[6a])(SiC3)	Si(CC[6a]2H)(CH3)2(CC)	C(C[6a]C[6a]2)(CSi)	168.6490	0.967	2	168.6490	0.936	2	174.2034	11.970	273	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CH3)3(CC)	C(C[6a]C[5,6a]2)(CSi)	C(CC[6a])(SiC3)	Si(CH3)3(CC)	C(C[6a]C[5,6a]2)(CSi)	176.0740	0.000	1	176.0740	0.000	1	174.2034	11.970	273	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CH3)3(CC)	C(C[6a]C[5,6a]C[6a])(CSi)	C(CC[6a])(SiC3)	Si(CH3)3(CC)	C(C[6a]C[5,6a]C[6a])(CSi)	175.8633	2.540	3	175.8633	6.451	3	174.2034	11.970	273	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CH3)3(CC)	C(C[6a]C[5a,6a]2)(CSi)	C(CC[6a])(SiC3)	Si(CH3)3(CC)	C(C[6a]C[5a,6a]2)(CSi)	174.3850	3.000	2	174.3850	8.997	2	174.2034	11.970	273	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CH3)3(CC)	C(C[6a]C[6,6,6a]2)(CSi)	C(CC[6a])(SiC3)	Si(CH3)3(CC)	C(C[6a]C[6,6,6a]2)(CSi)	175.2780	0.000	1	175.2780	0.000	1	174.2034	11.970	273	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CH3)3(CC)	C(C[6a]C[6,6a]C[6a])(CSi)	C(CC[6a])(SiC3)	Si(CH3)3(CC)	C(C[6a]C[6,6a]C[6a])(CSi)	174.6795	0.874	4	174.6795	0.763	4	174.2034	11.970	273	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CH3)3(CC)	C(C[6a]C[6a,6a]2)(CSi)	C(CC[6a])(SiC3)	Si(CH3)3(CC)	C(C[6a]C[6a,6a]2)(CSi)	173.1915	3.173	14	173.1915	10.069	14	174.2034	11.970	273	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CH3)3(CC)	C(C[6a]C[6a,6a]C[4,6a])(CSi)	C(CC[6a])(SiC3)	Si(CH3)3(CC)	C(C[6a]C[6a,6a]C[4,6a])(CSi)	170.2775	2.976	2	170.2775	8.858	2	174.2034	11.970	273	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CH3)3(CC)	C(C[6a]C[6a,6a]C[6a])(CSi)	C(CC[6a])(SiC3)	Si(CH3)3(CC)	C(C[6a]C[6a,6a]C[6a])(CSi)	175.0333	1.910	19	175.0333	3.649	19	174.2034	11.970	273	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CH3)3(CC)	C(C[6a]C[6a]2)(CSi)	C(CC[6a])(SiC3)	Si(CH3)3(CC)	C(C[6a]C[6a]2)(CSi)	175.2282	2.642	66	175.2282	6.981	66	174.2034	11.970	273	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CH3)3(CC)	C(C[6a]C[6a]N[6a])(CSi)	C(CC[6a])(SiC3)	Si(CH3)3(CC)	C(C[6a]C[6a]N[6a])(CSi)	175.6361	2.398	8	175.6361	5.752	8	174.2034	11.970	273	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CH3)3(CC)	C(C[6a]N[5a,6a]C[6a])(CSi)	C(CC[6a])(SiC3)	Si(CH3)3(CC)	C(C[6a]N[5a,6a]C[6a])(CSi)	176.1380	0.000	1	176.1380	0.000	1	174.2034	11.970	273	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiC3)	Si(CH3)3(CC)	C(C[6a]N[6a]2)(CSi)	C(CC[6a])(SiC3)	Si(CH3)3(CC)	C(C[6a]N[6a]2)(CSi)	176.6737	1.601	3	176.6737	2.562	3	174.2034	11.970	273	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	3:2:	C-2:Si-4:	Si-4:Si-4:Si-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SiSi3)	Si(SiC3)3(CC)	C(C[6a]C[6a,6a]2)(CSi)	C(CC[6a])(SiSi3)	Si(SiC3)3(CC)	C(C[6a]C[6a,6a]2)(CSi)	173.0915	3.284	4	173.0915	10.788	4	173.0915	10.788	4	174.4806	10.679	387	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	4:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	B[6]-4:C-2:	C(CB[6])(SiC3)	Si(CH3)3(CC)	C(B[6]C[6]2Zr)(CSi)	C(CB[6])(SiC3)	Si(CH3)3(CC)	C(B[6]C[6]2Zr)(CSi)	174.0280	0.000	1	174.0280	0.000	1	174.3117	1.752	3	173.9318	15.506	26	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	4:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	B[6]-4:C-2:	C(CB[6])(SiC3)	Si(CH3)3(CC)	C(B[6]N[5a,6]2C)(CSi)	C(CB[6])(SiC3)	Si(CH3)3(CC)	C(B[6]N[5a,6]2C)(CSi)	174.4535	1.839	2	174.4535	3.383	2	174.3117	1.752	3	173.9318	15.506	26	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	4:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[3,6]-4:C-2:	C(CC[3,6])(SiC3)	Si(CH3)3(CC)	C(C[3,6]C[3,6]C[3]C[6])(CSi)	C(CC[3,6])(SiC3)	Si(CH3)3(CC)	C(C[3,6]C[3,6]C[3]C[6])(CSi)	174.5990	0.000	1	174.5990	0.000	1	174.5990	0.000	1	173.9318	15.506	26	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	4:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[3x6]-4:C-2:	C(CC[3x6])(SiC3)	Si(CH3)3(CC)	C(C[3x6]C[6,6,6a]2O[6,6])(CSi)	C(CC[3x6])(SiC3)	Si(CH3)3(CC)	C(C[3x6]C[6,6,6a]2O[6,6])(CSi)	175.6345	3.260	2	175.6345	10.631	2	175.6345	10.631	2	173.9318	15.506	26	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	4:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[4]-4:C-2:	C(CC[4])(SiC3)	Si(CH3)3(CC)	C(C[4]C[4]N[4]C)(CSi)	C(CC[4])(SiC3)	Si(CH3)3(CC)	C(C[4]C[4]N[4]C)(CSi)	176.1780	0.000	1	176.1780	0.000	1	176.1780	0.000	1	173.9318	15.506	26	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	4:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[5,5]-4:C-2:	C(CC[5,5])(SiC3)	Si(CH3)3(CC)	C(C[5,5]Ga[5,5,6]C[5,5,6]C)(CSi)	C(CC[5,5])(SiC3)	Si(CH3)3(CC)	C(C[5,5]Ga[5,5,6]C[5,5,6]C)(CSi)	162.7960	0.000	2	162.7960	0.000	2	162.7960	0.000	2	173.9318	15.506	26	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	4:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[5,6]-4:C-2:	C(CC[5,6])(SiC3)	Si(CH3)3(CC)	C(C[5,6]C[5,5,6]C[5,6]O[5])(CSi)	C(CC[5,6])(SiC3)	Si(CH3)3(CC)	C(C[5,6]C[5,5,6]C[5,6]O[5])(CSi)	170.6290	0.000	1	170.6290	0.000	1	175.4528	11.036	5	173.9318	15.506	26	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	4:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[5,6]-4:C-2:	C(CC[5,6])(SiC3)	Si(CH3)3(CC)	C(C[5,6]C[5,5]O[5,6]C[6])(CSi)	C(CC[5,6])(SiC3)	Si(CH3)3(CC)	C(C[5,6]C[5,5]O[5,6]C[6])(CSi)	176.4360	0.850	2	176.4360	0.722	2	175.4528	11.036	5	173.9318	15.506	26	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	4:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[5,6]-4:C-2:	C(CC[5,6])(SiC3)	Si(CH3)3(CC)	C(C[5,6]C[5,6]2O[5])(CSi)	C(CC[5,6])(SiC3)	Si(CH3)3(CC)	C(C[5,6]C[5,6]2O[5])(CSi)	174.2230	0.000	1	174.2230	0.000	1	175.4528	11.036	5	173.9318	15.506	26	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	4:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[5,6]-4:C-2:	C(CC[5,6])(SiC3)	Si(CH3)3(CC)	C(C[5,6]C[5,6]C[6]O[5])(CSi)	C(CC[5,6])(SiC3)	Si(CH3)3(CC)	C(C[5,6]C[5,6]C[6]O[5])(CSi)	179.5400	0.000	1	179.5400	0.000	1	175.4528	11.036	5	173.9318	15.506	26	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	4:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[5]-4:C-2:	C(CC[5])(SiC3)	Si(CCCH)3(CC)	C(C[5]C[5,6a]2O)(CSi)	C(CC[5])(SiC3)	Si(CCCH)3(CC)	C(C[5]C[5,6a]2O)(CSi)	174.1730	0.000	1	174.1730	0.000	1	174.7322	1.994	4	173.9318	15.506	26	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	4:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[5]-4:C-2:	C(CC[5])(SiC3)	Si(CCCH)3(CC)	C(C[5]C[5]2C)(CSi)	C(CC[5])(SiC3)	Si(CCCH)3(CC)	C(C[5]C[5]2C)(CSi)	175.2750	0.000	1	175.2750	0.000	1	174.7322	1.994	4	173.9318	15.506	26	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	4:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[5]-4:C-2:	C(CC[5])(SiC3)	Si(CH3)3(CC)	C(C[5]C[5]2Ca)(CSi)	C(CC[5])(SiC3)	Si(CH3)3(CC)	C(C[5]C[5]2Ca)(CSi)	176.3800	0.000	1	176.3800	0.000	1	174.7322	1.994	4	173.9318	15.506	26	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	4:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[5]-4:C-2:	C(CC[5])(SiC3)	Si(CH3)3(CC)	C(C[5]C[5]2Fe)(CSi)	C(CC[5])(SiC3)	Si(CH3)3(CC)	C(C[5]C[5]2Fe)(CSi)	173.1010	0.000	1	173.1010	0.000	1	174.7322	1.994	4	173.9318	15.506	26	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	4:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6,6]-4:C-2:	C(CC[6,6])(SiC3)	Si(CC3)(CH3)2(CC)	C(C[6,6]C[5,6,6]C[6]2)(CSi)	C(CC[6,6])(SiC3)	Si(CC3)(CH3)2(CC)	C(C[6,6]C[5,6,6]C[6]2)(CSi)	172.8700	0.000	1	172.8700	0.000	1	172.8700	0.000	1	173.9318	15.506	26	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	4:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6]-4:C-2:	C(CC[6])(SiC3)	Si(CCCH)3(CC)	C(C[6]C[6,6a]2O)(CSi)	C(CC[6])(SiC3)	Si(CCCH)3(CC)	C(C[6]C[6,6a]2O)(CSi)	176.2720	0.000	1	176.2720	0.000	1	173.7820	9.322	4	173.9318	15.506	26	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	4:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6]-4:C-2:	C(CC[6])(SiC3)	Si(CH3)3(CC)	C(C[6]C[6,6a]2C[6])(CSi)	C(CC[6])(SiC3)	Si(CH3)3(CC)	C(C[6]C[6,6a]2C[6])(CSi)	171.1400	0.000	2	171.1400	0.000	2	173.7820	9.322	4	173.9318	15.506	26	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	4:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[6]-4:C-2:	C(CC[6])(SiC3)	Si(CH3)3(CC)	C(C[6]C[6,6a]2O)(CSi)	C(CC[6])(SiC3)	Si(CH3)3(CC)	C(C[6]C[6,6a]2O)(CSi)	176.5760	0.000	1	176.5760	0.000	1	173.7820	9.322	4	173.9318	15.506	26	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	4:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	Si[6]-4:C-2:	C(CSi[6])(SiC3)	Si(CH3)3(CC)	C(Si[6]C[6a]C[6]2)(CSi)	C(CSi[6])(SiC3)	Si(CH3)3(CC)	C(Si[6]C[6a]C[6]2)(CSi)	175.8213	2.195	3	175.8213	4.818	3	175.8213	4.818	3	173.9318	15.506	26	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	2:4:	4:4:4:2:	5:2:	C-2:Si-4:	C-4:C-4:C-4:C-2:	C[4x3,4x5,4x6]-5:C-2:	C(CC[4x3,4x5,4x6])(SiC3)	Si(CH3)3(CC)	C(C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(CSi)	C(CC[4x3,4x5,4x6])(SiC3)	Si(CH3)3(CC)	C(C[4x3,4x5,4x6]B[5x3,4,9x5,6,6]4)(CSi)	176.1745	1.339	2	176.1745	1.792	2	176.1745	1.792	2	176.1745	1.792	2	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	3:2:1:1:	4:2:	Si-4:C-2:	C[6a]-3:C-2:Cl-1:Cl-1:	Si-4:C-2:	C(SiC[6a]Cl2)(CSi)	Si(C[6a]C[6a]2)(CC)(Cl)2	C(SiC3)(CSi)	C(SiC[6a]Cl2)(CSi)	Si(C[6a]C[6a]2)(CC)(Cl)2	C(SiC3)(CSi)	172.9250	0.000	1	172.9250	0.000	1	172.9250	0.000	1	172.9250	0.000	1	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	3:3:2:2:	2:1:	Si-4:C-2:	C[6a]-3:C[6a]-3:C-2:C-2:	C-2:H-1:	C(SiC[6a]2C)(CH)	Si(C[6a]C[6a]2)2(CC)2	C(CSi)(H)	C(SiC[6a]2C)(CH)	Si(C[6a]C[6a]2)2(CC)2	C(CSi)(H)	177.2783	2.122	3	177.2783	4.501	3	177.2783	4.501	3	177.2783	4.501	3	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	3:3:2:2:	3:2:	Si-4:C-2:	C[6a]-3:C-3:C-2:C-2:	C[6a]-3:C-2:	C(SiC[6a]CC)(CC[6a])	Si(C[6a]C[6a]2)(CCH)(CC)2	C(C[6a]C[6a]2)(CSi)	C(SiC[6a]CC)(CC[6a])	Si(C[6a]C[6a]2)(CCH)(CC)2	C(C[6a]C[6a]2)(CSi)	174.6165	2.972	2	174.6165	8.833	2	174.6165	8.833	2	174.6165	8.833	2	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	3:3:2:2:	4:2:	Si-4:C-2:	C[6a]-3:C[6a]-3:C-2:C-2:	Si-4:C-2:	C(SiC[6a]2C)(CSi)	Si(C[6a]C[6a]2)2(CC)2	C(SiC3)(CSi)	C(SiC[6a]2C)(CSi)	Si(C[6a]C[6a]2)2(CC)2	C(SiC3)(CSi)	177.4845	1.138	2	177.4845	1.294	2	177.4845	1.294	2	177.4845	1.294	2	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	3:3:3:2:	2:2:	Si-4:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C-2:C-2:	C(SiC[6a]3)(CC)	Si(C[6a]C[6a]2)3(CC)	C(CSi)(CC)	C(SiC[6a]3)(CC)	Si(C[6a]C[6a]2)3(CC)	C(CSi)(CC)	175.6255	2.213	2	175.6255	4.895	2	175.1203	3.213	3	175.4595	2.602	4	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	3:3:3:2:	2:2:	Si-4:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C-2:C-2:	C(SiC[6a]3)(CC)	Si(C[6a]C[6a]2)3(CC)	C(CSi)(CW)	C(SiC[6a]3)(CC)	Si(C[6a]C[6a]2)3(CC)	C(CSi)(CW)	174.1100	0.000	1	174.1100	0.000	1	175.1203	3.213	3	175.4595	2.602	4	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	3:3:3:2:	2:2:	Si-4:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C-2:Se-2:	C(SiC[6a]3)(CSe)	Si(C[6a]C[6a]2)3(CC)	C(CSi)(SeC)	C(SiC[6a]3)(CSe)	Si(C[6a]C[6a]2)3(CC)	C(CSi)(SeC)	176.4770	0.000	1	176.4770	0.000	1	176.4770	0.000	1	175.4595	2.602	4	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	3:3:3:2:	3:2:	Si-4:C-2:	C-3:C-3:C-3:C-2:	C-3:C-2:	C(SiC3)(CC)	Si(CCC)3(CC)	C(CCC)(CSi)	C(SiC3)(CC)	Si(CCC)3(CC)	C(CCC)(CSi)	177.6705	1.961	2	177.6705	3.845	2	177.6705	3.845	2	175.9167	8.803	4	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	3:3:3:2:	3:2:	Si-4:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C-3:C-2:	C(SiC[6a]3)(CC)	Si(C[6a]C[6a]2)3(CC)	C(CCS)(CSi)	C(SiC[6a]3)(CC)	Si(C[6a]C[6a]2)3(CC)	C(CCS)(CSi)	171.8980	0.000	1	171.8980	0.000	1	171.8980	0.000	1	175.9167	8.803	4	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	3:3:3:2:	3:2:	Si-4:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C(SiC[6a]3)(CC[6a])	Si(C[6a]C[6a]2)3(CC)	C(C[6a]C[6a,6a]C[6a])(CSi)	C(SiC[6a]3)(CC[6a])	Si(C[6a]C[6a]2)3(CC)	C(C[6a]C[6a,6a]C[6a])(CSi)	176.4280	0.000	1	176.4280	0.000	1	176.4280	0.000	1	175.9167	8.803	4	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	3:3:4:2:	2:2:	Si-4:C-2:	C[6a]-3:C[6a]-3:C-4:C-2:	C-2:C-2:	C(SiC[6a]2C)(CC)	Si(C[6a]C[6a]2)2(CC3)(CC)	C(CSi)(CC)	C(SiC[6a]2C)(CC)	Si(C[6a]C[6a]2)2(CC3)(CC)	C(CSi)(CC)	177.1880	0.000	1	177.1880	0.000	1	177.1880	0.000	1	177.1880	0.000	1	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	3:3:4:2:	4:2:	Si-4:C-2:	C[6a]-3:C[6a]-3:C-4:C-2:	C-4:C-2:	C(SiC[6a]2C)(CC)	Si(C[6a]C[6a]2)2(CNi2C)(CC)	C(CC3)(CSi)	C(SiC[6a]2C)(CC)	Si(C[6a]C[6a]2)2(CNi2C)(CC)	C(CC3)(CSi)	175.4450	0.000	1	175.4450	0.000	1	175.4450	0.000	1	175.4450	0.000	1	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	3:4:2:2:	2:1:	Si-4:C-2:	C[6a]-3:C-4:C-2:C-2:	C-2:H-1:	C(SiC[6a]CC)(CH)	Si(C[6a]C[6a,6a]C[6a])(CH3)(CC)2	C(CSi)(H)	C(SiC[6a]CC)(CH)	Si(C[6a]C[6a,6a]C[6a])(CH3)(CC)2	C(CSi)(H)	175.6233	1.650	8	175.6233	2.721	8	175.6233	2.721	8	175.6233	2.721	8	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	3:4:2:2:	3:2:	Si-4:C-2:	C[6a]-3:C-4:C-2:C-2:	C[6a]-3:C-2:	C(SiC[6a]CC)(CC[6a])	Si(C[6a]C[6a,6a]C[6a])(CH3)(CC)2	C(C[6a]C[6a]2)(CSi)	C(SiC[6a]CC)(CC[6a])	Si(C[6a]C[6a,6a]C[6a])(CH3)(CC)2	C(C[6a]C[6a]2)(CSi)	175.8621	1.557	10	175.8621	2.425	10	175.8621	2.425	10	175.8621	2.425	10	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	3:4:2:2:	4:2:	Si-4:C-2:	C[6a]-3:C-4:C-2:C-2:	Si-4:C-2:	C(SiC[6a]CC)(CSi)	Si(C[6a]C[6a]2)(CH3)(CC)2	C(SiC3)(CSi)	C(SiC[6a]CC)(CSi)	Si(C[6a]C[6a]2)(CH3)(CC)2	C(SiC3)(CSi)	176.6805	2.021	4	176.6805	4.086	4	176.6805	4.086	4	176.6805	4.086	4	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:2:2:2:	4:2:	Si-4:C-2:	C-4:C-2:C-2:C-2:	Si-4:C-2:	C(SiC3)(CSi)	Si(CH3)(CC)3	C(SiC3)(CSi)	C(SiC3)(CSi)	Si(CH3)(CC)3	C(SiC3)(CSi)	177.6895	0.588	12	177.6895	0.346	12	177.6895	0.346	12	177.6895	0.346	12	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:2:1:	3:2:	Si-4:C-2:	Si-4:Si-4:C-2:H-1:	C[6a]-3:C-2:	C(SiSi2H)(CC[6a])	Si(SiC3)2(CC)(H)	C(C[6a]C[6a]2)(CSi)	C(SiSi2H)(CC[6a])	Si(SiC3)2(CC)(H)	C(C[6a]C[6a]2)(CSi)	174.4160	0.000	1	174.4160	0.000	1	174.4160	0.000	1	174.4160	0.000	1	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:2:2:	2:1:	Si-4:C-2:	C-4:C-4:O-2:C-2:	C-2:H-1:	C(SiCCO)(CH)	Si(CH3)2(OSi)(CC)	C(CSi)(H)	C(SiCCO)(CH)	Si(CH3)2(OSi)(CC)	C(CSi)(H)	175.8220	0.461	4	175.8220	0.212	4	175.8220	0.212	4	175.8220	0.212	4	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:2:2:	4:2:	Si-4:C-2:	C-4:C-4:C-2:C-2:	Si-4:C-2:	C(SiC3)(CSi)	Si(CH3)2(CC)2	C(SiC3)(CSi)	C(SiC3)(CSi)	Si(CH3)2(CC)2	C(SiC3)(CSi)	176.5040	0.000	1	176.5040	0.000	1	176.5040	0.000	1	176.7947	0.064	3	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:2:2:	4:2:	Si-4:C-2:	C-4:C-4:C-2:O-2:	Si-4:C-2:	C(SiCCO)(CSi)	Si(CH3)2(CC)(OO)	C(SiCCO)(CSi)	C(SiCCO)(CSi)	Si(CH3)2(CC)(OO)	C(SiCCO)(CSi)	176.9400	0.045	2	176.9400	0.002	2	176.9400	0.002	2	176.7947	0.064	3	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:3:2:	2:2:	Si-4:C-2:	C-4:C-4:C-3:C-2:	C-2:C-2:	C(SiC3)(CC)	Si(CH3)2(CHH)(CC)	C(CSi)(CC)	C(SiC3)(CC)	Si(CH3)2(CHH)(CC)	C(CSi)(CC)	175.7505	2.805	2	175.7505	7.869	2	175.7505	7.869	2	175.7505	7.869	2	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:3:2:	3:2:	Si-4:C-2:	Si-4:Si-4:C-3:C-2:	C[6a]-3:C-2:	C(SiSi2C)(CC[6a])	Si(SiC3)2(CCH)(CC)	C(C[6a]C[6a]2)(CSi)	C(SiSi2C)(CC[6a])	Si(SiC3)2(CCH)(CC)	C(C[6a]C[6a]2)(CSi)	175.8680	0.000	1	175.8680	0.000	1	175.8680	0.000	1	175.8680	0.000	1	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	2:1:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-2:H-1:	C(SiC3)(CH)	Si(CH3)3(CC)	C(CSi)(H)	C(SiC3)(CH)	Si(CH3)3(CC)	C(CSi)(H)	176.6657	0.687	3	176.6657	0.472	3	176.6657	0.472	3	176.6657	0.472	3	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	2:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-2:C-2:	C(SiC3)(CC)	Si(CCCH)3(CC)	C(CSi)(CC)	C(SiC3)(CC)	Si(CCCH)3(CC)	C(CSi)(CC)	176.1667	0.912	3	176.1667	0.832	3	175.6202	7.096	19	175.6134	6.416	21	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	2:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-2:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CSi)(CC)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CSi)(CC)	175.5178	2.887	16	175.5178	8.333	16	175.6202	7.096	19	175.6134	6.416	21	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	2:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-2:Se-2:	C(SiC3)(CSe)	Si(CCCH)3(CC)	C(CSi)(SeC)	C(SiC3)(CSe)	Si(CCCH)3(CC)	C(CSi)(SeC)	175.0120	0.000	1	175.0120	0.000	1	175.0120	0.000	1	175.6134	6.416	21	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	2:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	Se-2:C-2:	C(SiC3)(CSe)	Si(CH3)3(CC)	C(SeRu)(CSi)	C(SiC3)(CSe)	Si(CH3)3(CC)	C(SeRu)(CSi)	176.0850	0.000	1	176.0850	0.000	1	176.0850	0.000	1	175.6134	6.416	21	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	B-3:C-2:	C(SiC3)(CB)	Si(CH3)3(CC)	C(BBN)(CSi)	C(SiC3)(CB)	Si(CH3)3(CC)	C(BBN)(CSi)	173.7120	0.000	1	173.7120	0.000	1	175.7780	3.327	3	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	B-3:C-2:	C(SiC3)(CB)	Si(CH3)3(CC)	C(BNO)(CSi)	C(SiC3)(CB)	Si(CH3)3(CC)	C(BNO)(CSi)	176.8110	0.501	2	176.8110	0.251	2	175.7780	3.327	3	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-3:C-2:	C(SiC3)(CC)	Si(CC3)(CH3)2(CC)	C(CCH)(CSi)	C(SiC3)(CC)	Si(CC3)(CH3)2(CC)	C(CCH)(CSi)	172.4465	1.829	4	172.4465	3.346	4	173.8468	14.068	94	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-3:C-2:	C(SiC3)(CC)	Si(CCCH)3(CC)	C(CCC)(CSi)	C(SiC3)(CC)	Si(CCCH)3(CC)	C(CCC)(CSi)	176.6790	2.927	2	176.6790	8.570	2	173.8468	14.068	94	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-3:C-2:	C(SiC3)(CC)	Si(CCCH)3(CC)	C(CCH)(CSi)	C(SiC3)(CC)	Si(CCCH)3(CC)	C(CCH)(CSi)	175.1019	2.684	7	175.1019	7.207	7	173.8468	14.068	94	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-3:C-2:	C(SiC3)(CC)	Si(CCCH)3(CC)	C(CCN)(CSi)	C(SiC3)(CC)	Si(CCCH)3(CC)	C(CCN)(CSi)	176.3280	0.000	1	176.3280	0.000	1	173.8468	14.068	94	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-3:C-2:	C(SiC3)(CC)	Si(CCCH)3(CC)	C(CC[5]C)(CSi)	C(SiC3)(CC)	Si(CCCH)3(CC)	C(CC[5]C)(CSi)	176.0900	0.000	1	176.0900	0.000	1	173.8468	14.068	94	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-3:C-2:	C(SiC3)(CC)	Si(CCCH)3(CC)	C(CC[5]H)(CSi)	C(SiC3)(CC)	Si(CCCH)3(CC)	C(CC[5]H)(CSi)	176.3070	0.000	1	176.3070	0.000	1	173.8468	14.068	94	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-3:C-2:	C(SiC3)(CC)	Si(CCCH)3(CC)	C(CC[5a]2)(CSi)	C(SiC3)(CC)	Si(CCCH)3(CC)	C(CC[5a]2)(CSi)	173.8107	2.653	10	173.8107	7.038	10	173.8468	14.068	94	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-3:C-2:	C(SiC3)(CC)	Si(CCCH)3(CC)	C(CC[5a]C[5])(CSi)	C(SiC3)(CC)	Si(CCCH)3(CC)	C(CC[5a]C[5])(CSi)	179.5180	0.000	1	179.5180	0.000	1	173.8468	14.068	94	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-3:C-2:	C(SiC3)(CC)	Si(CCCH)3(CC)	C(CC[5a]O)(CSi)	C(SiC3)(CC)	Si(CCCH)3(CC)	C(CC[5a]O)(CSi)	173.0090	0.000	1	173.0090	0.000	1	173.8468	14.068	94	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-3:C-2:	C(SiC3)(CC)	Si(CCCH)3(CC)	C(CC[6a]C)(CSi)	C(SiC3)(CC)	Si(CCCH)3(CC)	C(CC[6a]C)(CSi)	175.4165	5.322	2	175.4165	28.328	2	173.8468	14.068	94	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-3:C-2:	C(SiC3)(CC)	Si(CCHH)3(CC)	C(CPdC)(CSi)	C(SiC3)(CC)	Si(CCHH)3(CC)	C(CPdC)(CSi)	175.8630	0.000	1	175.8630	0.000	1	173.8468	14.068	94	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-3:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CAlC)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CAlC)(CSi)	167.8385	0.598	2	167.8385	0.357	2	173.8468	14.068	94	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-3:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CCC)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CCC)(CSi)	169.5271	5.939	7	169.5271	35.276	7	173.8468	14.068	94	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-3:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CCF)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CCF)(CSi)	176.8420	0.000	1	176.8420	0.000	1	173.8468	14.068	94	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-3:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CCH)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CCH)(CSi)	175.3947	2.664	21	175.3947	7.099	21	173.8468	14.068	94	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-3:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CCO)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CCO)(CSi)	178.2100	0.000	1	178.2100	0.000	1	173.8468	14.068	94	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-3:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CCP)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CCP)(CSi)	174.2120	0.000	1	174.2120	0.000	1	173.8468	14.068	94	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-3:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CCS)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CCS)(CSi)	177.0940	0.000	1	177.0940	0.000	1	173.8468	14.068	94	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-3:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CC[5,5]C)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CC[5,5]C)(CSi)	162.4840	0.000	2	162.4840	0.000	2	173.8468	14.068	94	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-3:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CC[5]C)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CC[5]C)(CSi)	175.4187	2.812	4	175.4187	7.906	4	173.8468	14.068	94	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-3:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CC[5]O)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CC[5]O)(CSi)	176.0330	0.000	1	176.0330	0.000	1	173.8468	14.068	94	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-3:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CC[5a]C[5])(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CC[5a]C[5])(CSi)	173.6483	2.272	6	173.6483	5.163	6	173.8468	14.068	94	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-3:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CC[6a]C)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CC[6a]C)(CSi)	172.7597	3.286	7	172.7597	10.799	7	173.8468	14.068	94	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-3:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CGeC)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CGeC)(CSi)	173.0660	0.000	1	173.0660	0.000	1	173.8468	14.068	94	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-3:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CNN)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CNN)(CSi)	171.3390	0.000	1	171.3390	0.000	1	173.8468	14.068	94	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-3:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CN[6]C)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CN[6]C)(CSi)	175.1810	0.000	1	175.1810	0.000	1	173.8468	14.068	94	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-3:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CSiC)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CSiC)(CSi)	173.9150	1.296	4	173.9150	1.681	4	173.8468	14.068	94	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-3:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CTiC)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CTiC)(CSi)	172.7720	1.780	2	172.7720	3.170	2	173.8468	14.068	94	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	Ge-3:C-2:	C(SiC3)(CGe)	Si(CH3)3(CC)	C(GeC[6a]Ge)(CSi)	C(SiC3)(CGe)	Si(CH3)3(CC)	C(GeC[6a]Ge)(CSi)	176.1270	0.000	1	176.1270	0.000	1	176.1270	0.000	1	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	P-3:C-2:	C(SiC3)(CP)	Si(CH3)3(CC)	C(PC[6a]C)(CSi)	C(SiC3)(CP)	Si(CH3)3(CC)	C(PC[6a]C)(CSi)	174.1045	0.070	2	174.1045	0.005	2	174.1045	0.005	2	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	S-3:C-2:	C(SiC3)(CS)	Si(CH3)3(CC)	C(SRu2)(CSi)	C(SiC3)(CS)	Si(CH3)3(CC)	C(SRu2)(CSi)	178.2410	0.000	1	178.2410	0.000	1	178.2410	0.000	1	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	Si-3:C-2:	C(SiC3)(CSi)	Si(CH3)3(CC)	C(SiC[6a]Si)(CSi)	C(SiC3)(CSi)	Si(CH3)3(CC)	C(SiC[6a]Si)(CSi)	176.2090	0.000	1	176.2090	0.000	1	176.2090	0.000	1	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C-4:Si-4:Si-4:C-2:	C[6a]-3:C-2:	C(SiSi2C)(CC[6a])	Si(CCo2C)(SiC3)2(CC)	C(C[6a]C[6a]2)(CSi)	C(SiSi2C)(CC[6a])	Si(CCo2C)(SiC3)2(CC)	C(C[6a]C[6a]2)(CSi)	169.0255	0.210	2	169.0255	0.044	2	169.0255	0.044	2	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C[6]-4:C-4:C-4:C-2:	C[6a]-3:C-2:	C(SiC[6]CC)(CC[6a])	Si(C[6]C[6]2Cr)(CH3)2(CC)	C(C[6a]C[6a]2)(CSi)	C(SiC[6]CC)(CC[6a])	Si(C[6]C[6]2Cr)(CH3)2(CC)	C(C[6a]C[6a]2)(CSi)	177.6930	0.638	2	177.6930	0.407	2	177.1635	3.826	6	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	3:2:	Si-4:C-2:	C[6]-4:C-4:C-4:C-2:	C[6a]-3:C-2:	C(SiC[6]CC)(CC[6a])	Si(C[6]C[6]2Mo)(CH3)2(CC)	C(C[6a]C[6a]2)(CSi)	C(SiC[6]CC)(CC[6a])	Si(C[6]C[6]2Mo)(CH3)2(CC)	C(C[6a]C[6a]2)(CSi)	176.8988	2.442	4	176.8988	5.962	4	177.1635	3.826	6	174.0796	13.597	110	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-4:C-2:	C(SiC3)(CC)	Si(CCCH)3(CC)	C(CCCN)(CSi)	C(SiC3)(CC)	Si(CCCH)3(CC)	C(CCCN)(CSi)	169.7630	0.000	1	169.7630	0.000	1	175.0734	6.759	52	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-4:C-2:	C(SiC3)(CC)	Si(CCCH)3(CC)	C(CC[5]HH)(CSi)	C(SiC3)(CC)	Si(CCCH)3(CC)	C(CC[5]HH)(CSi)	175.0785	0.677	2	175.0785	0.458	2	175.0734	6.759	52	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-4:C-2:	C(SiC3)(CC)	Si(CCCH)3(CC)	C(CCo2C)(CSi)	C(SiC3)(CC)	Si(CCCH)3(CC)	C(CCo2C)(CSi)	172.8342	2.985	4	172.8342	8.912	4	175.0734	6.759	52	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-4:C-2:	C(SiC3)(CC)	Si(CCHH)(CH3)2(CC)	C(CSiHH)(CSi)	C(SiC3)(CC)	Si(CCHH)(CH3)2(CC)	C(CSiHH)(CSi)	172.5040	0.805	2	172.5040	0.648	2	175.0734	6.759	52	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-4:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CC3)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CC3)(CSi)	174.4505	3.559	4	174.4505	12.663	4	175.0734	6.759	52	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-4:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CCCH)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CCCH)(CSi)	176.4000	0.000	1	176.4000	0.000	1	175.0734	6.759	52	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-4:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CCCU)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CCCU)(CSi)	175.0180	0.000	1	175.0180	0.000	1	175.0734	6.759	52	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-4:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CCHH)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CCHH)(CSi)	177.4155	1.391	2	177.4155	1.935	2	175.0734	6.759	52	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-4:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CCHN)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CCHN)(CSi)	176.7250	1.375	3	176.7250	1.892	3	175.0734	6.759	52	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-4:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CCHO)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CCHO)(CSi)	176.9580	0.000	1	176.9580	0.000	1	175.0734	6.759	52	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-4:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CCOP)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CCOP)(CSi)	174.5320	0.000	1	174.5320	0.000	1	175.0734	6.759	52	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-4:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CC[5]CH)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CC[5]CH)(CSi)	176.9705	2.403	4	176.9705	5.776	4	175.0734	6.759	52	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-4:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CC[5a]2C)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CC[5a]2C)(CSi)	176.7830	1.421	2	176.7830	2.020	2	175.0734	6.759	52	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-4:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CC[6]ZrC)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CC[6]ZrC)(CSi)	172.9770	0.000	1	172.9770	0.000	1	175.0734	6.759	52	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-4:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CC[6a]CH)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CC[6a]CH)(CSi)	175.6770	1.633	3	175.6770	2.666	3	175.0734	6.759	52	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-4:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CC[6a]CO)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CC[6a]CO)(CSi)	175.7083	2.128	3	175.7083	4.529	3	175.0734	6.759	52	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-4:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CC[6a]HH)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CC[6a]HH)(CSi)	175.5390	0.000	1	175.5390	0.000	1	175.0734	6.759	52	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-4:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CC[6a]HO)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CC[6a]HO)(CSi)	173.9435	1.434	4	173.9435	2.055	4	175.0734	6.759	52	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-4:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CCo2C)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CCo2C)(CSi)	175.2480	0.000	1	175.2480	0.000	1	175.0734	6.759	52	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-4:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CCo3)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CCo3)(CSi)	166.7780	0.000	1	166.7780	0.000	1	175.0734	6.759	52	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-4:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CFHS)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CFHS)(CSi)	177.0300	0.000	1	177.0300	0.000	1	175.0734	6.759	52	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-4:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CFe3)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CFe3)(CSi)	175.4450	0.000	1	175.4450	0.000	1	175.0734	6.759	52	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-4:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CHHO)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CHHO)(CSi)	172.0030	0.000	1	172.0030	0.000	1	175.0734	6.759	52	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-4:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(COs2C)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(COs2C)(CSi)	176.7170	0.000	1	176.7170	0.000	1	175.0734	6.759	52	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-4:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CSiHN)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CSiHN)(CSi)	177.5560	0.590	4	177.5560	0.348	4	175.0734	6.759	52	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-4:C-2:	C(SiC3)(CC)	Si(CSiHH)(CH3)2(CC)	C(CSiHH)(CSi)	C(SiC3)(CC)	Si(CSiHH)(CH3)2(CC)	C(CSiHH)(CSi)	174.2490	1.105	2	174.2490	1.220	2	175.0734	6.759	52	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	S-4:C-2:	C(SiC3)(CS)	Si(CH3)3(CC)	C(SC[6a]OO)(CSi)	C(SiC3)(CS)	Si(CH3)3(CC)	C(SC[6a]OO)(CSi)	178.6400	0.673	2	178.6400	0.453	2	178.6400	0.453	2	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	Si-4:C-2:	C(SiC3)(CSi)	Si(CH3)3(CC)	C(SiC3)(CSi)	C(SiC3)(CSi)	Si(CH3)3(CC)	C(SiC3)(CSi)	178.9198	0.613	9	178.9198	0.376	9	177.3925	7.137	20	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	Si-4:C-2:	C(SiC3)(CSi)	Si(CH3)3(CC)	C(SiC[6a]2C)(CSi)	C(SiC3)(CSi)	Si(CH3)3(CC)	C(SiC[6a]2C)(CSi)	178.0995	1.078	2	178.0995	1.163	2	177.3925	7.137	20	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	Si-4:C-2:	C(SiC3)(CSi)	Si(CH3)3(CC)	C(SiC[6a]CC)(CSi)	C(SiC3)(CSi)	Si(CH3)3(CC)	C(SiC[6a]CC)(CSi)	177.6318	0.788	4	177.6318	0.621	4	177.3925	7.137	20	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	Si-4:C-2:	C(SiC3)(CSi)	Si(CH3)3(CC)	C(SiC[6a]Cl2)(CSi)	C(SiC3)(CSi)	Si(CH3)3(CC)	C(SiC[6a]Cl2)(CSi)	179.4120	0.000	1	179.4120	0.000	1	177.3925	7.137	20	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	Si-4:C-2:	C(SiC3)(CSi)	Si(CSnHH)(CH3)2(CC)	C(SiC3)(CSi)	C(SiC3)(CSi)	Si(CSnHH)(CH3)2(CC)	C(SiC3)(CSi)	172.8585	2.649	4	172.8585	7.017	4	177.3925	7.137	20	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	Si-4:C-4:C-4:C-2:	C-4:C-2:	C(SiSiCC)(CC)	Si(SiC3)(CH3)2(CC)	C(CCHH)(CSi)	C(SiSiCC)(CC)	Si(SiC3)(CH3)2(CC)	C(CCHH)(CSi)	156.0365	0.313	2	156.0365	0.098	2	168.2670	97.550	6	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	Si-4:C-4:C-4:C-2:	C-4:C-2:	C(SiSiCC)(CC)	Si(SiC3)(CH3)2(CC)	C(CHHS)(CSi)	C(SiSiCC)(CC)	Si(SiC3)(CH3)2(CC)	C(CHHS)(CSi)	177.3015	0.697	2	177.3015	0.485	2	168.2670	97.550	6	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	4:2:	Si-4:C-2:	Si-4:C-4:C-4:C-2:	C-4:C-2:	C(SiSiCC)(CC)	Si(SiC3)(CH3)2(CC)	C(CSiHH)(CSi)	C(SiSiCC)(CC)	Si(SiC3)(CH3)2(CC)	C(CSiHH)(CSi)	171.4630	2.079	2	171.4630	4.322	2	168.2670	97.550	6	175.2319	17.436	80	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	5:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	C-5:C-2:	C(SiC3)(CC)	Si(CH3)3(CC)	C(CCo2RuC)(CSi)	C(SiC3)(CC)	Si(CH3)3(CC)	C(CCo2RuC)(CSi)	175.7040	0.000	1	175.7040	0.000	1	175.7040	0.000	1	176.3383	0.306	3	174.6883	11.456	702	174.6883	11.456	702
983	880	983	0:SP1_SP1_SP3	C	Si	C	4:2:	4:4:4:2:	5:2:	Si-4:C-2:	C-4:C-4:C-4:C-2:	Si-5:C-2:	C(SiC3)(CSi)	Si(CH3)3(CC)	C(SiC[5]2FeC)(CSi)	C(SiC3)(CSi)	Si(CH3)3(CC)	C(SiC[5]2FeC)(CSi)	176.6555	0.097	2	176.6555	0.009	2	176.6555	0.009	2	176.3383	0.306	3	174.6883	11.456	702	174.6883	11.456	702
983	882	983	0:SP1_SP1_SP3	C	P[4]	C	3:2:	3:3:2:	3:2:	P[4]-3:C-2:	C[4]-3:C[4]-3:C-2:	C[6a]-3:C-2:	C(P[4]C[4]2)(CC[6a])	P[4](C[4]C[5]P[4])2(CC)	C(C[6a]C[6a]2)(CP[4])	C(P[4]C[4]2)(CC[6a])	P[4](C[4]C[5]P[4])2(CC){1|H<1>,4|N<3>}	C(C[6a]C[6a]2)(CP[4])	168.2580	0.000	1	168.2580	0.000	1	168.2580	0.000	1	170.8680	4.795	4	170.8680	4.795	4	170.8680	4.795	4
983	882	983	0:SP1_SP1_SP3	C	P[4]	C	3:2:	3:3:2:	3:2:	P[4]-3:C-2:	N[4]-3:N[4]-3:C-2:	C[6a]-3:C-2:	C(P[4]N[4]2)(CC[6a])	P[4](N[4]P[4]C)2(CC)	C(C[6a]C[6a]2)(CP[4])	C(P[4]N[4]2)(CC[6a])	P[4](N[4]P[4]C)2(CC){1|C<2>}	C(C[6a]C[6a]2)(CP[4])	171.7380	1.628	3	171.7380	2.651	3	171.7380	2.651	3	170.8680	4.795	4	170.8680	4.795	4	170.8680	4.795	4
983	892	899	0:SP1_SP-NON_SP3	C	N	C	4:1:	2:2:2:2:	2:	N-4:C-1:	C-2:C-2:C-2:C-2:	C-2:	C(NC3)(C)	N(CC)4	C(CN)	C(NC3)(C)	N(CC)4	C(CN)	114.0287	1.304	6	114.0287	1.700	6	114.0287	1.700	6	114.0287	1.700	6	114.0287	1.700	6	114.0287	1.700	6
983	892	901	0:SP1_SP1_SP3	C	N	N	4:1:	2:1:1:1:	2:	N-4:N-1:	C-2:H-1:H-1:H-1:	C-2:	C(NH3)(N)	N(CN)(H)3	N(CN)	C(NH3)(N)	N(CN)(H)3	N(CN)	178.6430	0.000	1	178.6430	0.000	1	178.6430	0.000	1	178.6430	0.000	1	178.6430	0.000	1	178.6430	0.000	1
983	892	930	0:SP1_SP2_SP3	C	N	C	4:3:	2:2:2:2:	2:1:1:	N-4:C-3:	C-2:C-2:C-2:C-2:	C-2:H-1:H-1:	C(NC3)(CHH)	N(CC)4	C(CN)(H)2	C(NC3)(CHH)	N(CC)4	C(CN)(H)2	107.8650	0.000	1	107.8650	0.000	1	107.8650	0.000	1	107.8650	0.000	1	115.4530	115.155	2	115.4530	115.155	2
983	892	930	0:SP1_SP2_SP3	C	N	C	4:3:	2:2:2:2:	4:2:1:	N-4:C-3:	C-2:C-2:C-2:C-2:	C-4:C-2:O-1:	C(NC3)(CCO)	N(CC)4	C(CH3)(CN)(O)	C(NC3)(CCO)	N(CC)4	C(CH3)(CN)(O)	123.0410	0.000	1	123.0410	0.000	1	123.0410	0.000	1	123.0410	0.000	1	115.4530	115.155	2	115.4530	115.155	2
983	892	983	0:SP1_SP1_SP3	C	N	C	4:2:	2:1:1:1:	2:2:	N-4:C-2:	C-2:H-1:H-1:H-1:	C-2:C-2:	C(NH3)(CC)	N(CC)(H)3	C(CC)(CN)	C(NH3)(CC)	N(CC)(H)3	C(CC)(CN)	122.4660	0.000	1	122.4660	0.000	1	122.4660	0.000	1	122.4660	0.000	1	114.6781	30.974	39	114.6781	30.974	39
983	892	983	0:SP1_SP1_SP3	C	N	C	4:2:	2:1:1:1:	4:2:	N-4:C-2:	C-2:H-1:H-1:H-1:	N-4:C-2:	C(NH3)(CN)	N(CC)(H)3	C(NH3)(CN)	C(NH3)(CN)	N(CC)(H)3	C(NH3)(CN)	109.3930	0.000	1	109.3930	0.000	1	109.3930	0.000	1	109.3930	0.000	1	114.6781	30.974	39	114.6781	30.974	39
983	892	983	0:SP1_SP1_SP3	C	N	C	4:2:	2:2:2:2:	2:2:	N-4:C-2:	C-2:C-2:C-2:C-2:	C-2:C-2:	C(NC3)(CC)	N(CC)4	C(CC)(CN)	C(NC3)(CC)	N(CC)4	C(CC)(CN)	114.0805	4.517	36	114.0805	20.407	36	114.0805	20.407	36	114.0805	20.407	36	114.6781	30.974	39	114.6781	30.974	39
983	892	983	0:SP1_SP1_SP3	C	N	C	4:2:	4:2:1:1:	4:2:	N-4:C-2:	C-4:C-2:H-1:H-1:	N-4:C-2:	C(NCHH)(CN)	N(CCHH)(CC)(H)2	C(NCHH)(CN)	C(NCHH)(CN)	N(CCHH)(CC)(H)2	C(NCHH)(CN)	133.6870	0.000	1	133.6870	0.000	1	133.6870	0.000	1	133.6870	0.000	1	114.6781	30.974	39	114.6781	30.974	39
983	893	899	0:SP1_SP-NON_SP2	C	O	C	2:1:	3:2:	2:	O-2:C-1:	C[3]-3:C-2:	C-2:	C(OC[3])(C)	O(C[3]C[3]O[3])(CC)	C(CO)	C(OC[3])(C)	O(C[3]C[3]O[3])(CC)	C(CO)	92.0480	0.000	1	92.0480	0.000	1	92.0480	0.000	1	92.0480	0.000	1	92.0480	0.000	1	92.0480	0.000	1
983	893	899	0:SP1_SP-NON_SP3	C	O	C	2:1:	2:2:	2:	O-2:C-1:	C-2:C-2:	C-2:	C(OC)(C)	O(CC)2	C(CO)	C(OC)(C)	O(CC)2	C(CO)	126.0040	20.530	7	126.0040	421.497	7	126.0040	421.497	7	121.9350	383.555	9	121.9350	383.555	9	121.9350	383.555	9
983	893	899	0:SP1_SP-NON_SP3	C	O	C	2:1:	2:2:	2:	O-2:C-1:	C-2:O-2:	C-2:	C(OO)(C)	O(CC)(OC)	C(CO)	C(OO)(C)	O(CC)(OC)	C(CO)	107.6935	4.233	2	107.6935	17.922	2	107.6935	17.922	2	121.9350	383.555	9	121.9350	383.555	9	121.9350	383.555	9
983	893	901	0:SP1_SP1_SP2	C	O	N	2:1:	3:2:	2:	O-2:N-1:	C[6a]-3:C-2:	C-2:	C(OC[6a])(N)	O(C[6a]C[6a]2)(CN)	N(CO)	C(OC[6a])(N)	O(C[6a]C[6a]2)(CN)	N(CO)	176.3991	1.190	17	176.3991	1.417	17	176.3991	1.417	17	176.3991	1.417	17	176.3991	1.417	17	176.3991	1.417	17
983	893	930	0:SP1_SP2_SP3	C	O	C	3:2:	2:1:	3:3:2:	C-3:O-2:	C-2:H-1:	C[6]-3:N-3:C-2:	C(CC[6]N)(OH)	O(CC)(H)	C(C[6]C[6]2)(NC[6]N)(CO)	C(CC[6]N)(OH)	O(CC)(H)	C(C[6]C[6]2)(NC[6]N)(CO)	110.5080	0.000	1	110.5080	0.000	1	110.5080	0.000	1	110.5080	0.000	1	110.5080	0.000	1	110.5080	0.000	1
983	893	951	0:SP1_SP-NON_SP2	C	O	H	2:1:	3:2:	2:	O-2:H-1:	C[6a]-3:C-2:	C-2:	C(OC[6a])(H)	O(C[6a]C[6a]2)(CH)	H(CO)	C(OC[6a])(H)	O(C[6a]C[6a]2)(CH)	H(CO)	111.5210	0.000	1	111.5210	0.000	1	111.5210	0.000	1	111.5210	0.000	1	111.5210	0.000	1	111.5210	0.000	1
983	893	951	0:SP1_SP-NON_SP3	C	O	H	2:1:	2:1:	2:	O-2:H-1:	C-2:H-1:	C-2:	C(OH)(H)	O(CH)(H)	H(CO)	C(OH)(H)	O(CH)(H)	H(CO)	113.5425	15.144	2	113.5425	229.344	2	113.5425	229.344	2	113.5425	229.344	2	113.9133	77.916	4	113.9133	77.916	4
983	893	951	0:SP1_SP-NON_SP3	C	O	H	2:1:	2:2:	2:	O-2:H-1:	C-2:C-2:	C-2:	C(OC)(H)	O(CF)(CH)	H(CO)	C(OC)(H)	O(CF)(CH)	H(CO)	115.6720	0.000	1	115.6720	0.000	1	115.6720	0.000	1	115.6720	0.000	1	113.9133	77.916	4	113.9133	77.916	4
983	893	951	0:SP1_SP-NON_SP3	C	O	H	2:1:	4:2:	2:	O-2:H-1:	C[6]-4:C-2:	C-2:	C(OC[6])(H)	O(C[6]C[6]2C)(CH)	H(CO)	C(OC[6])(H)	O(C[6]C[6]2C)(CH)	H(CO)	112.8960	0.000	1	112.8960	0.000	1	112.8960	0.000	1	112.8960	0.000	1	113.9133	77.916	4	113.9133	77.916	4
983	893	956	0:SP1_SP2_SP3	C	O	N	3:2:	2:1:	4:4:2:	N-3:O-2:	C-2:H-1:	C-4:C-4:C-2:	C(NCC)(OH)	O(CN)(H)	N(CH3)2(CO)	C(NCC)(OH)	O(CN)(H)	N(CH3)2(CO)	121.6630	0.000	1	121.6630	0.000	1	121.6630	0.000	1	121.6630	0.000	1	121.6630	0.000	1	121.6630	0.000	1
983	893	983	0:SP1_SP1_SP2	C	O	C	2:2:	2:1:	2:1:	C-2:O-2:	C-2:O-1:	C-2:O-1:	C(CO)(OO)	O(CC)(O)	C(CO)(O)	C(CO)(OO)	O(CC)(O)	C(CO)(O)	114.7520	0.000	1	114.7520	0.000	1	114.7520	0.000	1	114.7520	0.000	1	108.5411	12.075	7	108.5411	12.075	7
983	893	983	0:SP1_SP1_SP2	C	O	C	2:2:	3:2:	2:2:	O-2:C-2:	C[6]-3:C-2:	C-2:O-2:	C(OC[6])(CO)	O(C[6]C[6]2)(CC)	C(CO)(OC)	C(OC[6])(CO)	O(C[6]C[6]2)(CC)	C(CO)(OC)	109.0840	2.477	3	109.0840	6.137	3	109.0840	6.137	3	108.3928	6.003	4	108.5411	12.075	7	108.5411	12.075	7
983	893	983	0:SP1_SP1_SP2	C	O	C	2:2:	3:2:	2:2:	O-2:C-2:	C[6a]-3:C-2:	C-2:O-2:	C(OC[6a])(CO)	O(C[6a]C[6a]N[6a])(CC)	C(CO)(OC)	C(OC[6a])(CO)	O(C[6a]C[6a]N[6a])(CC)	C(CO)(OC)	106.3190	0.000	1	106.3190	0.000	1	106.3190	0.000	1	108.3928	6.003	4	108.5411	12.075	7	108.5411	12.075	7
983	893	983	0:SP1_SP1_SP2	C	O	C	2:2:	3:2:	3:2:	C-2:O-2:	C[6]-3:C-2:	N[5]-3:C-2:	C(CN[5])(OC[6])	O(C[6]C[6]2)(CC)	C(N[5]C[5]2)(CO)	C(CN[5])(OC[6])	O(C[6]C[6]2)(CC)	C(N[5]C[5]2)(CO)	105.7325	0.018	2	105.7325	0.000	2	105.7325	0.000	2	105.7325	0.000	2	108.5411	12.075	7	108.5411	12.075	7
983	893	983	0:SP1_SP1_SP3	C	O	C	2:2:	2:2:	2:2:	C-2:O-2:	C-2:C-2:	C-2:O-2:	C(CO)(OC)	O(CC)2	C(CO)(OC)	C(CO)(OC)	O(CC)2	C(CO)(OC)	108.9615	1.628	19	108.9615	2.650	19	108.9615	2.650	19	109.2082	3.667	23	112.7893	185.488	26	112.7893	185.488	26
983	893	983	0:SP1_SP1_SP3	C	O	C	2:2:	2:2:	2:2:	C-2:O-2:	C-2:C-2:	O-2:C-2:	C(CO)(OC)	O(CC)2	C(OC[6])(CO)	C(CO)(OC)	O(CC)2	C(OC[6])(CO)	109.7403	3.272	3	109.7403	10.709	3	110.3798	8.775	4	109.2082	3.667	23	112.7893	185.488	26	112.7893	185.488	26
983	893	983	0:SP1_SP1_SP3	C	O	C	2:2:	2:2:	2:2:	C-2:O-2:	C-2:C-2:	O-2:C-2:	C(CO)(OC)	O(CC)2	C(OC[6a])(CO)	C(CO)(OC)	O(CC)2	C(OC[6a])(CO)	112.2980	0.000	1	112.2980	0.000	1	110.3798	8.775	4	109.2082	3.667	23	112.7893	185.488	26	112.7893	185.488	26
983	893	983	0:SP1_SP1_SP3	C	O	C	2:2:	4:2:	3:2:	C-2:O-2:	P-4:C-2:	S-3:C-2:	C(CS)(OP)	O(PMoFN)(CC)	C(SMoC)(CO)	C(CS)(OP)	O(PMoFN)(CC)	C(SMoC)(CO)	121.9905	0.879	2	121.9905	0.773	2	121.9905	0.773	2	121.9905	0.773	2	112.7893	185.488	26	112.7893	185.488	26
983	893	983	0:SP1_SP1_SP3	C	O	C	2:2:	4:2:	4:2:	C-2:O-2:	B-4:C-2:	P-4:C-2:	C(CP)(OB)	O(BC[6a]3)(CC)	C(PC[6]3)(CO)	C(CP)(OB)	O(BC[6a]3)(CC)	C(PC[6]3)(CO)	176.7540	0.000	1	176.7540	0.000	1	176.7540	0.000	1	176.7540	0.000	1	112.7893	185.488	26	112.7893	185.488	26
983	899	899	0:SP1_SP-NON_SP-NON	C	C	C	1:1:	2:	2:	C-1:C-1:	C-2:	C-2:	C(C)2	C(CC)	C(CC)	C(C)2	C(CC)	C(CC)	146.1394	35.607	5	146.1394	1267.853	5	146.1394	1267.853	5	146.1394	1267.853	5	146.1394	1267.853	5	146.1394	1267.853	5
983	899	901	0:SP1_SP-NON_SP1	C	C	N	1:1:	2:	2:	C-1:N-1:	C-2:	C-2:	C(C)(N)	C(CN)	N(CC)	C(C)(N)	C(CN)	N(CC)	174.0135	11.919	58	174.0135	142.066	58	174.0135	142.066	58	174.0135	142.066	58	174.0135	142.066	58	174.0135	142.066	58
983	899	902	0:SP1_SP-NON_SP2	C	C	C[3]	3:1:	2:	3:2:2:	C[3]-3:C-1:	C-2:	C[3]-3:C[3]-2:C-2:	C(C[3]C[3]2)(C)	C(CC[3])	C[3](C[3]C[3]C)(C[3]C[3])(CC)	C(C[3]C[3]2)(C)	C(CC[3])	C[3](C[3]C[3]C)(C[3]C[3])(CC)	121.4890	0.000	1	121.4890	0.000	1	121.4890	0.000	1	121.4890	0.000	1	121.4890	0.000	1	121.4890	0.000	1
983	899	930	0:SP1_SP-NON_SP2	C	C	C	3:1:	2:	3:2:1:	C-3:C-1:	C-2:	C-3:C-2:O-1:	C(CCO)(C)	C(CC)	C(CCO)(CC)(O)	C(CCO)(C)	C(CC)	C(CCO)(CC)(O)	94.2841	0.000	1	94.2841	0.000	1	94.2841	0.000	1	94.2841	0.000	1	103.2860	162.070	2	103.2860	162.070	2
983	899	930	0:SP1_SP-NON_SP2	C	C	C	3:1:	2:	3:3:2:	C-3:C-1:	C-2:	N[5]-3:C-3:C-2:	C(CN[5]C)(C)	C(CC)	C(N[5]C[5]2)(CNO)(CC)	C(CN[5]C)(C)	C(CC)	C(N[5]C[5]2)(CNO)(CC)	112.2880	0.000	1	112.2880	0.000	1	112.2880	0.000	1	112.2880	0.000	1	103.2860	162.070	2	103.2860	162.070	2
983	899	941	0:SP1_SP-NON_SP2	C	C	N	2:1:	2:	4:2:	N-2:C-1:	C-2:	C-4:C-2:	C(NC)(C)	C(CN)	N(CRuNS)(CC)	C(NC)(C)	C(CN)	N(CRuNS)(CC)	113.1350	0.000	1	113.1350	0.000	1	113.1350	0.000	1	113.1350	0.000	1	146.5670	2235.397	2	146.5670	2235.397	2
983	899	941	0:SP1_SP-NON_SP2	C	C	N	2:1:	2:	6:2:	N-2:C-1:	C-2:	Nb-6:C-2:	C(NNb)(C)	C(CN)	N(NbBr4O)(CC)	C(NNb)(C)	C(CN)	N(NbBr4O)(CC)	179.9990	0.000	1	179.9990	0.000	1	179.9990	0.000	1	179.9990	0.000	1	146.5670	2235.397	2	146.5670	2235.397	2
983	899	956	0:SP1_SP-NON_SP2	C	C	N	3:1:	2:	3:3:2:	N-3:C-1:	C-2:	C[6]-3:N-3:C-2:	C(NC[6]N)(C)	C(CN)	N(C[6]C[6]2)(NIrC)(CC)	C(NC[6]N)(C)	C(CN)	N(C[6]C[6]2)(NIrC)(CC)	108.4110	0.000	1	108.4110	0.000	1	108.4110	0.000	1	108.4110	0.000	1	108.4110	0.000	1	108.4110	0.000	1
983	899	983	0:SP1_SP-NON_SP1	C	C	C	2:1:	2:	2:1:	C-2:C-1:	C-2:	C-2:C-1:	C(CC)(C)	C(CC)	C(CC)(C)	C(CC)(C)	C(CC)	C(CC)(C)	111.7437	21.744	10	111.7437	472.806	10	111.7437	472.806	10	114.9323	736.952	12	114.8305	298.189	87	114.8305	298.189	87
983	899	983	0:SP1_SP-NON_SP1	C	C	C	2:1:	2:	2:1:	C-2:C-1:	C-2:	C-2:H-1:	C(CH)(C)	C(CC)	C(CC)(H)	C(CH)(C)	C(CC)	C(CC)(H)	171.1320	0.000	1	171.1320	0.000	1	171.1320	0.000	1	114.9323	736.952	12	114.8305	298.189	87	114.8305	298.189	87
983	899	983	0:SP1_SP-NON_SP1	C	C	C	2:1:	2:	2:1:	C-2:C-1:	C-2:	C-2:N-1:	C(CN)(C)	C(CC)	C(CC)(N)	C(CN)(C)	C(CC)	C(CC)(N)	90.6190	0.000	1	90.6190	0.000	1	90.6190	0.000	1	114.9323	736.952	12	114.8305	298.189	87	114.8305	298.189	87
983	899	983	0:SP1_SP-NON_SP1	C	C	C	2:1:	2:	2:2:	C-2:C-1:	C-2:	C-2:C-2:	C(CC)(C)	C(CC)	C(CC)(CN)	C(CC)(C)	C(CC)	C(CC)(CN)	111.8458	6.806	38	111.8458	46.324	38	114.7601	250.167	71	114.7601	250.167	71	114.8305	298.189	87	114.8305	298.189	87
983	899	983	0:SP1_SP-NON_SP1	C	C	C	2:1:	2:	2:2:	C-2:C-1:	C-2:	C-2:C-2:	C(CC)(C)	C(CC)	C(CC)(CO)	C(CC)(C)	C(CC)	C(CC)(CO)	107.7103	12.819	5	107.7103	164.317	5	114.7601	250.167	71	114.7601	250.167	71	114.8305	298.189	87	114.8305	298.189	87
983	899	983	0:SP1_SP-NON_SP1	C	C	C	2:1:	2:	2:2:	C-2:C-1:	C-2:	C-2:C-2:	C(CC)(C)	C(CC)	C(CC)(CP)	C(CC)(C)	C(CC)	C(CC)(CP)	111.5412	1.807	6	111.5412	3.264	6	114.7601	250.167	71	114.7601	250.167	71	114.8305	298.189	87	114.8305	298.189	87
983	899	983	0:SP1_SP-NON_SP1	C	C	C	2:1:	2:	2:2:	C-2:C-1:	C-2:	C-2:C-2:	C(CC)(C)	C(CC)	C(CC)(CW)	C(CC)(C)	C(CC)	C(CC)(CW)	178.9760	0.000	1	178.9760	0.000	1	114.7601	250.167	71	114.7601	250.167	71	114.8305	298.189	87	114.8305	298.189	87
983	899	983	0:SP1_SP-NON_SP1	C	C	C	2:1:	2:	2:2:	C-2:C-1:	C-2:	C-2:C-2:	C(CC)(C)	C(CC)	C(CC)2	C(CC)(C)	C(CC)	C(CC)2	121.3775	24.453	17	121.3775	597.942	17	114.7601	250.167	71	114.7601	250.167	71	114.8305	298.189	87	114.8305	298.189	87
983	899	983	0:SP1_SP-NON_SP1	C	C	C	2:1:	2:	2:2:	C-2:C-1:	C-2:	C-2:C-2:	C(CC)(C)	C(CC)	C(CN[6])(CC)	C(CC)(C)	C(CC)	C(CN[6])(CC)	114.8730	0.000	1	114.8730	0.000	1	114.7601	250.167	71	114.7601	250.167	71	114.8305	298.189	87	114.8305	298.189	87
983	899	983	0:SP1_SP-NON_SP1	C	C	C	2:1:	2:	2:2:	C-2:C-1:	C-2:	C-2:C-2:	C(CC)(C)	C(CC)	C(CSi)(CC)	C(CC)(C)	C(CC)	C(CSi)(CC)	111.4790	3.069	2	111.4790	9.418	2	114.7601	250.167	71	114.7601	250.167	71	114.8305	298.189	87	114.8305	298.189	87
983	899	983	0:SP1_SP-NON_SP1	C	C	C	2:1:	2:	2:2:	C-2:C-1:	C-2:	C-2:C-2:	C(CC)(C)	C(CC)	C(CSn)(CC)	C(CC)(C)	C(CC)	C(CSn)(CC)	109.8050	0.000	1	109.8050	0.000	1	114.7601	250.167	71	114.7601	250.167	71	114.8305	298.189	87	114.8305	298.189	87
983	899	983	0:SP1_SP-NON_SP1	C	C	C	2:1:	2:	3:2:	C-2:C-1:	C-2:	C[6a]-3:C-2:	C(CC[6a])(C)	C(CC)	C(C[6a]C[6a]N[6a])(CC)	C(CC[6a])(C)	C(CC)	C(C[6a]C[6a]N[6a])(CC)	118.7540	0.000	1	118.7540	0.000	1	118.7540	0.000	1	118.7540	0.000	1	114.8305	298.189	87	114.8305	298.189	87
983	899	983	0:SP1_SP-NON_SP1	C	C	C	2:1:	2:	4:2:	C-2:C-1:	C-2:	C-4:C-2:	C(CC)(C)	C(CC)	C(CCHH)(CC)	C(CC)(C)	C(CC)	C(CCHH)(CC)	117.3780	0.000	1	117.3780	0.000	1	114.7817	5.130	3	114.7817	5.130	3	114.8305	298.189	87	114.8305	298.189	87
983	899	983	0:SP1_SP-NON_SP1	C	C	C	2:1:	2:	4:2:	C-2:C-1:	C-2:	C-4:C-2:	C(CC)(C)	C(CC)	C(CH3)(CC)	C(CC)(C)	C(CC)	C(CH3)(CC)	113.2110	0.000	1	113.2110	0.000	1	114.7817	5.130	3	114.7817	5.130	3	114.8305	298.189	87	114.8305	298.189	87
983	899	983	0:SP1_SP-NON_SP1	C	C	C	2:1:	2:	4:2:	C-2:C-1:	C-2:	C-4:C-2:	C(CC)(C)	C(CC)	C(CHHN)(CC)	C(CC)(C)	C(CC)	C(CHHN)(CC)	113.7560	0.000	1	113.7560	0.000	1	114.7817	5.130	3	114.7817	5.130	3	114.8305	298.189	87	114.8305	298.189	87
983	901	901	0:SP1_SP1_SP1	C	N	N	1:1:	2:	2:	N-1:N-1:	C-2:	C-2:	C(N)2	N(CN)	N(CN)	C(N)2	N(CN)	N(CN)	164.3130	27.171	3	164.3130	738.246	3	164.3130	738.246	3	164.3130	738.246	3	164.3130	738.246	3	164.3130	738.246	3
983	901	902	0:SP1_SP1_SP2	C	N	C[3]	3:1:	2:	3:2:2:	C[3]-3:N-1:	C-2:	C[3]-3:C[3]-2:C-2:	C(C[3]C[3]2)(N)	N(CC[3])	C[3](C[3]C[3]C)(C[3]C[3])(CN)	C(C[3]C[3]2)(N)	N(CC[3])	C[3](C[3]C[3]C)(C[3]C[3])(CN)	109.2760	0.000	1	109.2760	0.000	1	109.2760	0.000	1	109.2760	0.000	1	144.1710	2435.322	2	144.1710	2435.322	2
983	901	902	0:SP1_SP1_SP2	C	N	C[3]	3:1:	2:	4:4:2:	C[3]-3:N-1:	C-2:	C[3]-4:C[3]-4:C-2:	C(C[3]C[3]2)(N)	N(CC[3])	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CN)	C(C[3]C[3]2)(N)	N(CC[3])	C[3](C[3]C[6a]C[3]H)(C[3]C[3]CH)(CN){2|C<3>}	179.0660	0.000	1	179.0660	0.000	1	179.0660	0.000	1	179.0660	0.000	1	144.1710	2435.322	2	144.1710	2435.322	2
983	901	909	0:SP1_SP1_SP2	C	N	S	2:1:	2:	2:2:	S-2:N-1:	C-2:	S-2:C-2:	C(SS)(N)	N(CS)	S(SC[6a])(CN)	C(SS)(N)	N(CS)	S(SC[6a])(CN)	178.2290	0.000	1	178.2290	0.000	1	178.2290	0.000	1	178.2290	0.000	1	176.8271	3.931	33	176.8271	3.931	33
983	901	909	0:SP1_SP1_SP2	C	N	S	2:1:	2:	3:2:	S-2:N-1:	C-2:	C-3:C-2:	C(SC)(N)	N(CS)	S(CCC)(CN)	C(SC)(N)	N(CS)	S(CCC)(CN)	176.5410	0.000	1	176.5410	0.000	1	175.8042	6.748	11	176.7833	3.993	32	176.8271	3.931	33	176.8271	3.931	33
983	901	909	0:SP1_SP1_SP2	C	N	S	2:1:	2:	3:2:	S-2:N-1:	C-2:	C-3:C-2:	C(SC)(N)	N(CS)	S(CCH)(CN)	C(SC)(N)	N(CS)	S(CCH)(CN)	172.7120	0.000	1	172.7120	0.000	1	175.8042	6.748	11	176.7833	3.993	32	176.8271	3.931	33	176.8271	3.931	33
983	901	909	0:SP1_SP1_SP2	C	N	S	2:1:	2:	3:2:	S-2:N-1:	C-2:	C-3:C-2:	C(SC)(N)	N(CS)	S(CCP)(CN)	C(SC)(N)	N(CS)	S(CCP)(CN)	179.0220	0.000	1	179.0220	0.000	1	175.8042	6.748	11	176.7833	3.993	32	176.8271	3.931	33	176.8271	3.931	33
983	901	909	0:SP1_SP1_SP2	C	N	S	2:1:	2:	3:2:	S-2:N-1:	C-2:	C-3:C-2:	C(SC)(N)	N(CS)	S(CC[5,6]H)(CN)	C(SC)(N)	N(CS)	S(CC[5,6]H)(CN)	175.4980	0.540	2	175.4980	0.292	2	175.8042	6.748	11	176.7833	3.993	32	176.8271	3.931	33	176.8271	3.931	33
983	901	909	0:SP1_SP1_SP2	C	N	S	2:1:	2:	3:2:	S-2:N-1:	C-2:	C-3:C-2:	C(SC)(N)	N(CS)	S(CC[5]C)(CN)	C(SC)(N)	N(CS)	S(CC[5]C)(CN)	177.5630	0.000	1	177.5630	0.000	1	175.8042	6.748	11	176.7833	3.993	32	176.8271	3.931	33	176.8271	3.931	33
983	901	909	0:SP1_SP1_SP2	C	N	S	2:1:	2:	3:2:	S-2:N-1:	C-2:	C-3:C-2:	C(SC)(N)	N(CS)	S(CC[6a]C)(CN)	C(SC)(N)	N(CS)	S(CC[6a]C)(CN)	174.9080	3.547	4	174.9080	12.583	4	175.8042	6.748	11	176.7833	3.993	32	176.8271	3.931	33	176.8271	3.931	33
983	901	909	0:SP1_SP1_SP2	C	N	S	2:1:	2:	3:2:	S-2:N-1:	C-2:	C-3:C-2:	C(SC)(N)	N(CS)	S(CFO)(CN)	C(SC)(N)	N(CS)	S(CFO)(CN)	177.3800	0.000	1	177.3800	0.000	1	175.8042	6.748	11	176.7833	3.993	32	176.8271	3.931	33	176.8271	3.931	33
983	901	909	0:SP1_SP1_SP2	C	N	S	2:1:	2:	3:2:	S-2:N-1:	C-2:	C[5a]-3:C-2:	C(SC[5a])(N)	N(CS)	S(C[5a]C[5a,6a]C[5a])(CN)	C(SC[5a])(N)	N(CS)	S(C[5a]C[5a,6a]C[5a])(CN)	175.4420	0.000	1	175.4420	0.000	1	177.7756	1.442	16	176.7833	3.993	32	176.8271	3.931	33	176.8271	3.931	33
983	901	909	0:SP1_SP1_SP2	C	N	S	2:1:	2:	3:2:	S-2:N-1:	C-2:	C[5a]-3:C-2:	C(SC[5a])(N)	N(CS)	S(C[5a]C[5a]2)(CN)	C(SC[5a])(N)	N(CS)	S(C[5a]C[5a]2)(CN)	177.2855	1.294	4	177.2855	1.674	4	177.7756	1.442	16	176.7833	3.993	32	176.8271	3.931	33	176.8271	3.931	33
983	901	909	0:SP1_SP1_SP2	C	N	S	2:1:	2:	3:2:	S-2:N-1:	C-2:	C[5a]-3:C-2:	C(SC[5a])(N)	N(CS)	S(C[5a]C[5a]N[5a])(CN)	C(SC[5a])(N)	N(CS)	S(C[5a]C[5a]N[5a])(CN)	177.1670	0.000	1	177.1670	0.000	1	177.7756	1.442	16	176.7833	3.993	32	176.8271	3.931	33	176.8271	3.931	33
983	901	909	0:SP1_SP1_SP2	C	N	S	2:1:	2:	3:2:	S-2:N-1:	C-2:	C[5a]-3:C-2:	C(SC[5a])(N)	N(CS)	S(C[5a]C[5a]O[5a])(CN)	C(SC[5a])(N)	N(CS)	S(C[5a]C[5a]O[5a])(CN)	177.4670	0.000	1	177.4670	0.000	1	177.7756	1.442	16	176.7833	3.993	32	176.8271	3.931	33	176.8271	3.931	33
983	901	909	0:SP1_SP1_SP2	C	N	S	2:1:	2:	3:2:	S-2:N-1:	C-2:	C[5a]-3:C-2:	C(SC[5a])(N)	N(CS)	S(C[5a]C[5a]S[5a])(CN)	C(SC[5a])(N)	N(CS)	S(C[5a]C[5a]S[5a])(CN)	177.3115	1.282	2	177.3115	1.643	2	177.7756	1.442	16	176.7833	3.993	32	176.8271	3.931	33	176.8271	3.931	33
983	901	909	0:SP1_SP1_SP2	C	N	S	2:1:	2:	3:2:	S-2:N-1:	C-2:	C[5a]-3:C-2:	C(SC[5a])(N)	N(CS)	S(C[5a]N[5a,5a]C[5a])(CN)	C(SC[5a])(N)	N(CS)	S(C[5a]N[5a,5a]C[5a])(CN)	178.5580	0.000	1	178.5580	0.000	1	177.7756	1.442	16	176.7833	3.993	32	176.8271	3.931	33	176.8271	3.931	33
983	901	909	0:SP1_SP1_SP2	C	N	S	2:1:	2:	3:2:	S-2:N-1:	C-2:	C[5a]-3:C-2:	C(SC[5a])(N)	N(CS)	S(C[5a]N[5a,6]C[5a])(CN)	C(SC[5a])(N)	N(CS)	S(C[5a]N[5a,6]C[5a])(CN)	179.0130	0.684	2	179.0130	0.469	2	177.7756	1.442	16	176.7833	3.993	32	176.8271	3.931	33	176.8271	3.931	33
983	901	909	0:SP1_SP1_SP2	C	N	S	2:1:	2:	3:2:	S-2:N-1:	C-2:	C[5a]-3:C-2:	C(SC[5a])(N)	N(CS)	S(C[5a]N[5a,6a]C[5a])(CN)	C(SC[5a])(N)	N(CS)	S(C[5a]N[5a,6a]C[5a])(CN)	178.4963	0.692	4	178.4963	0.479	4	177.7756	1.442	16	176.7833	3.993	32	176.8271	3.931	33	176.8271	3.931	33
983	901	909	0:SP1_SP1_SP2	C	N	S	2:1:	2:	3:2:	S-2:N-1:	C-2:	C[6a]-3:C-2:	C(SC[6a])(N)	N(CS)	S(C[6a]C[6a,6a]C[6a])(CN)	C(SC[6a])(N)	N(CS)	S(C[6a]C[6a,6a]C[6a])(CN)	176.1180	0.000	1	176.1180	0.000	1	175.7616	0.787	5	176.7833	3.993	32	176.8271	3.931	33	176.8271	3.931	33
983	901	909	0:SP1_SP1_SP2	C	N	S	2:1:	2:	3:2:	S-2:N-1:	C-2:	C[6a]-3:C-2:	C(SC[6a])(N)	N(CS)	S(C[6a]C[6a]2)(CN)	C(SC[6a])(N)	N(CS)	S(C[6a]C[6a]2)(CN)	175.6725	0.998	4	175.6725	0.997	4	175.7616	0.787	5	176.7833	3.993	32	176.8271	3.931	33	176.8271	3.931	33
983	901	909	0:SP1_SP1_SP3	C	N	S	2:1:	2:	3:2:	S-2:N-1:	C-2:	N-3:C-2:	C(SN)(N)	N(CS)	S(NSS)(CN)	C(SN)(N)	N(CS)	S(NSS)(CN)	178.7240	0.000	1	178.7240	0.000	1	178.7240	0.000	1	178.3110	0.341	2	177.3061	2.629	31	177.3061	2.629	31
983	901	909	0:SP1_SP1_SP3	C	N	S	2:1:	2:	3:2:	S-2:N-1:	C-2:	N[5]-3:C-2:	C(SN[5])(N)	N(CS)	S(N[5]C[5]2)(CN)	C(SN[5])(N)	N(CS)	S(N[5]C[5]2)(CN)	177.8980	0.000	1	177.8980	0.000	1	177.8980	0.000	1	178.3110	0.341	2	177.3061	2.629	31	177.3061	2.629	31
983	901	909	0:SP1_SP1_SP3	C	N	S	2:1:	2:	4:2:	S-2:N-1:	C-2:	C-4:C-2:	C(SC)(N)	N(CS)	S(CC3)(CN)	C(SC)(N)	N(CS)	S(CC3)(CN)	176.1760	0.000	1	176.1760	0.000	1	177.1588	2.980	25	177.2368	2.728	29	177.3061	2.629	31	177.3061	2.629	31
983	901	909	0:SP1_SP1_SP3	C	N	S	2:1:	2:	4:2:	S-2:N-1:	C-2:	C-4:C-2:	C(SC)(N)	N(CS)	S(CCCH)(CN)	C(SC)(N)	N(CS)	S(CCCH)(CN)	178.6530	0.000	1	178.6530	0.000	1	177.1588	2.980	25	177.2368	2.728	29	177.3061	2.629	31	177.3061	2.629	31
983	901	909	0:SP1_SP1_SP3	C	N	S	2:1:	2:	4:2:	S-2:N-1:	C-2:	C-4:C-2:	C(SC)(N)	N(CS)	S(CCHH)(CN)	C(SC)(N)	N(CS)	S(CCHH)(CN)	177.1872	1.950	13	177.1872	3.802	13	177.1588	2.980	25	177.2368	2.728	29	177.3061	2.629	31	177.3061	2.629	31
983	901	909	0:SP1_SP1_SP3	C	N	S	2:1:	2:	4:2:	S-2:N-1:	C-2:	C-4:C-2:	C(SC)(N)	N(CS)	S(CC[5a]HH)(CN)	C(SC)(N)	N(CS)	S(CC[5a]HH)(CN)	179.0140	0.000	1	179.0140	0.000	1	177.1588	2.980	25	177.2368	2.728	29	177.3061	2.629	31	177.3061	2.629	31
983	901	909	0:SP1_SP1_SP3	C	N	S	2:1:	2:	4:2:	S-2:N-1:	C-2:	C-4:C-2:	C(SC)(N)	N(CS)	S(CC[6]HH)(CN)	C(SC)(N)	N(CS)	S(CC[6]HH)(CN)	176.0242	1.054	4	176.0242	1.110	4	177.1588	2.980	25	177.2368	2.728	29	177.3061	2.629	31	177.3061	2.629	31
983	901	909	0:SP1_SP1_SP3	C	N	S	2:1:	2:	4:2:	S-2:N-1:	C-2:	C-4:C-2:	C(SC)(N)	N(CS)	S(CC[6a]CH)(CN)	C(SC)(N)	N(CS)	S(CC[6a]CH)(CN)	177.2337	2.170	3	177.2337	4.707	3	177.1588	2.980	25	177.2368	2.728	29	177.3061	2.629	31	177.3061	2.629	31
983	901	909	0:SP1_SP1_SP3	C	N	S	2:1:	2:	4:2:	S-2:N-1:	C-2:	C-4:C-2:	C(SC)(N)	N(CS)	S(CC[6a]HH)(CN)	C(SC)(N)	N(CS)	S(CC[6a]HH)(CN)	178.1480	0.000	1	178.1480	0.000	1	177.1588	2.980	25	177.2368	2.728	29	177.3061	2.629	31	177.3061	2.629	31
983	901	909	0:SP1_SP1_SP3	C	N	S	2:1:	2:	4:2:	S-2:N-1:	C-2:	C-4:C-2:	C(SC)(N)	N(CS)	S(CCl2F)(CN)	C(SC)(N)	N(CS)	S(CCl2F)(CN)	177.7490	0.000	1	177.7490	0.000	1	177.1588	2.980	25	177.2368	2.728	29	177.3061	2.629	31	177.3061	2.629	31
983	901	909	0:SP1_SP1_SP3	C	N	S	2:1:	2:	4:2:	S-2:N-1:	C-2:	C[5]-4:C-2:	C(SC[5])(N)	N(CS)	S(C[5]C[5]2Fe)(CN)	C(SC[5])(N)	N(CS)	S(C[5]C[5]2Fe)(CN)	178.3980	0.000	1	178.3980	0.000	1	177.3240	0.921	3	177.2368	2.728	29	177.3061	2.629	31	177.3061	2.629	31
983	901	909	0:SP1_SP1_SP3	C	N	S	2:1:	2:	4:2:	S-2:N-1:	C-2:	C[5]-4:C-2:	C(SC[5])(N)	N(CS)	S(C[5]C[5]2Ru)(CN)	C(SC[5])(N)	N(CS)	S(C[5]C[5]2Ru)(CN)	176.7870	0.334	2	176.7870	0.111	2	177.3240	0.921	3	177.2368	2.728	29	177.3061	2.629	31	177.3061	2.629	31
983	901	909	0:SP1_SP1_SP3	C	N	S	2:1:	2:	4:2:	S-2:N-1:	C-2:	C[6]-4:C-2:	C(SC[6])(N)	N(CS)	S(C[6]C[6]2H)(CN)	C(SC[6])(N)	N(CS)	S(C[6]C[6]2H)(CN)	178.9240	0.000	1	178.9240	0.000	1	178.9240	0.000	1	177.2368	2.728	29	177.3061	2.629	31	177.3061	2.629	31
983	901	921	0:SP1_SP1_SP3	C	N	Se	2:1:	2:	2:2:	Se-2:N-1:	C-2:	C-2:C-2:	C(SeC)(N)	N(CSe)	Se(CN)2	C(SeC)(N)	N(CSe)	Se(CN)2	178.6250	1.574	4	178.6250	2.476	4	178.6250	2.476	4	178.6250	2.476	4	176.9742	3.362	54	176.9742	3.362	54
983	901	921	0:SP1_SP1_SP3	C	N	Se	2:1:	2:	3:2:	Se-2:N-1:	C-2:	C[6a]-3:C-2:	C(SeC[6a])(N)	N(CSe)	Se(C[6a]C[6a]2)(CN)	C(SeC[6a])(N)	N(CSe)	Se(C[6a]C[6a]2)(CN)	177.6165	1.260	4	177.6165	1.587	4	177.6165	1.587	4	177.6165	1.587	4	176.9742	3.362	54	176.9742	3.362	54
983	901	921	0:SP1_SP1_SP3	C	N	Se	2:1:	2:	4:2:	Se-2:N-1:	C-2:	C-4:C-2:	C(SeC)(N)	N(CSe)	Se(CCHH)(CN)	C(SeC)(N)	N(CSe)	Se(CCHH)(CN)	176.4110	2.122	4	176.4110	4.504	4	176.7389	3.451	44	176.7748	3.369	46	176.9742	3.362	54	176.9742	3.362	54
983	901	921	0:SP1_SP1_SP3	C	N	Se	2:1:	2:	4:2:	Se-2:N-1:	C-2:	C-4:C-2:	C(SeC)(N)	N(CSe)	Se(CC[6a]CH)(CN)	C(SeC)(N)	N(CSe)	Se(CC[6a]CH)(CN)	177.2162	1.188	6	177.2162	1.412	6	176.7389	3.451	44	176.7748	3.369	46	176.9742	3.362	54	176.9742	3.362	54
983	901	921	0:SP1_SP1_SP3	C	N	Se	2:1:	2:	4:2:	Se-2:N-1:	C-2:	C-4:C-2:	C(SeC)(N)	N(CSe)	Se(CC[6a]HH)(CN)	C(SeC)(N)	N(CSe)	Se(CC[6a]HH)(CN)	176.6933	1.954	34	176.6933	3.817	34	176.7389	3.451	44	176.7748	3.369	46	176.9742	3.362	54	176.9742	3.362	54
983	901	921	0:SP1_SP1_SP3	C	N	Se	2:1:	2:	4:2:	Se-2:N-1:	C-2:	C[6]-4:C-2:	C(SeC[6])(N)	N(CSe)	Se(C[6]C[6]2C)(CN)	C(SeC[6])(N)	N(CSe)	Se(C[6]C[6]2C)(CN)	177.5635	1.389	2	177.5635	1.931	2	177.5635	1.931	2	176.7748	3.369	46	176.9742	3.362	54	176.9742	3.362	54
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	2:1:1:	C-3:N-1:	C-2:	C-2:C-1:H-1:	C(CCH)(N)	N(CC)	C(CN)(C)(H)	C(CCH)(N)	N(CC)	C(CN)(C)(H)	113.2320	0.000	1	113.2320	0.000	1	113.2320	0.000	1	173.8796	244.500	18	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	2:1:1:	C-3:N-1:	C-2:	C-2:H-1:H-1:	C(CHH)(N)	N(CC)	C(CN)(H)2	C(CHH)(N)	N(CC)	C(CN)(H)2	177.4471	4.047	17	177.4471	16.375	17	177.4471	16.375	17	173.8796	244.500	18	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	2:2:1:	C-3:N-1:	C-2:	C-2:C-2:C-1:	C(CCC)(N)	N(CC)	C(CC)(CN)(C)	C(CCC)(N)	N(CC)	C(CC)(CN)(C)	112.6830	0.000	1	112.6830	0.000	1	112.6830	0.000	1	161.3083	1051.506	4	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	2:2:1:	C-3:N-1:	C-2:	C-2:C-2:H-1:	C(CCH)(N)	N(CC)	C(CC)(CN)(H)	C(CCH)(N)	N(CC)	C(CC)(CN)(H)	178.5800	0.000	1	178.5800	0.000	1	177.5167	0.983	3	161.3083	1051.506	4	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	2:2:1:	C-3:N-1:	C-2:	C-2:C-2:H-1:	C(CCH)(N)	N(CC)	C(CH)(CN)(H)	C(CCH)(N)	N(CC)	C(CH)(CN)(H)	177.3520	0.000	1	177.3520	0.000	1	177.5167	0.983	3	161.3083	1051.506	4	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	2:2:1:	C-3:N-1:	C-2:	C-2:C-2:H-1:	C(CCH)(N)	N(CC)	C(CN)2(H)	C(CCH)(N)	N(CC)	C(CN)2(H)	176.6180	0.000	1	176.6180	0.000	1	177.5167	0.983	3	161.3083	1051.506	4	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	2:2:2:	C-3:N-1:	C-2:	C-2:C-2:C-2:	C(CCC)(N)	N(CC)	C(CN)3	C(CCC)(N)	N(CC)	C(CN)3	178.5892	1.108	120	178.5892	1.227	120	178.5567	1.294	122	178.4710	1.343	142	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	2:2:2:	C-3:N-1:	C-2:	C-2:C-2:C-2:	C(CCC)(N)	N(CC)	C(CRu)(CN)2	C(CCC)(N)	N(CC)	C(CRu)(CN)2	176.6060	1.656	2	176.6060	2.742	2	178.5567	1.294	122	178.4710	1.343	142	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	2:2:2:	C-3:N-1:	C-2:	C-2:C-2:N-2:	C(CCN)(N)	N(CC)	C(CN)2(NC)	C(CCN)(N)	N(CC)	C(CN)2(NC)	178.2745	0.775	6	178.2745	0.601	6	177.8520	1.165	16	178.4710	1.343	142	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	2:2:2:	C-3:N-1:	C-2:	C-2:C-2:N-2:	C(CCN)(N)	N(CC)	C(CN)2(NN)	C(CCN)(N)	N(CC)	C(CN)2(NN)	176.9135	2.232	2	176.9135	4.983	2	177.8520	1.165	16	178.4710	1.343	142	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	2:2:2:	C-3:N-1:	C-2:	C-2:C-2:N-2:	C(CCN)(N)	N(CC)	C(CN)2(NO)	C(CCN)(N)	N(CC)	C(CN)2(NO)	177.7698	0.971	8	177.7698	0.943	8	177.8520	1.165	16	178.4710	1.343	142	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	2:2:2:	C-3:N-1:	C-2:	C-2:N-2:N-2:	C(CNN)(N)	N(CC)	C(CN)(NN)2	C(CNN)(N)	N(CC)	C(CN)(NN)2	179.6475	0.009	2	179.6475	0.000	2	179.6475	0.000	2	178.4710	1.343	142	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	2:2:2:	C-3:N-1:	C-2:	N-2:C-2:S-2:	C(CNS)(N)	N(CC)	C(NC[5a])(CN)(SS)	C(CNS)(N)	N(CC)	C(NC[5a])(CN)(SS)	177.0240	1.199	2	177.0240	1.438	2	177.0240	1.438	2	178.4710	1.343	142	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	2:3:2:	C-3:N-1:	C-2:	N-2:C-3:C-2:	C(CCN)(N)	N(CC)	C(NC[5,6])(CCO)(CN)	C(CCN)(N)	N(CC)	C(NC[5,6])(CCO)(CN)	174.6290	0.000	1	174.6290	0.000	1	176.2405	5.194	2	176.2405	5.194	2	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	2:3:2:	C-3:N-1:	C-2:	N-2:C-3:C-2:	C(CCN)(N)	N(CC)	C(NC[6a])(CCO)(CN)	C(CCN)(N)	N(CC)	C(NC[6a])(CCO)(CN)	177.8520	0.000	1	177.8520	0.000	1	176.2405	5.194	2	176.2405	5.194	2	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:1:	C-3:N-1:	C-2:	C-3:C-2:Br-1:	C(CBrC)(N)	N(CC)	C(CN[5]H)(CN)(Br)	C(CBrC)(N)	N(CC)	C(CN[5]H)(CN)(Br)	175.7690	0.000	1	175.7690	0.000	1	175.7690	0.000	1	177.3823	2.535	69	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:1:	C-3:N-1:	C-2:	C-3:C-2:H-1:	C(CCH)(N)	N(CC)	C(CCC)(CN)(H)	C(CCH)(N)	N(CC)	C(CCC)(CN)(H)	178.7803	0.697	3	178.7803	0.486	3	177.5109	1.969	47	177.3823	2.535	69	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:1:	C-3:N-1:	C-2:	C-3:C-2:H-1:	C(CCH)(N)	N(CC)	C(CCH)(CN)(H)	C(CCH)(N)	N(CC)	C(CCH)(CN)(H)	177.3518	1.100	9	177.3518	1.209	9	177.5109	1.969	47	177.3823	2.535	69	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:1:	C-3:N-1:	C-2:	C-3:C-2:H-1:	C(CCH)(N)	N(CC)	C(CCN)(CN)(H)	C(CCH)(N)	N(CC)	C(CCN)(CN)(H)	178.1505	0.296	2	178.1505	0.088	2	177.5109	1.969	47	177.3823	2.535	69	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:1:	C-3:N-1:	C-2:	C-3:C-2:H-1:	C(CCH)(N)	N(CC)	C(CCS)(CN)(H)	C(CCH)(N)	N(CC)	C(CCS)(CN)(H)	178.9200	0.000	1	178.9200	0.000	1	177.5109	1.969	47	177.3823	2.535	69	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:1:	C-3:N-1:	C-2:	C-3:C-2:H-1:	C(CCH)(N)	N(CC)	C(CC[3]C)(CN)(H)	C(CCH)(N)	N(CC)	C(CC[3]C)(CN)(H)	173.6180	0.000	1	173.6180	0.000	1	177.5109	1.969	47	177.3823	2.535	69	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:1:	C-3:N-1:	C-2:	C-3:C-2:H-1:	C(CCH)(N)	N(CC)	C(CC[3]H)(CN)(H)	C(CCH)(N)	N(CC)	C(CC[3]H)(CN)(H)	177.8410	0.000	1	177.8410	0.000	1	177.5109	1.969	47	177.3823	2.535	69	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:1:	C-3:N-1:	C-2:	C-3:C-2:H-1:	C(CCH)(N)	N(CC)	C(CC[5]C)(CN)(H)	C(CCH)(N)	N(CC)	C(CC[5]C)(CN)(H)	179.4590	0.000	1	179.4590	0.000	1	177.5109	1.969	47	177.3823	2.535	69	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:1:	C-3:N-1:	C-2:	C-3:C-2:H-1:	C(CCH)(N)	N(CC)	C(CC[5]H)(CN)(H)	C(CCH)(N)	N(CC)	C(CC[5]H)(CN)(H)	178.5510	0.000	1	178.5510	0.000	1	177.5109	1.969	47	177.3823	2.535	69	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:1:	C-3:N-1:	C-2:	C-3:C-2:H-1:	C(CCH)(N)	N(CC)	C(CC[5]I)(CN)(H)	C(CCH)(N)	N(CC)	C(CC[5]I)(CN)(H)	176.4025	0.896	2	176.4025	0.803	2	177.5109	1.969	47	177.3823	2.535	69	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:1:	C-3:N-1:	C-2:	C-3:C-2:H-1:	C(CCH)(N)	N(CC)	C(CC[5a]H)(CN)(H)	C(CCH)(N)	N(CC)	C(CC[5a]H)(CN)(H)	177.5263	1.568	7	177.5263	2.459	7	177.5109	1.969	47	177.3823	2.535	69	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:1:	C-3:N-1:	C-2:	C-3:C-2:H-1:	C(CCH)(N)	N(CC)	C(CC[6]N[6])(CN)(H)	C(CCH)(N)	N(CC)	C(CC[6]N[6])(CN)(H)	178.1630	0.177	2	178.1630	0.031	2	177.5109	1.969	47	177.3823	2.535	69	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:1:	C-3:N-1:	C-2:	C-3:C-2:H-1:	C(CCH)(N)	N(CC)	C(CC[6a]2)(CN)(H)	C(CCH)(N)	N(CC)	C(CC[6a]2)(CN)(H)	174.5880	0.000	1	174.5880	0.000	1	177.5109	1.969	47	177.3823	2.535	69	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:1:	C-3:N-1:	C-2:	C-3:C-2:H-1:	C(CCH)(N)	N(CC)	C(CC[6a]C)(CN)(H)	C(CCH)(N)	N(CC)	C(CC[6a]C)(CN)(H)	177.5740	1.289	3	177.5740	1.662	3	177.5109	1.969	47	177.3823	2.535	69	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:1:	C-3:N-1:	C-2:	C-3:C-2:H-1:	C(CCH)(N)	N(CC)	C(CC[6a]Cl)(CN)(H)	C(CCH)(N)	N(CC)	C(CC[6a]Cl)(CN)(H)	179.4150	0.000	1	179.4150	0.000	1	177.5109	1.969	47	177.3823	2.535	69	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:1:	C-3:N-1:	C-2:	C-3:C-2:H-1:	C(CCH)(N)	N(CC)	C(CC[6a]H)(CN)(H)	C(CCH)(N)	N(CC)	C(CC[6a]H)(CN)(H)	177.7450	1.788	4	177.7450	3.197	4	177.5109	1.969	47	177.3823	2.535	69	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:1:	C-3:N-1:	C-2:	C-3:C-2:H-1:	C(CCH)(N)	N(CC)	C(CC[6a]O)(CN)(H)	C(CCH)(N)	N(CC)	C(CC[6a]O)(CN)(H)	177.2338	1.083	5	177.2338	1.173	5	177.5109	1.969	47	177.3823	2.535	69	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:1:	C-3:N-1:	C-2:	C-3:C-2:H-1:	C(CCH)(N)	N(CC)	C(CHH)(CN)(H)	C(CCH)(N)	N(CC)	C(CHH)(CN)(H)	177.0060	0.252	2	177.0060	0.063	2	177.5109	1.969	47	177.3823	2.535	69	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:1:	C-3:N-1:	C-2:	C-3:C-2:H-1:	C(CCH)(N)	N(CC)	C(CN[6]C)(CN)(H)	C(CCH)(N)	N(CC)	C(CN[6]C)(CN)(H)	176.1140	0.000	1	176.1140	0.000	1	177.5109	1.969	47	177.3823	2.535	69	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:1:	C-3:N-1:	C-2:	C-3:C-2:S-1:	C(CCS)(N)	N(CC)	C(CCS)(CN)(S)	C(CCS)(N)	N(CC)	C(CCS)(CN)(S)	178.1925	0.078	2	178.1925	0.006	2	178.1925	0.006	2	177.3823	2.535	69	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:1:	C-3:N-1:	C-2:	C[5]-3:C-2:Br-1:	C(CC[5]Br)(N)	N(CC)	C(C[5]C[5]S[5])(CN)(Br)	C(CC[5]Br)(N)	N(CC)	C(C[5]C[5]S[5])(CN)(Br)	174.4300	0.000	1	174.4300	0.000	1	174.4300	0.000	1	177.3823	2.535	69	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:1:	C-3:N-1:	C-2:	C[5]-3:C-2:H-1:	C(CC[5]H)(N)	N(CC)	C(C[5]C[5,6]C[5])(CN)(H)	C(CC[5]H)(N)	N(CC)	C(C[5]C[5,6]C[5])(CN)(H)	175.8350	0.000	1	175.8350	0.000	1	176.1230	0.166	2	177.3823	2.535	69	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:1:	C-3:N-1:	C-2:	C[5]-3:C-2:H-1:	C(CC[5]H)(N)	N(CC)	C(C[5]C[5]S[5])(CN)(H)	C(CC[5]H)(N)	N(CC)	C(C[5]C[5]S[5])(CN)(H)	176.4110	0.000	1	176.4110	0.000	1	176.1230	0.166	2	177.3823	2.535	69	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:1:	C-3:N-1:	C-2:	C[6,6]-3:C-2:H-1:	C(CC[6,6]H)(N)	N(CC)	C(C[6,6]C[6,6]2)(CN)(H)	C(CC[6,6]H)(N)	N(CC)	C(C[6,6]C[6,6]2)(CN)(H)	179.1730	0.000	1	179.1730	0.000	1	179.1730	0.000	1	177.3823	2.535	69	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:1:	C-3:N-1:	C-2:	C[6]-3:C-2:H-1:	C(CC[6]H)(N)	N(CC)	C(C[6]C[6,6]O[6])(CN)(H)	C(CC[6]H)(N)	N(CC)	C(C[6]C[6,6]O[6])(CN)(H)	178.6414	0.726	5	178.6414	0.527	5	177.6508	3.514	13	177.3823	2.535	69	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:1:	C-3:N-1:	C-2:	C[6]-3:C-2:H-1:	C(CC[6]H)(N)	N(CC)	C(C[6]C[6]2)(CN)(H)	C(CC[6]H)(N)	N(CC)	C(C[6]C[6]2)(CN)(H)	178.7267	0.974	4	178.7267	0.948	4	177.6508	3.514	13	177.3823	2.535	69	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:1:	C-3:N-1:	C-2:	C[6]-3:C-2:H-1:	C(CC[6]H)(N)	N(CC)	C(C[6]C[6]O[6])(CN)(H)	C(CC[6]H)(N)	N(CC)	C(C[6]C[6]O[6])(CN)(H)	177.4030	0.000	1	177.4030	0.000	1	177.6508	3.514	13	177.3823	2.535	69	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:1:	C-3:N-1:	C-2:	C[6]-3:C-2:H-1:	C(CC[6]H)(N)	N(CC)	C(C[6]N[5,6]C[6])(CN)(H)	C(CC[6]H)(N)	N(CC)	C(C[6]N[5,6]C[6])(CN)(H)	174.6477	0.528	3	174.6477	0.279	3	177.6508	3.514	13	177.3823	2.535	69	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:1:	C-3:N-1:	C-2:	C[6a]-3:C-2:C-1:	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CN)(C)	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CN)(C)	175.3520	0.000	1	175.3520	0.000	1	175.3520	0.000	1	177.3823	2.535	69	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:1:	C-3:N-1:	C-2:	N-3:C-2:O-1:	C(CNO)(N)	N(CC)	C(NC[6a]C)(CN)(O)	C(CNO)(N)	N(CC)	C(NC[6a]C)(CN)(O)	173.5540	0.000	1	173.5540	0.000	1	173.5540	0.000	1	177.3823	2.535	69	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:C-2:	C(CCC)(N)	N(CC)	C(CB[3x6]C)(CN)2	C(CCC)(N)	N(CC)	C(CB[3x6]C)(CN)2	175.9990	2.131	2	175.9990	4.542	2	177.8061	1.845	863	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:C-2:	C(CCC)(N)	N(CC)	C(CCC)(CC)(CN)	C(CCC)(N)	N(CC)	C(CCC)(CC)(CN)	177.6470	0.898	7	177.6470	0.806	7	177.8061	1.845	863	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:C-2:	C(CCC)(N)	N(CC)	C(CCC)(CN)2	C(CCC)(N)	N(CC)	C(CCC)(CN)2	178.0293	1.051	141	178.0293	1.105	141	177.8061	1.845	863	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:C-2:	C(CCC)(N)	N(CC)	C(CCH)(CN)2	C(CCC)(N)	N(CC)	C(CCH)(CN)2	178.4167	0.937	42	178.4167	0.879	42	177.8061	1.845	863	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:C-2:	C(CCC)(N)	N(CC)	C(CCN)(CN)2	C(CCC)(N)	N(CC)	C(CCN)(CN)2	177.3951	1.029	10	177.3951	1.059	10	177.8061	1.845	863	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:C-2:	C(CCC)(N)	N(CC)	C(CCO)(CN)2	C(CCC)(N)	N(CC)	C(CCO)(CN)2	177.5201	1.079	61	177.5201	1.165	61	177.8061	1.845	863	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:C-2:	C(CCC)(N)	N(CC)	C(CCS)(CN)2	C(CCC)(N)	N(CC)	C(CCS)(CN)2	176.9277	1.811	24	176.9277	3.278	24	177.8061	1.845	863	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:C-2:	C(CCC)(N)	N(CC)	C(CC[5]2)(CN)2	C(CCC)(N)	N(CC)	C(CC[5]2)(CN)2	174.7638	0.458	4	174.7638	0.210	4	177.8061	1.845	863	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:C-2:	C(CCC)(N)	N(CC)	C(CC[5]C)(CN)2	C(CCC)(N)	N(CC)	C(CC[5]C)(CN)2	177.4738	1.302	24	177.4738	1.696	24	177.8061	1.845	863	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:C-2:	C(CCC)(N)	N(CC)	C(CC[5]H)(CN)2	C(CCC)(N)	N(CC)	C(CC[5]H)(CN)2	178.2069	0.413	8	178.2069	0.171	8	177.8061	1.845	863	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:C-2:	C(CCC)(N)	N(CC)	C(CC[5a]2)(CN)2	C(CCC)(N)	N(CC)	C(CC[5a]2)(CN)2	176.5760	0.836	2	176.5760	0.699	2	177.8061	1.845	863	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:C-2:	C(CCC)(N)	N(CC)	C(CC[5a]C)(CN)2	C(CCC)(N)	N(CC)	C(CC[5a]C)(CN)2	177.0119	1.584	50	177.0119	2.507	50	177.8061	1.845	863	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:C-2:	C(CCC)(N)	N(CC)	C(CC[5a]H)(CN)2	C(CCC)(N)	N(CC)	C(CC[5a]H)(CN)2	178.5448	0.834	48	178.5448	0.695	48	177.8061	1.845	863	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:C-2:	C(CCC)(N)	N(CC)	C(CC[6]C)(CN)2	C(CCC)(N)	N(CC)	C(CC[6]C)(CN)2	176.0483	1.836	10	176.0483	3.372	10	177.8061	1.845	863	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]2)(CN)2	C(CCC)(N)	N(CC)	C(CC[6a]2)(CN)2	175.7787	1.099	15	175.7787	1.209	15	177.8061	1.845	863	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]C)(CN)2	C(CCC)(N)	N(CC)	C(CC[6a]C)(CN)2	177.3026	1.597	122	177.3026	2.550	122	177.8061	1.845	863	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]C[3])(CN)2	C(CCC)(N)	N(CC)	C(CC[6a]C[3])(CN)2	177.4475	1.050	6	177.4475	1.103	6	177.8061	1.845	863	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]C[5])(CN)2	C(CCC)(N)	N(CC)	C(CC[6a]C[5])(CN)2	177.1455	0.250	2	177.1455	0.062	2	177.8061	1.845	863	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]H)(CN)2	C(CCC)(N)	N(CC)	C(CC[6a]H)(CN)2	178.3256	0.939	154	178.3256	0.883	154	177.8061	1.845	863	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]N)(CN)2	C(CCC)(N)	N(CC)	C(CC[6a]N)(CN)2	176.4393	0.623	4	176.4393	0.388	4	177.8061	1.845	863	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]N[5a])(CN)2	C(CCC)(N)	N(CC)	C(CC[6a]N[5a])(CN)2	175.6623	1.015	4	175.6623	1.030	4	177.8061	1.845	863	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]O)(CN)2	C(CCC)(N)	N(CC)	C(CC[6a]O)(CN)2	178.0325	1.365	2	178.0325	1.864	2	177.8061	1.845	863	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:C-2:	C(CCC)(N)	N(CC)	C(CHN)(CN)2	C(CCC)(N)	N(CC)	C(CHN)(CN)2	177.8753	1.174	6	177.8753	1.379	6	177.8061	1.845	863	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:C-2:	C(CCC)(N)	N(CC)	C(CNN)(CN)2	C(CCC)(N)	N(CC)	C(CNN)(CN)2	179.2470	0.488	2	179.2470	0.238	2	177.8061	1.845	863	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:C-2:	C(CCC)(N)	N(CC)	C(CNO)(CN)2	C(CCC)(N)	N(CC)	C(CNO)(CN)2	178.6418	0.807	52	178.6418	0.651	52	177.8061	1.845	863	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:C-2:	C(CCC)(N)	N(CC)	C(CN[6]C)(CN)2	C(CCC)(N)	N(CC)	C(CN[6]C)(CN)2	176.0230	2.837	2	176.0230	8.048	2	177.8061	1.845	863	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:C-2:	C(CCC)(N)	N(CC)	C(COO)(CN)2	C(CCC)(N)	N(CC)	C(COO)(CN)2	178.4895	0.356	2	178.4895	0.127	2	177.8061	1.845	863	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:C-2:	C(CCC)(N)	N(CC)	C(COsC)(CN)2	C(CCC)(N)	N(CC)	C(COsC)(CN)2	176.2652	1.935	4	176.2652	3.744	4	177.8061	1.845	863	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:C-2:	C(CCC)(N)	N(CC)	C(CRuC)(CN)2	C(CCC)(N)	N(CC)	C(CRuC)(CN)2	177.6243	1.009	19	177.6243	1.019	19	177.8061	1.845	863	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:C-2:	C(CCC)(N)	N(CC)	C(CSS)(CN)2	C(CCC)(N)	N(CC)	C(CSS)(CN)2	178.5544	0.979	34	178.5544	0.958	34	177.8061	1.845	863	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:N-2:	C(CCN)(N)	N(CC)	C(CCN)(CN)(NC)	C(CCN)(N)	N(CC)	C(CCN)(CN)(NC)	175.8970	1.502	42	175.8970	2.255	42	176.6850	2.962	72	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:N-2:	C(CCN)(N)	N(CC)	C(CCO)(CN)(NN)	C(CCN)(N)	N(CC)	C(CCO)(CN)(NN)	177.5792	1.240	6	177.5792	1.537	6	176.6850	2.962	72	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:N-2:	C(CCN)(N)	N(CC)	C(CC[6a]H)(CN)(NC)	C(CCN)(N)	N(CC)	C(CC[6a]H)(CN)(NC)	177.2497	0.850	3	177.2497	0.723	3	176.6850	2.962	72	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:N-2:	C(CCN)(N)	N(CC)	C(CC[6a]O)(CN)(NN)	C(CCN)(N)	N(CC)	C(CC[6a]O)(CN)(NN)	175.3995	0.241	2	175.3995	0.058	2	176.6850	2.962	72	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:N-2:	C(CCN)(N)	N(CC)	C(CC[6a]O)(CN)(NO)	C(CCN)(N)	N(CC)	C(CC[6a]O)(CN)(NO)	179.3550	0.000	1	179.3550	0.000	1	176.6850	2.962	72	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:N-2:	C(CCN)(N)	N(CC)	C(CNN)(CN)(NN)	C(CCN)(N)	N(CC)	C(CNN)(CN)(NN)	178.6120	0.000	2	178.6120	0.000	2	176.6850	2.962	72	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:N-2:	C(CCN)(N)	N(CC)	C(CNO)(CN)(NN)	C(CCN)(N)	N(CC)	C(CNO)(CN)(NN)	177.2060	2.161	3	177.2060	4.671	3	176.6850	2.962	72	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:N-2:	C(CCN)(N)	N(CC)	C(CNO)(CN)(NO)	C(CCN)(N)	N(CC)	C(CNO)(CN)(NO)	178.5256	1.385	7	178.5256	1.918	7	176.6850	2.962	72	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:N-2:	C(CCN)(N)	N(CC)	C(CN[6]O)(CN)(NO)	C(CCN)(N)	N(CC)	C(CN[6]O)(CN)(NO)	177.0360	0.000	1	177.0360	0.000	1	176.6850	2.962	72	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:N-2:	C(CCN)(N)	N(CC)	C(COO)(CN)(NN)	C(CCN)(N)	N(CC)	C(COO)(CN)(NN)	179.0190	0.000	1	179.0190	0.000	1	176.6850	2.962	72	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:N-2:	C(CCN)(N)	N(CC)	C(COO)(CN)(NO)	C(CCN)(N)	N(CC)	C(COO)(CN)(NO)	177.9232	0.800	4	177.9232	0.639	4	176.6850	2.962	72	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:S-2:	C(CCS)(N)	N(CC)	C(CCS)(CN)(SC)	C(CCS)(N)	N(CC)	C(CCS)(CN)(SC)	178.1678	0.661	10	178.1678	0.437	10	177.8715	1.950	44	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:S-2:	C(CCS)(N)	N(CC)	C(CCS)(CN)(SV)	C(CCS)(N)	N(CC)	C(CCS)(CN)(SV)	179.1070	0.406	3	179.1070	0.165	3	177.8715	1.950	44	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:C-2:S-2:	C(CCS)(N)	N(CC)	C(CCS)(CN)(SW)	C(CCS)(N)	N(CC)	C(CCS)(CN)(SW)	177.6563	1.557	31	177.6563	2.423	31	177.8715	1.950	44	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:N-2:C-2:	C(CCN)(N)	N(CC)	C(CCN)(NNi)(CN)	C(CCN)(N)	N(CC)	C(CCN)(NNi)(CN)	176.7095	1.787	2	176.7095	3.193	2	176.6905	1.262	4	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:N-2:C-2:	C(CCN)(N)	N(CC)	C(CCN)(NZn)(CN)	C(CCN)(N)	N(CC)	C(CCN)(NZn)(CN)	176.6715	0.770	2	176.6715	0.593	2	176.6905	1.262	4	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:O-2:C-2:	C(CCO)(N)	N(CC)	C(CC[6a]C)(OC[6a])(CN)	C(CCO)(N)	N(CC)	C(CC[6a]C)(OC[6a])(CN)	178.0780	0.000	1	178.0780	0.000	1	178.0780	0.000	1	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:S-2:C-2:	C(CCS)(N)	N(CC)	C(CCH)(SNi)(CN)	C(CCS)(N)	N(CC)	C(CCH)(SNi)(CN)	177.9995	1.235	2	177.9995	1.526	2	177.8685	1.559	960	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:S-2:C-2:	C(CCS)(N)	N(CC)	C(CCH)(SPt)(CN)	C(CCS)(N)	N(CC)	C(CCH)(SPt)(CN)	178.3240	0.359	2	178.3240	0.129	2	177.8685	1.559	960	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:S-2:C-2:	C(CCS)(N)	N(CC)	C(CCS)(SAs)(CN)	C(CCS)(N)	N(CC)	C(CCS)(SAs)(CN)	178.5245	0.023	2	178.5245	0.001	2	177.8685	1.559	960	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:S-2:C-2:	C(CCS)(N)	N(CC)	C(CCS)(SAu)(CN)	C(CCS)(N)	N(CC)	C(CCS)(SAu)(CN)	178.5720	0.791	2	178.5720	0.625	2	177.8685	1.559	960	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:S-2:C-2:	C(CCS)(N)	N(CC)	C(CCS)(SCo)(CN)	C(CCS)(N)	N(CC)	C(CCS)(SCo)(CN)	178.3662	0.750	29	178.3662	0.562	29	177.8685	1.559	960	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:S-2:C-2:	C(CCS)(N)	N(CC)	C(CCS)(SCu)(CN)	C(CCS)(N)	N(CC)	C(CCS)(SCu)(CN)	178.0164	0.989	78	178.0164	0.977	78	177.8685	1.559	960	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:S-2:C-2:	C(CCS)(N)	N(CC)	C(CCS)(SFe)(CN)	C(CCS)(N)	N(CC)	C(CCS)(SFe)(CN)	178.8660	0.357	5	178.8660	0.127	5	177.8685	1.559	960	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:S-2:C-2:	C(CCS)(N)	N(CC)	C(CCS)(SIr)(CN)	C(CCS)(N)	N(CC)	C(CCS)(SIr)(CN)	177.5258	0.635	4	177.5258	0.404	4	177.8685	1.559	960	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:S-2:C-2:	C(CCS)(N)	N(CC)	C(CCS)(SMn)(CN)	C(CCS)(N)	N(CC)	C(CCS)(SMn)(CN)	178.2873	0.497	3	178.2873	0.247	3	177.8685	1.559	960	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:S-2:C-2:	C(CCS)(N)	N(CC)	C(CCS)(SMo)(CN)	C(CCS)(N)	N(CC)	C(CCS)(SMo)(CN)	177.7877	1.095	100	177.7877	1.200	100	177.8685	1.559	960	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:S-2:C-2:	C(CCS)(N)	N(CC)	C(CCS)(SNi)(CN)	C(CCS)(N)	N(CC)	C(CCS)(SNi)(CN)	177.9671	1.231	495	177.9671	1.516	495	177.8685	1.559	960	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:S-2:C-2:	C(CCS)(N)	N(CC)	C(CCS)(SPd)(CN)	C(CCS)(N)	N(CC)	C(CCS)(SPd)(CN)	178.0281	0.875	18	178.0281	0.765	18	177.8685	1.559	960	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:S-2:C-2:	C(CCS)(N)	N(CC)	C(CCS)(SPt)(CN)	C(CCS)(N)	N(CC)	C(CCS)(SPt)(CN)	177.3916	1.511	187	177.3916	2.282	187	177.8685	1.559	960	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:S-2:C-2:	C(CCS)(N)	N(CC)	C(CCS)(SRe)(CN)	C(CCS)(N)	N(CC)	C(CCS)(SRe)(CN)	178.6424	0.511	7	178.6424	0.262	7	177.8685	1.559	960	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:S-2:C-2:	C(CCS)(N)	N(CC)	C(CCS)(SRu)(CN)	C(CCS)(N)	N(CC)	C(CCS)(SRu)(CN)	178.6912	0.380	6	178.6912	0.144	6	177.8685	1.559	960	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:S-2:C-2:	C(CCS)(N)	N(CC)	C(CCS)(SSb)(CN)	C(CCS)(N)	N(CC)	C(CCS)(SSb)(CN)	178.2165	0.787	2	178.2165	0.619	2	177.8685	1.559	960	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:S-2:C-2:	C(CCS)(N)	N(CC)	C(CCS)(SZn)(CN)	C(CCS)(N)	N(CC)	C(CCS)(SZn)(CN)	177.1428	0.588	9	177.1428	0.346	9	177.8685	1.559	960	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:S-2:C-2:	C(CCS)(N)	N(CC)	C(CC[6a]C[3])(SC[6a])(CN)	C(CCS)(N)	N(CC)	C(CC[6a]C[3])(SC[6a])(CN)	179.1130	0.000	1	179.1130	0.000	1	177.8685	1.559	960	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:S-2:C-2:	C(CCS)(N)	N(CC)	C(CHS)(SNi)(CN)	C(CCS)(N)	N(CC)	C(CHS)(SNi)(CN)	178.5087	0.854	8	178.5087	0.729	8	177.8685	1.559	960	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:Se-2:C-2:	C(CSeC)(N)	N(CC)	C(CSeC)(SeAg)(CN)	C(CSeC)(N)	N(CC)	C(CSeC)(SeAg)(CN)	178.3972	1.005	4	178.3972	1.010	4	178.4823	1.187	13	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:Se-2:C-2:	C(CSeC)(N)	N(CC)	C(CSeC)(SeCu)(CN)	C(CSeC)(N)	N(CC)	C(CSeC)(SeCu)(CN)	179.0995	0.343	2	179.0995	0.118	2	178.4823	1.187	13	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:Se-2:C-2:	C(CSeC)(N)	N(CC)	C(CSeC)(SeNi)(CN)	C(CSeC)(N)	N(CC)	C(CSeC)(SeNi)(CN)	179.0108	0.588	5	179.0108	0.345	5	178.4823	1.187	13	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C-3:Se-2:C-2:	C(CSeC)(N)	N(CC)	C(CSeC)(SePt)(CN)	C(CSeC)(N)	N(CC)	C(CSeC)(SePt)(CN)	176.7140	1.127	2	176.7140	1.270	2	178.4823	1.187	13	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[3]-3:C-2:C-2:	C(CC[3]C)(N)	N(CC)	C(C[3]C[3]2)(CN)2	C(CC[3]C)(N)	N(CC)	C(C[3]C[3]2)(CN)2	178.4358	1.011	14	178.4358	1.021	14	178.4358	1.021	14	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[4]-3:C-2:C-2:	C(CC[4]C)(N)	N(CC)	C(C[4]C[4]2)(CN)2	C(CC[4]C)(N)	N(CC)	C(C[4]C[4]2)(CN)2	177.8720	1.446	12	177.8720	2.091	12	178.0381	1.955	14	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[4]-3:C-2:C-2:	C(CC[4]C)(N)	N(CC)	C(C[4]S[4]2)(CN)2	C(CC[4]C)(N)	N(CC)	C(C[4]S[4]2)(CN)2	179.0350	0.320	2	179.0350	0.102	2	178.0381	1.955	14	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[4a]-3:C-2:C-2:	C(CC[4a]C)(N)	N(CC)	C(C[4a]C[4a]2)(CN)2	C(CC[4a]C)(N)	N(CC)	C(C[4a]C[4a]2)(CN)2	178.9645	0.740	2	178.9645	0.548	2	178.9645	0.548	2	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[5,5]-3:C-2:C-2:	C(CC[5,5]C)(N)	N(CC)	C(C[5,5]C[5,5,6]2)(CN)2	C(CC[5,5]C)(N)	N(CC)	C(C[5,5]C[5,5,6]2)(CN)2	178.2230	0.397	2	178.2230	0.158	2	178.2230	0.158	2	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[5]-3:C-2:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]C[5,5,6]C[5])(CN)2	C(CC[5]C)(N)	N(CC)	C(C[5]C[5,5,6]C[5])(CN)2	176.3945	1.839	2	176.3945	3.383	2	177.0301	4.579	263	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[5]-3:C-2:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]C[5,5]C[5])(CN)2	C(CC[5]C)(N)	N(CC)	C(C[5]C[5,5]C[5])(CN)2	175.8458	1.407	4	175.8458	1.980	4	177.0301	4.579	263	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[5]-3:C-2:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]C[5,5a]2)(CN)2	C(CC[5]C)(N)	N(CC)	C(C[5]C[5,5a]2)(CN)2	177.6747	1.594	18	177.6747	2.540	18	177.0301	4.579	263	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[5]-3:C-2:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]C[5,5a]C[5,6a])(CN)2	C(CC[5]C)(N)	N(CC)	C(C[5]C[5,5a]C[5,6a])(CN)2	178.2945	1.504	2	178.2945	2.262	2	177.0301	4.579	263	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[5]-3:C-2:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]C[5,5a]C[5])(CN)2	C(CC[5]C)(N)	N(CC)	C(C[5]C[5,5a]C[5])(CN)2	177.3475	1.811	2	177.3475	3.279	2	177.0301	4.579	263	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[5]-3:C-2:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]C[5,6a]2)(CN)2	C(CC[5]C)(N)	N(CC)	C(C[5]C[5,6a]2)(CN)2	175.8014	3.354	40	175.8014	11.247	40	177.0301	4.579	263	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[5]-3:C-2:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]C[5,6a]C[5,5])(CN)2	C(CC[5]C)(N)	N(CC)	C(C[5]C[5,6a]C[5,5])(CN)2	177.4810	1.146	4	177.4810	1.313	4	177.0301	4.579	263	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[5]-3:C-2:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]C[5,6a]C[5])(CN)2	C(CC[5]C)(N)	N(CC)	C(C[5]C[5,6a]C[5])(CN)2	177.0667	1.493	64	177.0667	2.229	64	177.0301	4.579	263	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[5]-3:C-2:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]C[5,6a]N[5])(CN)2	C(CC[5]C)(N)	N(CC)	C(C[5]C[5,6a]N[5])(CN)2	179.0920	0.576	2	179.0920	0.331	2	177.0301	4.579	263	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[5]-3:C-2:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]C[5]2)(CN)2	C(CC[5]C)(N)	N(CC)	C(C[5]C[5]2)(CN)2	176.4489	2.006	22	176.4489	4.023	22	177.0301	4.579	263	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[5]-3:C-2:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]C[5]N[5])(CN)2	C(CC[5]C)(N)	N(CC)	C(C[5]C[5]N[5])(CN)2	174.0690	0.973	2	174.0690	0.947	2	177.0301	4.579	263	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[5]-3:C-2:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]C[5]O[5])(CN)2	C(CC[5]C)(N)	N(CC)	C(C[5]C[5]O[5])(CN)2	177.5653	1.888	75	177.5653	3.566	75	177.0301	4.579	263	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[5]-3:C-2:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]N[5]2)(CN)2	C(CC[5]C)(N)	N(CC)	C(C[5]N[5]2)(CN)2	177.8682	1.577	8	177.8682	2.488	8	177.0301	4.579	263	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[5]-3:C-2:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]N[5]S[5])(CN)2	C(CC[5]C)(N)	N(CC)	C(C[5]N[5]S[5])(CN)2	177.2510	1.742	18	177.2510	3.036	18	177.0301	4.579	263	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[5a]-3:C-2:C-2:	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a,6a]C[5a])(CN)2	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a,6a]C[5a])(CN)2	176.1270	2.573	4	176.1270	6.622	4	177.3750	2.450	74	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[5a]-3:C-2:C-2:	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a,6a]N[5a])(CN)2	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a,6a]N[5a])(CN)2	175.3922	1.086	8	175.3922	1.179	8	177.3750	2.450	74	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[5a]-3:C-2:C-2:	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a]N[5a])(CN)2	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a]N[5a])(CN)2	175.6270	2.385	4	175.6270	5.687	4	177.3750	2.450	74	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[5a]-3:C-2:C-2:	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a]S[5a])(CN)2	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a]S[5a])(CN)2	177.8553	1.155	40	177.8553	1.335	40	177.3750	2.450	74	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[5a]-3:C-2:C-2:	C(CC[5a]C)(N)	N(CC)	C(C[5a]N[5a]S[5a])(CN)2	C(CC[5a]C)(N)	N(CC)	C(C[5a]N[5a]S[5a])(CN)2	177.8548	1.039	18	177.8548	1.079	18	177.3750	2.450	74	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[5a]-3:C-2:N-2:	C(CC[5a]N)(N)	N(CC)	C(C[5a]N[5a]2)(CN)(NO)	C(CC[5a]N)(N)	N(CC)	C(C[5a]N[5a]2)(CN)(NO)	177.9380	0.000	1	177.9380	0.000	1	176.6637	4.932	4	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[5a]-3:C-2:N-2:	C(CC[5a]N)(N)	N(CC)	C(C[5a]N[5a]O[5a])(CN)(NN)	C(CC[5a]N)(N)	N(CC)	C(C[5a]N[5a]O[5a])(CN)(NN)	179.1280	0.000	1	179.1280	0.000	1	176.6637	4.932	4	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[5a]-3:C-2:N-2:	C(CC[5a]N)(N)	N(CC)	C(C[5a]N[5a]S[5a])(CN)(NO)	C(CC[5a]N)(N)	N(CC)	C(C[5a]N[5a]S[5a])(CN)(NO)	174.7945	0.334	2	174.7945	0.112	2	176.6637	4.932	4	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[6,6]-3:C-2:C-2:	C(CC[6,6]C)(N)	N(CC)	C(C[6,6]C[3x6]C[6,6])(CN)2	C(CC[6,6]C)(N)	N(CC)	C(C[6,6]C[3x6]C[6,6])(CN)2	177.7660	1.171	2	177.7660	1.371	2	177.7660	1.371	2	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[6]-3:C-2:C-2:	C(CC[6]C)(N)	N(CC)	C(C[6]C[5a,6]C[6])(CN)2	C(CC[6]C)(N)	N(CC)	C(C[6]C[5a,6]C[6])(CN)2	178.8165	0.369	6	178.8165	0.136	6	177.8350	2.655	154	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[6]-3:C-2:C-2:	C(CC[6]C)(N)	N(CC)	C(C[6]C[6,6a]2)(CN)2	C(CC[6]C)(N)	N(CC)	C(C[6]C[6,6a]2)(CN)2	174.6476	2.028	8	174.6476	4.114	8	177.8350	2.655	154	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[6]-3:C-2:C-2:	C(CC[6]C)(N)	N(CC)	C(C[6]C[6,6a]C[6])(CN)2	C(CC[6]C)(N)	N(CC)	C(C[6]C[6,6a]C[6])(CN)2	176.8831	1.605	36	176.8831	2.577	36	177.8350	2.655	154	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[6]-3:C-2:C-2:	C(CC[6]C)(N)	N(CC)	C(C[6]C[6]2)(CN)2	C(CC[6]C)(N)	N(CC)	C(C[6]C[6]2)(CN)2	178.4672	1.000	96	178.4672	1.000	96	177.8350	2.655	154	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[6]-3:C-2:C-2:	C(CC[6]C)(N)	N(CC)	C(C[6]C[6]N[6])(CN)2	C(CC[6]C)(N)	N(CC)	C(C[6]C[6]N[6])(CN)2	177.0057	2.163	6	177.0057	4.680	6	177.8350	2.655	154	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[6]-3:C-2:C-2:	C(CC[6]C)(N)	N(CC)	C(C[6]S[6]2)(CN)2	C(CC[6]C)(N)	N(CC)	C(C[6]S[6]2)(CN)2	176.9170	2.072	2	176.9170	4.292	2	177.8350	2.655	154	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[6]-3:C-2:S-2:	C(CC[6]S)(N)	N(CC)	C(C[6]C[6]O[6])(CN)(SC)	C(CC[6]S)(N)	N(CC)	C(C[6]C[6]O[6])(CN)(SC)	176.6010	0.000	1	176.6010	0.000	1	176.6010	0.000	1	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[6a]-3:C-2:C-2:	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[5a,6a]2)(CN)2	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[5a,6a]2)(CN)2	172.4900	1.162	8	172.4900	1.350	8	177.6272	2.723	1116	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[6a]-3:C-2:C-2:	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[5a,6a]C[6a])(CN)2	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[5a,6a]C[6a])(CN)2	176.3700	1.800	6	176.3700	3.241	6	177.6272	2.723	1116	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[6a]-3:C-2:C-2:	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a,6a]2)(CN)2	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a,6a]2)(CN)2	176.1358	1.121	24	176.1358	1.256	24	177.6272	2.723	1116	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[6a]-3:C-2:C-2:	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a,6a]C[6a])(CN)2	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a,6a]C[6a])(CN)2	177.6265	1.477	2	177.6265	2.182	2	177.6272	2.723	1116	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[6a]-3:C-2:C-2:	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CC[6])(CN)	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CC[6])(CN)	177.4880	0.422	3	177.4880	0.178	3	177.6272	2.723	1116	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[6a]-3:C-2:C-2:	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CN)2	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CN)2	177.7155	1.588	1059	177.7155	2.523	1059	177.6272	2.723	1116	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[6a]-3:C-2:C-2:	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]N[6a])(CN)2	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]N[6a])(CN)2	177.0041	1.303	14	177.0041	1.697	14	177.6272	2.723	1116	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[6a]-3:C-2:N-2:	C(CC[6a]N)(N)	N(CC)	C(C[6a]C[6a]2)(CN)(NC)	C(CC[6a]N)(N)	N(CC)	C(C[6a]C[6a]2)(CN)(NC)	176.6710	0.000	1	176.6710	0.000	1	177.8900	1.161	35	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[6a]-3:C-2:N-2:	C(CC[6a]N)(N)	N(CC)	C(C[6a]C[6a]2)(CN)(NN)	C(CC[6a]N)(N)	N(CC)	C(C[6a]C[6a]2)(CN)(NN)	176.1500	0.000	1	176.1500	0.000	1	177.8900	1.161	35	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[6a]-3:C-2:N-2:	C(CC[6a]N)(N)	N(CC)	C(C[6a]C[6a]2)(CN)(NO)	C(CC[6a]N)(N)	N(CC)	C(C[6a]C[6a]2)(CN)(NO)	178.0784	0.940	31	178.0784	0.883	31	177.8900	1.161	35	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[6a]-3:C-2:N-2:	C(CC[6a]N)(N)	N(CC)	C(C[6a]C[6a]N[6a])(CN)(NN)	C(CC[6a]N)(N)	N(CC)	C(C[6a]C[6a]N[6a])(CN)(NN)	176.4490	1.790	2	176.4490	3.206	2	177.8900	1.161	35	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	C[6a]-3:N-2:C-2:	C(CC[6a]N)(N)	N(CC)	C(C[6a]C[6a]2)(NC[6a])(CN)	C(CC[6a]N)(N)	N(CC)	C(C[6a]C[6a]2)(NC[6a])(CN)	176.2372	2.858	5	176.2372	8.170	5	176.2372	8.170	5	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	N-3:C-2:C-2:	C(CCN)(N)	N(CC)	C(NCO)(CN)2	C(CCN)(N)	N(CC)	C(NCO)(CN)2	176.4885	0.862	2	176.4885	0.743	2	178.2225	1.309	16	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	N-3:C-2:C-2:	C(CCN)(N)	N(CC)	C(NCeO)(CN)2	C(CCN)(N)	N(CC)	C(NCeO)(CN)2	178.0990	1.532	2	178.0990	2.346	2	178.2225	1.309	16	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	N-3:C-2:C-2:	C(CCN)(N)	N(CC)	C(NGdO)(CN)2	C(CCN)(N)	N(CC)	C(NGdO)(CN)2	178.4110	1.573	2	178.4110	2.473	2	178.2225	1.309	16	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	N-3:C-2:C-2:	C(CCN)(N)	N(CC)	C(NLaO)(CN)2	C(CCN)(N)	N(CC)	C(NLaO)(CN)2	178.4780	1.300	2	178.4780	1.689	2	178.2225	1.309	16	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	N-3:C-2:C-2:	C(CCN)(N)	N(CC)	C(NNdO)(CN)2	C(CCN)(N)	N(CC)	C(NNdO)(CN)2	178.4450	1.650	2	178.4450	2.724	2	178.2225	1.309	16	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	N-3:C-2:C-2:	C(CCN)(N)	N(CC)	C(NOO)(CN)2	C(CCN)(N)	N(CC)	C(NOO)(CN)2	178.6195	0.689	6	178.6195	0.474	6	178.2225	1.309	16	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	N-3:C-2:N-2:	C(CNN)(N)	N(CC)	C(NFeN)(CN)(NN)	C(CNN)(N)	N(CC)	C(NFeN)(CN)(NN)	179.0055	0.054	2	179.0055	0.003	2	179.0055	0.003	2	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:2:2:	C-3:N-1:	C-2:	N-3:N-2:C-2:	C(CNN)(N)	N(CC)	C(NC[6a]H)(NC[6a])(CN)	C(CNN)(N)	N(CC)	C(NC[6a]H)(NC[6a])(CN)	176.6490	0.000	1	176.6490	0.000	1	176.6490	0.000	1	177.6881	2.366	3662	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CCC)(CCH)(CN)	C(CCC)(N)	N(CC)	C(CCC)(CCH)(CN)	178.2523	2.001	3	178.2523	4.004	3	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CCC)(CCO)(CN)	C(CCC)(N)	N(CC)	C(CCC)(CCO)(CN)	177.7720	0.000	1	177.7720	0.000	1	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CCC)(COO)(CN)	C(CCC)(N)	N(CC)	C(CCC)(COO)(CN)	174.6430	0.000	1	174.6430	0.000	1	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CCC)2(CN)	C(CCC)(N)	N(CC)	C(CCC)2(CN)	177.0180	1.277	4	177.0180	1.631	4	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CCH)(CHS)(CN)	C(CCC)(N)	N(CC)	C(CCH)(CHS)(CN)	177.3990	0.000	1	177.3990	0.000	1	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CCH)(CNO)(CN)	C(CCC)(N)	N(CC)	C(CCH)(CNO)(CN)	178.1410	0.632	3	178.1410	0.399	3	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CCH)2(CN)	C(CCC)(N)	N(CC)	C(CCH)2(CN)	178.1580	0.577	2	178.1580	0.333	2	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CCN)(CCO)(CN)	C(CCC)(N)	N(CC)	C(CCN)(CCO)(CN)	178.8510	1.030	2	178.8510	1.060	2	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CCN)(CHN)(CN)	C(CCC)(N)	N(CC)	C(CCN)(CHN)(CN)	176.9150	0.000	1	176.9150	0.000	1	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CCN)(CHO)(CN)	C(CCC)(N)	N(CC)	C(CCN)(CHO)(CN)	178.6495	0.105	2	178.6495	0.011	2	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CCN)(CSS)(CN)	C(CCC)(N)	N(CC)	C(CCN)(CSS)(CN)	178.8690	0.000	1	178.8690	0.000	1	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CCN)2(CN)	C(CCC)(N)	N(CC)	C(CCN)2(CN)	179.2931	0.775	8	179.2931	0.601	8	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CCO)(CHN)(CN)	C(CCC)(N)	N(CC)	C(CCO)(CHN)(CN)	178.1090	0.000	1	178.1090	0.000	1	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CCO)(CNO)(CN)	C(CCC)(N)	N(CC)	C(CCO)(CNO)(CN)	177.4763	1.498	12	177.4763	2.245	12	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CCO)2(CN)	C(CCC)(N)	N(CC)	C(CCO)2(CN)	178.8420	0.824	11	178.8420	0.678	11	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CCS)(COO)(CN)	C(CCC)(N)	N(CC)	C(CCS)(COO)(CN)	178.0650	0.000	1	178.0650	0.000	1	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[5]H)(CCC)(CN)	C(CCC)(N)	N(CC)	C(CC[5]H)(CCC)(CN)	177.0180	0.000	1	177.0180	0.000	1	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[5]H)(COO)(CN)	C(CCC)(N)	N(CC)	C(CC[5]H)(COO)(CN)	179.3730	0.000	1	179.3730	0.000	1	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[5a]H)(CCO)(CN)	C(CCC)(N)	N(CC)	C(CC[5a]H)(CCO)(CN)	177.6570	0.000	1	177.6570	0.000	1	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[5a]H)(CHN)(CN)	C(CCC)(N)	N(CC)	C(CC[5a]H)(CHN)(CN)	177.9155	1.022	2	177.9155	1.044	2	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[5a]H)(CNO)(CN)	C(CCC)(N)	N(CC)	C(CC[5a]H)(CNO)(CN)	174.2720	0.035	2	174.2720	0.001	2	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[5a]H)(COO)(CN)	C(CCC)(N)	N(CC)	C(CC[5a]H)(COO)(CN)	178.5458	0.637	14	178.5458	0.405	14	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[5a]O)(CCH)(CN)	C(CCC)(N)	N(CC)	C(CC[5a]O)(CCH)(CN)	178.0750	0.000	1	178.0750	0.000	1	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[5a]O)(CC[6a]H)(CN)	C(CCC)(N)	N(CC)	C(CC[5a]O)(CC[6a]H)(CN)	178.2370	0.000	1	178.2370	0.000	1	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[5a]O)(CHN)(CN)	C(CCC)(N)	N(CC)	C(CC[5a]O)(CHN)(CN)	177.8620	0.000	1	177.8620	0.000	1	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[6]H)(COO)(CN)	C(CCC)(N)	N(CC)	C(CC[6]H)(COO)(CN)	179.3290	0.000	1	179.3290	0.000	1	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]C)(CCC)(CN)	C(CCC)(N)	N(CC)	C(CC[6a]C)(CCC)(CN)	174.4465	2.592	4	174.4465	6.717	4	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]C)(CCH)(CN)	C(CCC)(N)	N(CC)	C(CC[6a]C)(CCH)(CN)	176.1740	1.672	2	176.1740	2.794	2	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]C)(CCN)(CN)	C(CCC)(N)	N(CC)	C(CC[6a]C)(CCN)(CN)	177.5230	0.000	1	177.5230	0.000	1	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]C)(CRuC)(CN)	C(CCC)(N)	N(CC)	C(CC[6a]C)(CRuC)(CN)	176.9810	0.000	1	176.9810	0.000	1	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]C)(CRuN)(CN)	C(CCC)(N)	N(CC)	C(CC[6a]C)(CRuN)(CN)	176.5630	0.000	1	176.5630	0.000	1	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]C)2(CN)	C(CCC)(N)	N(CC)	C(CC[6a]C)2(CN)	174.9523	1.279	3	174.9523	1.637	3	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]C[5])(COO)(CN)	C(CCC)(N)	N(CC)	C(CC[6a]C[5])(COO)(CN)	178.2500	0.000	1	178.2500	0.000	1	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]H)(CCH)(CN)	C(CCC)(N)	N(CC)	C(CC[6a]H)(CCH)(CN)	176.1795	0.449	2	176.1795	0.202	2	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]H)(CC[6a]O)(CN)	C(CCC)(N)	N(CC)	C(CC[6a]H)(CC[6a]O)(CN)	176.5230	0.000	1	176.5230	0.000	1	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]H)(CHO)(CN)	C(CCC)(N)	N(CC)	C(CC[6a]H)(CHO)(CN)	177.0850	0.000	1	177.0850	0.000	1	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]H)(CNO)(CN)	C(CCC)(N)	N(CC)	C(CC[6a]H)(CNO)(CN)	177.1008	0.875	18	177.1008	0.765	18	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]H)(CNS)(CN)	C(CCC)(N)	N(CC)	C(CC[6a]H)(CNS)(CN)	177.4812	1.375	5	177.4812	1.890	5	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]H)(COO)(CN)	C(CCC)(N)	N(CC)	C(CC[6a]H)(COO)(CN)	178.5038	0.966	49	178.5038	0.933	49	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]N)(COO)(CN)	C(CCC)(N)	N(CC)	C(CC[6a]N)(COO)(CN)	178.1265	0.972	2	178.1265	0.945	2	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]O)(CCH)(CN)	C(CCC)(N)	N(CC)	C(CC[6a]O)(CCH)(CN)	177.4382	1.064	4	177.4382	1.132	4	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]O)(CNS)(CN)	C(CCC)(N)	N(CC)	C(CC[6a]O)(CNS)(CN)	178.1200	0.000	1	178.1200	0.000	1	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CHN)(CNO)(CN)	C(CCC)(N)	N(CC)	C(CHN)(CNO)(CN)	175.0187	1.241	3	175.0187	1.541	3	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CHN)(COO)(CN)	C(CCC)(N)	N(CC)	C(CHN)(COO)(CN)	178.0171	0.811	17	178.0171	0.658	17	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CHN)2(CN)	C(CCC)(N)	N(CC)	C(CHN)2(CN)	178.6723	0.730	4	178.6723	0.533	4	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CNO)(CNS)(CN)	C(CCC)(N)	N(CC)	C(CNO)(CNS)(CN)	177.6806	1.507	7	177.6806	2.273	7	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CNO)2(CN)	C(CCC)(N)	N(CC)	C(CNO)2(CN)	176.4220	1.914	23	176.4220	3.663	23	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CNS)(COO)(CN)	C(CCC)(N)	N(CC)	C(CNS)(COO)(CN)	179.3350	0.000	1	179.3350	0.000	1	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CN[5]O)(CCC)(CN)	C(CCC)(N)	N(CC)	C(CN[5]O)(CCC)(CN)	179.1040	0.000	1	179.1040	0.000	1	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CN[6]C)(COO)(CN)	C(CCC)(N)	N(CC)	C(CN[6]C)(COO)(CN)	177.1305	0.251	4	177.1305	0.063	4	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(COO)(CSS)(CN)	C(CCC)(N)	N(CC)	C(COO)(CSS)(CN)	176.7620	0.000	1	176.7620	0.000	1	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(COO)2(CN)	C(CCC)(N)	N(CC)	C(COO)2(CN)	179.1900	0.000	1	179.1900	0.000	1	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CPtH)(CCH)(CN)	C(CCC)(N)	N(CC)	C(CPtH)(CCH)(CN)	174.9753	2.389	3	174.9753	5.708	3	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CRuC)(CNO)(CN)	C(CCC)(N)	N(CC)	C(CRuC)(CNO)(CN)	179.5670	0.000	1	179.5670	0.000	1	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:C-3:C-2:	C(CCC)(N)	N(CC)	C(CRuC)(COO)(CN)	C(CCC)(N)	N(CC)	C(CRuC)(COO)(CN)	176.3510	0.000	1	176.3510	0.000	1	177.6892	2.440	242	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:N-3:C-2:	C(CCN)(N)	N(CC)	C(CCC)(NHH)(CN)	C(CCN)(N)	N(CC)	C(CCC)(NHH)(CN)	178.7090	0.000	1	178.7090	0.000	1	177.8123	1.652	59	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:N-3:C-2:	C(CCN)(N)	N(CC)	C(CCH)(NCC)(CN)	C(CCN)(N)	N(CC)	C(CCH)(NCC)(CN)	176.0380	0.000	1	176.0380	0.000	1	177.8123	1.652	59	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:N-3:C-2:	C(CCN)(N)	N(CC)	C(CCN)(NCH)(CN)	C(CCN)(N)	N(CC)	C(CCN)(NCH)(CN)	175.4370	3.227	3	175.4370	10.412	3	177.8123	1.652	59	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:N-3:C-2:	C(CCN)(N)	N(CC)	C(CCN)(NHH)(CN)	C(CCN)(N)	N(CC)	C(CCN)(NHH)(CN)	178.3634	0.721	27	178.3634	0.519	27	177.8123	1.652	59	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:N-3:C-2:	C(CCN)(N)	N(CC)	C(CC[6a]H)(NOO)(CN)	C(CCN)(N)	N(CC)	C(CC[6a]H)(NOO)(CN)	179.5260	0.000	1	179.5260	0.000	1	177.8123	1.652	59	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:N-3:C-2:	C(CCN)(N)	N(CC)	C(CC[6a]N)(NOO)(CN)	C(CCN)(N)	N(CC)	C(CC[6a]N)(NOO)(CN)	176.7430	0.000	1	176.7430	0.000	1	177.8123	1.652	59	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:N-3:C-2:	C(CCN)(N)	N(CC)	C(CC[6a]O)(NFeO)(CN)	C(CCN)(N)	N(CC)	C(CC[6a]O)(NFeO)(CN)	177.7198	0.852	12	177.7198	0.725	12	177.8123	1.652	59	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:N-3:C-2:	C(CCN)(N)	N(CC)	C(CHN)(NCC)(CN)	C(CCN)(N)	N(CC)	C(CHN)(NCC)(CN)	176.1157	1.539	3	176.1157	2.369	3	177.8123	1.652	59	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:N-3:C-2:	C(CCN)(N)	N(CC)	C(CNN)(NOO)(CN)	C(CCN)(N)	N(CC)	C(CNN)(NOO)(CN)	176.8780	0.000	1	176.8780	0.000	1	177.8123	1.652	59	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:N-3:C-2:	C(CCN)(N)	N(CC)	C(CNO)(NOO)(CN)	C(CCN)(N)	N(CC)	C(CNO)(NOO)(CN)	177.7600	0.000	1	177.7600	0.000	1	177.8123	1.652	59	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C-3:N-3:C-2:	C(CCN)(N)	N(CC)	C(CN[6]O)(NPtO)(CN)	C(CCN)(N)	N(CC)	C(CN[6]O)(NPtO)(CN)	177.7705	0.923	8	177.7705	0.852	8	177.8123	1.652	59	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5]-3:C-3:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]C[5,6a]2)(COO)(CN)	C(CC[5]C)(N)	N(CC)	C(C[5]C[5,6a]2)(COO)(CN)	177.3230	0.936	2	177.3230	0.876	2	177.1427	3.009	29	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5]-3:C-3:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]C[5,6a]C[5])(CC[5]C)(CN)	C(CC[5]C)(N)	N(CC)	C(C[5]C[5,6a]C[5])(CC[5]C)(CN)	177.4045	0.067	2	177.4045	0.005	2	177.1427	3.009	29	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5]-3:C-3:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]C[5,6a]C[5])(CC[6a]O)(CN)	C(CC[5]C)(N)	N(CC)	C(C[5]C[5,6a]C[5])(CC[6a]O)(CN)	176.5720	0.000	1	176.5720	0.000	1	177.1427	3.009	29	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5]-3:C-3:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]C[5]N[5])(CC[5]C)(CN)	C(CC[5]C)(N)	N(CC)	C(C[5]C[5]N[5])(CC[5]C)(CN)	172.7750	2.389	2	172.7750	5.705	2	177.1427	3.009	29	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5]-3:C-3:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]C[5]N[5])(CHO)(CN)	C(CC[5]C)(N)	N(CC)	C(C[5]C[5]N[5])(CHO)(CN)	178.3500	0.000	1	178.3500	0.000	1	177.1427	3.009	29	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5]-3:C-3:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]C[5]N[5])(CNO)(CN)	C(CC[5]C)(N)	N(CC)	C(C[5]C[5]N[5])(CNO)(CN)	176.3500	0.000	1	176.3500	0.000	1	177.1427	3.009	29	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5]-3:C-3:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]C[5]N[5])(COO)(CN)	C(CC[5]C)(N)	N(CC)	C(C[5]C[5]N[5])(COO)(CN)	178.6270	0.000	1	178.6270	0.000	1	177.1427	3.009	29	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5]-3:C-3:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]C[5]O[5])(CC[5]C)(CN)	C(CC[5]C)(N)	N(CC)	C(C[5]C[5]O[5])(CC[5]C)(CN)	176.1130	0.000	1	176.1130	0.000	1	177.1427	3.009	29	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5]-3:C-3:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]N[5]2)(CCC)(CN)	C(CC[5]C)(N)	N(CC)	C(C[5]N[5]2)(CCC)(CN)	177.9320	0.675	2	177.9320	0.455	2	177.1427	3.009	29	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5]-3:C-3:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]N[5]2)(CC[5]C)(CN)	C(CC[5]C)(N)	N(CC)	C(C[5]N[5]2)(CC[5]C)(CN)	176.8430	0.000	1	176.8430	0.000	1	177.1427	3.009	29	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5]-3:C-3:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]N[5]2)(CC[6a]O)(CN)	C(CC[5]C)(N)	N(CC)	C(C[5]N[5]2)(CC[6a]O)(CN)	177.8880	0.000	1	177.8880	0.000	1	177.1427	3.009	29	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5]-3:C-3:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]N[5]2)(CNO)(CN)	C(CC[5]C)(N)	N(CC)	C(C[5]N[5]2)(CNO)(CN)	174.7330	0.000	1	174.7330	0.000	1	177.1427	3.009	29	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5]-3:C-3:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]N[5]2)(COO)(CN)	C(CC[5]C)(N)	N(CC)	C(C[5]N[5]2)(COO)(CN)	176.9370	0.000	1	176.9370	0.000	1	177.1427	3.009	29	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5]-3:C-3:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]N[5]2)(CRuC)(CN)	C(CC[5]C)(N)	N(CC)	C(C[5]N[5]2)(CRuC)(CN)	178.0435	1.401	4	178.0435	1.962	4	177.1427	3.009	29	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5]-3:C-3:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]N[5]S[5])(CC[5a]O)(CN)	C(CC[5]C)(N)	N(CC)	C(C[5]N[5]S[5])(CC[5a]O)(CN)	178.3890	0.000	1	178.3890	0.000	1	177.1427	3.009	29	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5]-3:C-3:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]N[5]S[5])(CNO)(CN)	C(CC[5]C)(N)	N(CC)	C(C[5]N[5]S[5])(CNO)(CN)	179.1480	0.000	1	179.1480	0.000	1	177.1427	3.009	29	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5]-3:C-3:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]N[5]S[5])(CNS)(CN)	C(CC[5]C)(N)	N(CC)	C(C[5]N[5]S[5])(CNS)(CN)	178.5290	0.000	1	178.5290	0.000	1	177.1427	3.009	29	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5]-3:C-3:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]N[5]S[5])(COO)(CN)	C(CC[5]C)(N)	N(CC)	C(C[5]N[5]S[5])(COO)(CN)	177.0337	1.266	3	177.0337	1.602	3	177.1427	3.009	29	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5]-3:C-3:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]O[5]S[5])(CC[5a]O)(CN)	C(CC[5]C)(N)	N(CC)	C(C[5]O[5]S[5])(CC[5a]O)(CN)	178.9220	0.000	1	178.9220	0.000	1	177.1427	3.009	29	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5]-3:C-3:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]S[5]2)(CC[6]C)(CN)	C(CC[5]C)(N)	N(CC)	C(C[5]S[5]2)(CC[6]C)(CN)	175.5940	0.000	1	175.5940	0.000	1	177.1427	3.009	29	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5]-3:C[5]-3:C-2:	C(CC[5]2)(N)	N(CC)	C(C[5]N[5]O[5])2(CN)	C(CC[5]2)(N)	N(CC)	C(C[5]N[5]O[5])2(CN)	178.9620	0.614	2	178.9620	0.377	2	178.9620	0.377	2	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5]-3:C[5a]-3:C-2:	C(CC[5a]C[5])(N)	N(CC)	C(C[5]C[5,6a]N[5])(C[5a]C[5a]S[5a])(CN)	C(CC[5a]C[5])(N)	N(CC)	C(C[5]C[5,6a]N[5])(C[5a]C[5a]S[5a])(CN)	177.3015	1.829	2	177.3015	3.346	2	175.8625	4.663	4	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5]-3:C[5a]-3:C-2:	C(CC[5a]C[5])(N)	N(CC)	C(C[5]C[5]N[5])(C[5a]N[5a]2)(CN)	C(CC[5a]C[5])(N)	N(CC)	C(C[5]C[5]N[5])(C[5a]N[5a]2)(CN)	173.3370	0.000	1	173.3370	0.000	1	175.8625	4.663	4	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5]-3:C[5a]-3:C-2:	C(CC[5a]C[5])(N)	N(CC)	C(C[5]N[5]S[5])(C[5a]N[5a]2)(CN)	C(CC[5a]C[5])(N)	N(CC)	C(C[5]N[5]S[5])(C[5a]N[5a]2)(CN)	175.5100	0.000	1	175.5100	0.000	1	175.8625	4.663	4	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5]-3:C[6a]-3:C-2:	C(CC[6a]C[5])(N)	N(CC)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN)	C(CC[6a]C[5])(N)	N(CC)	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CN)	172.0950	0.000	1	172.0950	0.000	1	175.4290	5.294	8	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5]-3:C[6a]-3:C-2:	C(CC[6a]C[5])(N)	N(CC)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(CN)	C(CC[6a]C[5])(N)	N(CC)	C(C[5]C[5,6a]N[5])(C[6a]C[6a]2)(CN)	176.7335	0.730	2	176.7335	0.534	2	175.4290	5.294	8	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5]-3:C[6a]-3:C-2:	C(CC[6a]C[5])(N)	N(CC)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CN)	C(CC[6a]C[5])(N)	N(CC)	C(C[5]C[5]N[5])(C[6a]C[6a]2)(CN)	175.0817	2.384	4	175.0817	5.684	4	175.4290	5.294	8	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5]-3:C[6a]-3:C-2:	C(CC[6a]C[5])(N)	N(CC)	C(C[5]C[5]N[5])(C[6a]N[6a]2)(CN)	C(CC[6a]C[5])(N)	N(CC)	C(C[5]C[5]N[5])(C[6a]N[6a]2)(CN)	177.5430	0.000	1	177.5430	0.000	1	175.4290	5.294	8	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5]-3:N-3:C-2:	C(CC[5]N)(N)	N(CC)	C(C[5]C[5,6a]N[5])(NHH)(CN)	C(CC[5]N)(N)	N(CC)	C(C[5]C[5,6a]N[5])(NHH)(CN)	176.5315	0.821	2	176.5315	0.674	2	176.5315	0.674	2	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5a]-3:C-3:C-2:	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a,6]C[5a])(CCC)(CN)	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a,6]C[5a])(CCC)(CN)	178.7200	0.000	1	178.7200	0.000	1	177.6202	1.776	54	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5a]-3:C-3:C-2:	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a,6]S[5a])(CCC)(CN)	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a,6]S[5a])(CCC)(CN)	176.5030	0.099	2	176.5030	0.010	2	177.6202	1.776	54	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5a]-3:C-3:C-2:	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a,6]S[5a])(CC[5a]H)(CN)	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a,6]S[5a])(CC[5a]H)(CN)	177.0180	0.000	1	177.0180	0.000	1	177.6202	1.776	54	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5a]-3:C-3:C-2:	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a,6a]2)(COO)(CN)	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a,6a]2)(COO)(CN)	178.5910	0.000	1	178.5910	0.000	1	177.6202	1.776	54	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5a]-3:C-3:C-2:	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a,6a]C[5a])(CCC)(CN)	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a,6a]C[5a])(CCC)(CN)	178.8320	0.000	1	178.8320	0.000	1	177.6202	1.776	54	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5a]-3:C-3:C-2:	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a,6a]N[5a])(COO)(CN)	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a,6a]N[5a])(COO)(CN)	179.2440	0.482	2	179.2440	0.233	2	177.6202	1.776	54	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5a]-3:C-3:C-2:	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a]2)(CC[5a]C)(CN)	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a]2)(CC[5a]C)(CN)	176.2915	0.653	2	176.2915	0.426	2	177.6202	1.776	54	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5a]-3:C-3:C-2:	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a]2)(CC[6a]H)(CN)	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a]2)(CC[6a]H)(CN)	176.7720	0.403	2	176.7720	0.162	2	177.6202	1.776	54	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5a]-3:C-3:C-2:	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a]N[5a])(CCO)(CN)	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a]N[5a])(CCO)(CN)	177.7220	0.000	1	177.7220	0.000	1	177.6202	1.776	54	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5a]-3:C-3:C-2:	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a]N[5a])(CC[5a]H)(CN)	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a]N[5a])(CC[5a]H)(CN)	178.5730	0.000	1	178.5730	0.000	1	177.6202	1.776	54	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5a]-3:C-3:C-2:	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a]N[5a])(CC[6a]H)(CN)	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a]N[5a])(CC[6a]H)(CN)	177.0100	0.044	2	177.0100	0.002	2	177.6202	1.776	54	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5a]-3:C-3:C-2:	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a]O[5a])(CC[5a]H)(CN)	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a]O[5a])(CC[5a]H)(CN)	175.2070	0.884	2	175.2070	0.781	2	177.6202	1.776	54	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5a]-3:C-3:C-2:	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a]S[5a])(CCC)(CN)	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a]S[5a])(CCC)(CN)	177.8471	1.656	17	177.8471	2.742	17	177.6202	1.776	54	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5a]-3:C-3:C-2:	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a]S[5a])(CCO)(CN)	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a]S[5a])(CCO)(CN)	177.8650	0.000	1	177.8650	0.000	1	177.6202	1.776	54	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5a]-3:C-3:C-2:	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a]S[5a])(CC[5a]H)(CN)	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a]S[5a])(CC[5a]H)(CN)	176.7850	0.000	1	176.7850	0.000	1	177.6202	1.776	54	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5a]-3:C-3:C-2:	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a]S[5a])(CC[6a]H)(CN)	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a]S[5a])(CC[6a]H)(CN)	177.0583	0.381	3	177.0583	0.145	3	177.6202	1.776	54	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5a]-3:C-3:C-2:	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a]S[5a])(COO)(CN)	C(CC[5a]C)(N)	N(CC)	C(C[5a]C[5a]S[5a])(COO)(CN)	177.8040	0.000	1	177.8040	0.000	1	177.6202	1.776	54	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5a]-3:C-3:C-2:	C(CC[5a]C)(N)	N(CC)	C(C[5a]N[5a,6a]C[5a])(CC[5a]C)(CN)	C(CC[5a]C)(N)	N(CC)	C(C[5a]N[5a,6a]C[5a])(CC[5a]C)(CN)	178.9320	0.720	2	178.9320	0.518	2	177.6202	1.776	54	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5a]-3:C-3:C-2:	C(CC[5a]C)(N)	N(CC)	C(C[5a]N[5a]O[5a])(CC[5a]H)(CN)	C(CC[5a]C)(N)	N(CC)	C(C[5a]N[5a]O[5a])(CC[5a]H)(CN)	177.4510	0.000	1	177.4510	0.000	1	177.6202	1.776	54	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5a]-3:C-3:C-2:	C(CC[5a]C)(N)	N(CC)	C(C[5a]N[5a]O[5a])(CC[6a]H)(CN)	C(CC[5a]C)(N)	N(CC)	C(C[5a]N[5a]O[5a])(CC[6a]H)(CN)	177.7370	0.324	2	177.7370	0.105	2	177.6202	1.776	54	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5a]-3:C-3:C-2:	C(CC[5a]C)(N)	N(CC)	C(C[5a]N[5a]S[5a])(CC[6a]H)(CN)	C(CC[5a]C)(N)	N(CC)	C(C[5a]N[5a]S[5a])(CC[6a]H)(CN)	178.1367	0.806	7	178.1367	0.649	7	177.6202	1.776	54	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5a]-3:C-3:C-2:	C(CC[5a]C)(N)	N(CC)	C(C[5a]N[5a]S[5a])(CHN)(CN)	C(CC[5a]C)(N)	N(CC)	C(C[5a]N[5a]S[5a])(CHN)(CN)	175.2050	0.000	1	175.2050	0.000	1	177.6202	1.776	54	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5a]-3:C[5]-3:C-2:	C(CC[5a]C[5])(N)	N(CC)	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5])(CN)	C(CC[5a]C[5])(N)	N(CC)	C(C[5a]C[5a]N[5a])(C[5]C[5]O[5])(CN)	174.3770	1.698	3	174.3770	2.882	3	174.7423	1.663	6	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5a]-3:C[5]-3:C-2:	C(CC[5a]C[5])(N)	N(CC)	C(C[5a]N[5a]S[5a])(C[5]C[5]N[5])(CN)	C(CC[5a]C[5])(N)	N(CC)	C(C[5a]N[5a]S[5a])(C[5]C[5]N[5])(CN)	175.1077	0.936	3	175.1077	0.876	3	174.7423	1.663	6	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5a]-3:C[5a]-3:C-2:	C(CC[5a]2)(N)	N(CC)	C(C[5a]C[5a]N[5a])2(CN)	C(CC[5a]2)(N)	N(CC)	C(C[5a]C[5a]N[5a])2(CN)	178.7780	0.000	1	178.7780	0.000	1	178.7780	0.000	1	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5a]-3:C[6]-3:C-2:	C(CC[5a]C[6])(N)	N(CC)	C(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])(CN)	C(CC[5a]C[6])(N)	N(CC)	C(C[5a]C[5a,6a]N[5a])(C[6]C[6]N[6])(CN)	175.9735	1.099	4	175.9735	1.208	4	175.9735	1.208	4	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5a]-3:C[6a]-3:C-2:	C(CC[5a]C[6a])(N)	N(CC)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CN)	C(CC[5a]C[6a])(N)	N(CC)	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CN)	171.9640	0.000	1	171.9640	0.000	1	173.4100	4.182	2	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[5a]-3:C[6a]-3:C-2:	C(CC[5a]C[6a])(N)	N(CC)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CN)	C(CC[5a]C[6a])(N)	N(CC)	C(C[5a]C[5a]2)(C[6a]C[6a]2)(CN)	174.8560	0.000	1	174.8560	0.000	1	173.4100	4.182	2	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6]-3:C-3:C-2:	C(CC[6]C)(N)	N(CC)	C(C[6]C[4,6]C[6])(COO)(CN)	C(CC[6]C)(N)	N(CC)	C(C[6]C[4,6]C[6])(COO)(CN)	178.6205	0.688	2	178.6205	0.473	2	177.6345	2.199	29	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6]-3:C-3:C-2:	C(CC[6]C)(N)	N(CC)	C(C[6]C[6,6a]2)(COO)(CN)	C(CC[6]C)(N)	N(CC)	C(C[6]C[6,6a]2)(COO)(CN)	177.4560	0.000	1	177.4560	0.000	1	177.6345	2.199	29	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6]-3:C-3:C-2:	C(CC[6]C)(N)	N(CC)	C(C[6]C[6,6a]C[6])(CC[6a]O)(CN)	C(CC[6]C)(N)	N(CC)	C(C[6]C[6,6a]C[6])(CC[6a]O)(CN)	178.1930	0.000	1	178.1930	0.000	1	177.6345	2.199	29	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6]-3:C-3:C-2:	C(CC[6]C)(N)	N(CC)	C(C[6]C[6]2)(CCC)(CN)	C(CC[6]C)(N)	N(CC)	C(C[6]C[6]2)(CCC)(CN)	176.8600	1.136	2	176.8600	1.290	2	177.6345	2.199	29	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6]-3:C-3:C-2:	C(CC[6]C)(N)	N(CC)	C(C[6]C[6]2)(CC[6a]H)(CN)	C(CC[6]C)(N)	N(CC)	C(C[6]C[6]2)(CC[6a]H)(CN)	176.8970	1.370	3	176.8970	1.877	3	177.6345	2.199	29	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6]-3:C-3:C-2:	C(CC[6]C)(N)	N(CC)	C(C[6]C[6]2)(COO)(CN)	C(CC[6]C)(N)	N(CC)	C(C[6]C[6]2)(COO)(CN)	177.4182	1.712	15	177.4182	2.930	15	177.6345	2.199	29	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6]-3:C-3:C-2:	C(CC[6]C)(N)	N(CC)	C(C[6]C[6]N[6])(CC[6]O)(CN)	C(CC[6]C)(N)	N(CC)	C(C[6]C[6]N[6])(CC[6]O)(CN)	177.5070	0.000	1	177.5070	0.000	1	177.6345	2.199	29	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6]-3:C-3:C-2:	C(CC[6]C)(N)	N(CC)	C(C[6]C[6]N[6])(CHN)(CN)	C(CC[6]C)(N)	N(CC)	C(C[6]C[6]N[6])(CHN)(CN)	179.4800	0.000	1	179.4800	0.000	1	177.6345	2.199	29	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6]-3:C-3:C-2:	C(CC[6]C)(N)	N(CC)	C(C[6]N[6]2)(CNO)(CN)	C(CC[6]C)(N)	N(CC)	C(C[6]N[6]2)(CNO)(CN)	177.2390	0.000	1	177.2390	0.000	1	177.6345	2.199	29	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6]-3:C-3:C-2:	C(CC[6]C)(N)	N(CC)	C(C[6]S[6]2)(COO)(CN)	C(CC[6]C)(N)	N(CC)	C(C[6]S[6]2)(COO)(CN)	179.3000	0.290	2	179.3000	0.084	2	177.6345	2.199	29	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6]-3:C[5]-3:C-2:	C(CC[5]C[6])(N)	N(CC)	C(C[6]C[6,6a]C[6])(C[5]N[5]S[5])(CN)	C(CC[5]C[6])(N)	N(CC)	C(C[6]C[6,6a]C[6])(C[5]N[5]S[5])(CN)	177.1430	0.000	1	177.1430	0.000	1	177.1430	0.000	1	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6]-3:C[6a]-3:C-2:	C(CC[6a]C[6])(N)	N(CC)	C(C[6]C[6]S[6])(C[6a]C[6a]2)(CN)	C(CC[6a]C[6])(N)	N(CC)	C(C[6]C[6]S[6])(C[6a]C[6a]2)(CN)	177.1780	0.000	1	177.1780	0.000	1	177.1780	0.000	1	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6]-3:N-3:C-2:	C(CC[6]N)(N)	N(CC)	C(C[6]C[6]N[6])(NMnO)(CN)	C(CC[6]N)(N)	N(CC)	C(C[6]C[6]N[6])(NMnO)(CN)	179.2570	0.000	1	179.2570	0.000	1	179.2570	0.000	1	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6a]-3:C-3:C-2:	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CCC)(CN)	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CCC)(CN)	177.9860	1.535	3	177.9860	2.357	3	177.1551	1.521	201	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6a]-3:C-3:C-2:	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CCH)(CN)	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CCH)(CN)	177.8165	1.079	4	177.8165	1.164	4	177.1551	1.521	201	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6a]-3:C-3:C-2:	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CCI)(CN)	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CCI)(CN)	177.3640	0.000	1	177.3640	0.000	1	177.1551	1.521	201	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6a]-3:C-3:C-2:	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CCN)(CN)	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CCN)(CN)	178.1300	0.827	2	178.1300	0.684	2	177.1551	1.521	201	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6a]-3:C-3:C-2:	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CCO)(CN)	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CCO)(CN)	178.3055	0.104	2	178.3055	0.011	2	177.1551	1.521	201	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6a]-3:C-3:C-2:	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CC[5]H)(CN)	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CC[5]H)(CN)	177.9077	1.248	6	177.9077	1.558	6	177.1551	1.521	201	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6a]-3:C-3:C-2:	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CC[5a]H)(CN)	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CC[5a]H)(CN)	177.6247	1.290	15	177.6247	1.664	15	177.1551	1.521	201	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6a]-3:C-3:C-2:	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CC[5a]O)(CN)	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CC[5a]O)(CN)	177.0673	0.495	3	177.0673	0.245	3	177.1551	1.521	201	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6a]-3:C-3:C-2:	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CC[5a]S)(CN)	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CC[5a]S)(CN)	176.0120	1.513	2	176.0120	2.290	2	177.1551	1.521	201	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6a]-3:C-3:C-2:	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CC[6a]2)(CN)	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CC[6a]2)(CN)	175.5949	0.700	12	175.5949	0.489	12	177.1551	1.521	201	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6a]-3:C-3:C-2:	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CC[6a]C)(CN)	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CC[6a]C)(CN)	175.9487	1.073	9	175.9487	1.150	9	177.1551	1.521	201	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6a]-3:C-3:C-2:	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CC[6a]H)(CN)	177.1921	1.154	119	177.1921	1.332	119	177.1551	1.521	201	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6a]-3:C-3:C-2:	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CC[6a]O)(CN)	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CC[6a]O)(CN)	177.2060	0.000	1	177.2060	0.000	1	177.1551	1.521	201	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6a]-3:C-3:C-2:	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CC[6a]S)(CN)	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CC[6a]S)(CN)	177.1064	1.437	5	177.1064	2.065	5	177.1551	1.521	201	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6a]-3:C-3:C-2:	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CHN)(CN)	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CHN)(CN)	177.4800	0.457	2	177.4800	0.209	2	177.1551	1.521	201	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6a]-3:C-3:C-2:	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CHO)(CN)	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CHO)(CN)	177.4760	0.000	1	177.4760	0.000	1	177.1551	1.521	201	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6a]-3:C-3:C-2:	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CNN)(CN)	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CNN)(CN)	177.7690	0.000	1	177.7690	0.000	1	177.1551	1.521	201	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6a]-3:C-3:C-2:	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CPP)(CN)	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CPP)(CN)	179.3490	0.000	1	179.3490	0.000	1	177.1551	1.521	201	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6a]-3:C-3:C-2:	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CSS)(CN)	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]2)(CSS)(CN)	175.8750	0.000	1	175.8750	0.000	1	177.1551	1.521	201	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6a]-3:C-3:C-2:	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]N[6a])(CCN)(CN)	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]N[6a])(CCN)(CN)	179.1620	0.000	1	179.1620	0.000	1	177.1551	1.521	201	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6a]-3:C-3:C-2:	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]N[6a])(CC[5]H)(CN)	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]N[6a])(CC[5]H)(CN)	176.5180	0.000	1	176.5180	0.000	1	177.1551	1.521	201	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6a]-3:C-3:C-2:	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]N[6a])(CC[6a]H)(CN)	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]N[6a])(CC[6a]H)(CN)	177.5426	0.441	5	177.5426	0.194	5	177.1551	1.521	201	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6a]-3:C-3:C-2:	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]N[6a])(CC[6a]N)(CN)	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]N[6a])(CC[6a]N)(CN)	176.0590	0.296	2	176.0590	0.087	2	177.1551	1.521	201	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6a]-3:C-3:C-2:	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]N[6a])(CHN)(CN)	C(CC[6a]C)(N)	N(CC)	C(C[6a]C[6a]N[6a])(CHN)(CN)	178.7290	0.614	2	178.7290	0.377	2	177.1551	1.521	201	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6a]-3:C[5]-3:C-2:	C(CC[6a]C[5])(N)	N(CC)	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])(CN)	C(CC[6a]C[5])(N)	N(CC)	C(C[6a]C[6a]N[6a])(C[5]C[5]N[5])(CN)	175.4820	0.000	1	175.4820	0.000	1	175.4820	0.000	1	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6a]-3:C[6]-3:C-2:	C(CC[6a]C[6])(N)	N(CC)	C(C[6a]C[6a]2)(C[6]C[6]2)(CN)	C(CC[6a]C[6])(N)	N(CC)	C(C[6a]C[6a]2)(C[6]C[6]2)(CN)	178.3710	0.503	2	178.3710	0.253	2	178.3710	0.253	2	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	C[6a]-3:N[6]-3:C-2:	C(CC[6a]N[6])(N)	N(CC)	C(C[6a]C[6a]2)(N[6]C[6]2)(CN)	C(CC[6a]N[6])(N)	N(CC)	C(C[6a]C[6a]2)(N[6]C[6]2)(CN)	175.6850	0.000	1	175.6850	0.000	1	175.6850	0.000	1	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	N-3:C-3:C-2:	C(CCN)(N)	N(CC)	C(NC[6]H)(CCN)(CN)	C(CCN)(N)	N(CC)	C(NC[6]H)(CCN)(CN)	175.6400	0.506	2	175.6400	0.256	2	177.7541	1.393	24	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	N-3:C-3:C-2:	C(CCN)(N)	N(CC)	C(NCuC)(CCN)(CN)	C(CCN)(N)	N(CC)	C(NCuC)(CCN)(CN)	177.9125	1.095	2	177.9125	1.200	2	177.7541	1.393	24	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	N-3:C-3:C-2:	C(CCN)(N)	N(CC)	C(NCuO)(CNO)(CN)	C(CCN)(N)	N(CC)	C(NCuO)(CNO)(CN)	177.9417	0.961	3	177.9417	0.924	3	177.7541	1.393	24	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	N-3:C-3:C-2:	C(CCN)(N)	N(CC)	C(NFeC)(CCN)(CN)	C(CCN)(N)	N(CC)	C(NFeC)(CCN)(CN)	177.2570	0.387	2	177.2570	0.150	2	177.7541	1.393	24	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	N-3:C-3:C-2:	C(CCN)(N)	N(CC)	C(NNiO)(CNO)(CN)	C(CCN)(N)	N(CC)	C(NNiO)(CNO)(CN)	177.7683	0.827	3	177.7683	0.684	3	177.7541	1.393	24	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	N-3:C-3:C-2:	C(CCN)(N)	N(CC)	C(NPtO)(CNO)(CN)	C(CCN)(N)	N(CC)	C(NPtO)(CNO)(CN)	177.8282	1.276	4	177.8282	1.628	4	177.7541	1.393	24	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	N-3:C-3:C-2:	C(CCN)(N)	N(CC)	C(NZnC)(CCN)(CN)	C(CCN)(N)	N(CC)	C(NZnC)(CCN)(CN)	178.2546	1.238	8	178.2546	1.532	8	177.7541	1.393	24	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	N-3:N-3:C-2:	C(CNN)(N)	N(CC)	C(NOO)2(CN)	C(CNN)(N)	N(CC)	C(NOO)2(CN)	178.5680	0.457	3	178.5680	0.209	3	178.5680	0.209	3	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	N[5a]-3:C[5]-3:C-2:	C(CN[5a]C[5])(N)	N(CC)	C(N[5a]C[5a]2)(C[5]S[5]2)(CN)	C(CN[5a]C[5])(N)	N(CC)	C(N[5a]C[5a]2)(C[5]S[5]2)(CN)	179.1205	0.825	2	179.1205	0.681	2	179.1205	0.681	2	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	N[6]-3:C-3:C-2:	C(CN[6]C)(N)	N(CC)	C(N[6]C[6]2)(CC[6a]H)(CN)	C(CN[6]C)(N)	N(CC)	C(N[6]C[6]2)(CC[6a]H)(CN)	177.1680	0.000	1	177.1680	0.000	1	176.7095	0.420	2	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	N[6]-3:C-3:C-2:	C(CN[6]C)(N)	N(CC)	C(N[6]C[6]N[6])(CCH)(CN)	C(CN[6]C)(N)	N(CC)	C(N[6]C[6]N[6])(CCH)(CN)	176.2510	0.000	1	176.2510	0.000	1	176.7095	0.420	2	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	S-3:C-3:C-2:	C(CCS)(N)	N(CC)	C(SAgCu)(CCS)(CN)	C(CCS)(N)	N(CC)	C(SAgCu)(CCS)(CN)	176.2593	0.932	3	176.2593	0.868	3	177.6292	2.218	19	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	S-3:C-3:C-2:	C(CCS)(N)	N(CC)	C(SC[6a]O)(CCC)(CN)	C(CCS)(N)	N(CC)	C(SC[6a]O)(CCC)(CN)	174.0450	0.000	1	174.0450	0.000	1	177.6292	2.218	19	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	S-3:C-3:C-2:	C(CCS)(N)	N(CC)	C(SCo2)(CCS)(CN)	C(CCS)(N)	N(CC)	C(SCo2)(CCS)(CN)	178.5486	0.521	10	178.5486	0.271	10	177.6292	2.218	19	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	S-3:C-3:C-2:	C(CCS)(N)	N(CC)	C(SCu2)(CCS)(CN)	C(CCS)(N)	N(CC)	C(SCu2)(CCS)(CN)	176.6605	0.885	2	176.6605	0.783	2	177.6292	2.218	19	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:3:2:	C-3:N-1:	C-2:	S-3:C-3:C-2:	C(CCS)(N)	N(CC)	C(SMo2)(CCS)(CN)	C(CCS)(N)	N(CC)	C(SMo2)(CCS)(CN)	177.7750	1.746	3	177.7750	3.048	3	177.6292	2.218	19	177.4366	2.254	700	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:4:2:	C-3:N-1:	C-2:	C-3:C-4:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]H)(CBrHH)(CN)	C(CCC)(N)	N(CC)	C(CC[6a]H)(CBrHH)(CN)	177.2010	0.000	1	177.2010	0.000	1	176.5882	2.358	17	176.6047	1.964	36	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:4:2:	C-3:N-1:	C-2:	C-3:C-4:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]H)(CHHN)(CN)	C(CCC)(N)	N(CC)	C(CC[6a]H)(CHHN)(CN)	176.9943	0.081	3	176.9943	0.007	3	176.5882	2.358	17	176.6047	1.964	36	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:4:2:	C-3:N-1:	C-2:	C-3:C-4:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]H)(CHHO)(CN)	C(CCC)(N)	N(CC)	C(CC[6a]H)(CHHO)(CN)	176.4618	0.913	6	176.4618	0.834	6	176.5882	2.358	17	176.6047	1.964	36	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:4:2:	C-3:N-1:	C-2:	C-3:C-4:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]H)(CHHS)(CN)	C(CCC)(N)	N(CC)	C(CC[6a]H)(CHHS)(CN)	178.1085	0.989	2	178.1085	0.979	2	176.5882	2.358	17	176.6047	1.964	36	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:4:2:	C-3:N-1:	C-2:	C-3:C-4:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]I)(CH3)(CN)	C(CCC)(N)	N(CC)	C(CC[6a]I)(CH3)(CN)	176.9650	0.000	1	176.9650	0.000	1	176.5882	2.358	17	176.6047	1.964	36	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:4:2:	C-3:N-1:	C-2:	C-3:C-4:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]N[5a])(CH3)(CN)	C(CCC)(N)	N(CC)	C(CC[6a]N[5a])(CH3)(CN)	173.7470	0.263	2	173.7470	0.069	2	176.5882	2.358	17	176.6047	1.964	36	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:4:2:	C-3:N-1:	C-2:	C-3:C-4:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]S)(CH3)(CN)	C(CCC)(N)	N(CC)	C(CC[6a]S)(CH3)(CN)	177.1845	3.147	2	177.1845	9.906	2	176.5882	2.358	17	176.6047	1.964	36	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:4:2:	C-3:N-1:	C-2:	C-3:Si-4:C-2:	C(CSiC)(N)	N(CC)	C(CC[6a]S)(SiC3)(CN)	C(CSiC)(N)	N(CC)	C(CC[6a]S)(SiC3)(CN)	176.3220	0.000	1	176.3220	0.000	1	176.3220	0.000	1	176.6047	1.964	36	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:4:2:	C-3:N-1:	C-2:	C[5]-3:C-4:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]C[5]2)(CC3)(CN)	C(CC[5]C)(N)	N(CC)	C(C[5]C[5]2)(CC3)(CN)	177.9585	0.551	2	177.9585	0.303	2	177.0405	1.715	4	176.6047	1.964	36	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:4:2:	C-3:N-1:	C-2:	C[5]-3:C-4:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]C[5]2)(CH3)(CN)	C(CC[5]C)(N)	N(CC)	C(C[5]C[5]2)(CH3)(CN)	176.1225	1.213	2	176.1225	1.471	2	177.0405	1.715	4	176.6047	1.964	36	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:4:2:	C-3:N-1:	C-2:	C[5]-3:Si-4:C-2:	C(CC[5]Si)(N)	N(CC)	C(C[5]C[5,5]C[5])(SiC3)(CN)	C(CC[5]Si)(N)	N(CC)	C(C[5]C[5,5]C[5])(SiC3)(CN)	174.8355	0.071	2	174.8355	0.005	2	175.3654	0.702	7	176.6047	1.964	36	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:4:2:	C-3:N-1:	C-2:	C[5]-3:Si-4:C-2:	C(CC[5]Si)(N)	N(CC)	C(C[5]C[5]2)(SiC3)(CN)	C(CC[5]Si)(N)	N(CC)	C(C[5]C[5]2)(SiC3)(CN)	175.5774	0.925	5	175.5774	0.855	5	175.3654	0.702	7	176.6047	1.964	36	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:4:2:	C-3:N-1:	C-2:	C[6]-3:C-4:C-2:	C(CC[6]C)(N)	N(CC)	C(C[6]C[6]S[6])(CH3)(CN)	C(CC[6]C)(N)	N(CC)	C(C[6]C[6]S[6])(CH3)(CN)	177.5040	0.000	1	177.5040	0.000	1	177.5040	0.000	1	176.6047	1.964	36	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:4:2:	C-3:N-1:	C-2:	C[6]-3:Si-4:C-2:	C(CC[6]Si)(N)	N(CC)	C(C[6]C[6]2)(SiC3)(CN)	C(CC[6]Si)(N)	N(CC)	C(C[6]C[6]2)(SiC3)(CN)	177.5870	0.000	1	177.5870	0.000	1	177.1495	0.383	2	176.6047	1.964	36	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:4:2:	C-3:N-1:	C-2:	C[6]-3:Si-4:C-2:	C(CC[6]Si)(N)	N(CC)	C(C[6]Se[6]S[6])(SiC3)(CN)	C(CC[6]Si)(N)	N(CC)	C(C[6]Se[6]S[6])(SiC3)(CN)	176.7120	0.000	1	176.7120	0.000	1	177.1495	0.383	2	176.6047	1.964	36	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:4:2:	C-3:N-1:	C-2:	C[6a]-3:S-4:C-2:	C(CC[6a]S)(N)	N(CC)	C(C[6a]C[6a]2)(SCCO)(CN)	C(CC[6a]S)(N)	N(CC)	C(C[6a]C[6a]2)(SCCO)(CN)	178.1053	0.513	3	178.1053	0.263	3	177.9815	0.237	4	176.6047	1.964	36	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	3:4:2:	C-3:N-1:	C-2:	C[6a]-3:S-4:C-2:	C(CC[6a]S)(N)	N(CC)	C(C[6a]C[6a]N[6a])(SCCO)(CN)	C(CC[6a]S)(N)	N(CC)	C(C[6a]C[6a]N[6a])(SCCO)(CN)	177.6100	0.000	1	177.6100	0.000	1	177.9815	0.237	4	176.6047	1.964	36	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:2:1:	C-3:N-1:	C-2:	C[5]-4:C-2:O-1:	C(CC[5]O)(N)	N(CC)	C(C[5]C[5]2Fe)(CN)(O)	C(CC[5]O)(N)	N(CC)	C(C[5]C[5]2Fe)(CN)(O)	176.3680	0.000	1	176.3680	0.000	1	176.3680	0.000	1	176.3680	0.000	1	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:2:2:	C-3:N-1:	C-2:	C[3]-4:C-2:C-2:	C(CC[3]C)(N)	N(CC)	C(C[3]C[3]2H)(CC)(CN)	C(CC[3]C)(N)	N(CC)	C(C[3]C[3]2H)(CC)(CN)	176.7440	0.000	1	176.7440	0.000	1	176.7440	0.000	1	178.3578	1.069	5	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:2:2:	C-3:N-1:	C-2:	C[6]-4:C-2:C-2:	C(CC[6]C)(N)	N(CC)	C(C[6]C[6,6a]N[6]H)(CN)2	C(CC[6]C)(N)	N(CC)	C(C[6]C[6,6a]N[6]H)(CN)2	178.7613	0.583	4	178.7613	0.340	4	178.7613	0.340	4	178.3578	1.069	5	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:3:2:	C-3:N-1:	C-2:	As-4:C-3:C-2:	C(CAsC)(N)	N(CC)	C(AsC[6a]3)(CCC)(CN)	C(CAsC)(N)	N(CC)	C(AsC[6a]3)(CCC)(CN)	176.9470	0.000	1	176.9470	0.000	1	176.9470	0.000	1	177.2789	2.342	72	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:3:2:	C-3:N-1:	C-2:	C-4:C-3:C-2:	C(CCC)(N)	N(CC)	C(CCHH)(CCH)(CN)	C(CCC)(N)	N(CC)	C(CCHH)(CCH)(CN)	176.9840	0.000	1	176.9840	0.000	1	176.9468	2.706	37	177.2789	2.342	72	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:3:2:	C-3:N-1:	C-2:	C-4:C-3:C-2:	C(CCC)(N)	N(CC)	C(CCHH)(CCS)(CN)	C(CCC)(N)	N(CC)	C(CCHH)(CCS)(CN)	177.0680	0.098	2	177.0680	0.010	2	176.9468	2.706	37	177.2789	2.342	72	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:3:2:	C-3:N-1:	C-2:	C-4:C-3:C-2:	C(CCC)(N)	N(CC)	C(CCHH)(CHH)(CN)	C(CCC)(N)	N(CC)	C(CCHH)(CHH)(CN)	177.4735	1.381	6	177.4735	1.908	6	176.9468	2.706	37	177.2789	2.342	72	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:3:2:	C-3:N-1:	C-2:	C-4:C-3:C-2:	C(CCC)(N)	N(CC)	C(CCHH)(CNO)(CN)	C(CCC)(N)	N(CC)	C(CCHH)(CNO)(CN)	176.4340	0.000	1	176.4340	0.000	1	176.9468	2.706	37	177.2789	2.342	72	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:3:2:	C-3:N-1:	C-2:	C-4:C-3:C-2:	C(CCC)(N)	N(CC)	C(CCHH)(CNS)(CN)	C(CCC)(N)	N(CC)	C(CCHH)(CNS)(CN)	174.7260	0.000	1	174.7260	0.000	1	176.9468	2.706	37	177.2789	2.342	72	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:3:2:	C-3:N-1:	C-2:	C-4:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[4]HO)(CHH)(CN)	C(CCC)(N)	N(CC)	C(CC[4]HO)(CHH)(CN)	176.7670	0.000	1	176.7670	0.000	1	176.9468	2.706	37	177.2789	2.342	72	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:3:2:	C-3:N-1:	C-2:	C-4:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[5]HH)(CC[6a]H)(CN)	C(CCC)(N)	N(CC)	C(CC[5]HH)(CC[6a]H)(CN)	176.5350	1.396	4	176.5350	1.948	4	176.9468	2.706	37	177.2789	2.342	72	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:3:2:	C-3:N-1:	C-2:	C-4:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]C[5]H)(CHH)(CN)	C(CCC)(N)	N(CC)	C(CC[6a]C[5]H)(CHH)(CN)	179.5270	0.000	1	179.5270	0.000	1	176.9468	2.706	37	177.2789	2.342	72	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:3:2:	C-3:N-1:	C-2:	C-4:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]HH)(CC[5a]O)(CN)	C(CCC)(N)	N(CC)	C(CC[6a]HH)(CC[5a]O)(CN)	175.8030	1.230	2	175.8030	1.514	2	176.9468	2.706	37	177.2789	2.342	72	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:3:2:	C-3:N-1:	C-2:	C-4:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]HH)(CC[6a]H)(CN)	C(CCC)(N)	N(CC)	C(CC[6a]HH)(CC[6a]H)(CN)	174.8080	0.000	1	174.8080	0.000	1	176.9468	2.706	37	177.2789	2.342	72	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:3:2:	C-3:N-1:	C-2:	C-4:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]HH)(CC[6a]N)(CN)	C(CCC)(N)	N(CC)	C(CC[6a]HH)(CC[6a]N)(CN)	175.9070	1.690	2	175.9070	2.856	2	176.9468	2.706	37	177.2789	2.342	72	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:3:2:	C-3:N-1:	C-2:	C-4:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]HN)(CC[6a]2)(CN)	C(CCC)(N)	N(CC)	C(CC[6a]HN)(CC[6a]2)(CN)	174.6460	0.000	1	174.6460	0.000	1	176.9468	2.706	37	177.2789	2.342	72	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:3:2:	C-3:N-1:	C-2:	C-4:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]HN)(CHH)(CN)	C(CCC)(N)	N(CC)	C(CC[6a]HN)(CHH)(CN)	174.6050	2.755	2	174.6050	7.589	2	176.9468	2.706	37	177.2789	2.342	72	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:3:2:	C-3:N-1:	C-2:	C-4:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]HO)(CHH)(CN)	C(CCC)(N)	N(CC)	C(CC[6a]HO)(CHH)(CN)	178.0282	1.322	6	178.0282	1.748	6	176.9468	2.706	37	177.2789	2.342	72	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:3:2:	C-3:N-1:	C-2:	C-4:C-3:C-2:	C(CCC)(N)	N(CC)	C(CC[6a]HP)(CC[6a]O)(CN)	C(CCC)(N)	N(CC)	C(CC[6a]HP)(CC[6a]O)(CN)	176.5690	0.178	2	176.5690	0.032	2	176.9468	2.706	37	177.2789	2.342	72	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:3:2:	C-3:N-1:	C-2:	C-4:C-3:C-2:	C(CCC)(N)	N(CC)	C(CH3)(CCH)(CN)	C(CCC)(N)	N(CC)	C(CH3)(CCH)(CN)	177.4060	0.000	1	177.4060	0.000	1	176.9468	2.706	37	177.2789	2.342	72	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:3:2:	C-3:N-1:	C-2:	C-4:C-3:C-2:	C(CCC)(N)	N(CC)	C(CN[5]HH)(CHH)(CN)	C(CCC)(N)	N(CC)	C(CN[5]HH)(CHH)(CN)	178.4175	1.092	2	178.4175	1.194	2	176.9468	2.706	37	177.2789	2.342	72	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:3:2:	C-3:N-1:	C-2:	C-4:C-3:C-2:	C(CCC)(N)	N(CC)	C(CN[6]HH)(CHH)(CN)	C(CCC)(N)	N(CC)	C(CN[6]HH)(CHH)(CN)	179.8440	0.000	1	179.8440	0.000	1	176.9468	2.706	37	177.2789	2.342	72	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:3:2:	C-3:N-1:	C-2:	C[5]-4:C-3:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]C[5,6]C[5]O)(CHH)(CN)	C(CC[5]C)(N)	N(CC)	C(C[5]C[5,6]C[5]O)(CHH)(CN)	178.2970	0.000	1	178.2970	0.000	1	178.8325	0.182	4	177.2789	2.342	72	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:3:2:	C-3:N-1:	C-2:	C[5]-4:C-3:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]C[5,6a]C[5]O)(CHH)(CN)	C(CC[5]C)(N)	N(CC)	C(C[5]C[5,6a]C[5]O)(CHH)(CN)	179.2920	0.000	1	179.2920	0.000	1	178.8325	0.182	4	177.2789	2.342	72	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:3:2:	C-3:N-1:	C-2:	C[5]-4:C-3:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]C[5]2Fe)(CCH)(CN)	C(CC[5]C)(N)	N(CC)	C(C[5]C[5]2Fe)(CCH)(CN)	179.0230	0.000	1	179.0230	0.000	1	178.8325	0.182	4	177.2789	2.342	72	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:3:2:	C-3:N-1:	C-2:	C[5]-4:C-3:C-2:	C(CC[5]C)(N)	N(CC)	C(C[5]C[5]2H)(CCH)(CN)	C(CC[5]C)(N)	N(CC)	C(C[5]C[5]2H)(CCH)(CN)	178.7180	0.000	1	178.7180	0.000	1	178.8325	0.182	4	177.2789	2.342	72	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:3:2:	C-3:N-1:	C-2:	P-4:C-3:C-2:	C(CCP)(N)	N(CC)	C(PC[6a]3)(CCO)(CN)	C(CCP)(N)	N(CC)	C(PC[6a]3)(CCO)(CN)	178.4130	0.000	1	178.4130	0.000	1	178.7870	0.280	2	177.2789	2.342	72	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:3:2:	C-3:N-1:	C-2:	P-4:C-3:C-2:	C(CCP)(N)	N(CC)	C(PC[6a]3)(COO)(CN)	C(CCP)(N)	N(CC)	C(PC[6a]3)(COO)(CN)	179.1610	0.000	1	179.1610	0.000	1	178.7870	0.280	2	177.2789	2.342	72	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:3:2:	C-3:N-1:	C-2:	P-4:P-3:C-2:	C(CPP)(N)	N(CC)	C(PC[6a]3)(PCC)(CN)	C(CPP)(N)	N(CC)	C(PC[6a]3)(PCC)(CN)	177.8204	0.662	8	177.8204	0.439	8	177.9780	0.420	12	177.2789	2.342	72	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:3:2:	C-3:N-1:	C-2:	P-4:P-3:C-2:	C(CPP)(N)	N(CC)	C(PC[6a]3)(PC[6a]C)(CN)	C(CPP)(N)	N(CC)	C(PC[6a]3)(PC[6a]C)(CN)	178.2933	0.563	4	178.2933	0.317	4	177.9780	0.420	12	177.2789	2.342	72	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:3:2:	C-3:N-1:	C-2:	S-4:C-3:C-2:	C(CCS)(N)	N(CC)	C(SCOO)(CHN)(CN)	C(CCS)(N)	N(CC)	C(SCOO)(CHN)(CN)	173.4060	0.000	1	173.4060	0.000	1	176.8869	2.578	15	177.2789	2.342	72	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:3:2:	C-3:N-1:	C-2:	S-4:C-3:C-2:	C(CCS)(N)	N(CC)	C(SC[6a]OO)(CHO)(CN)	C(CCS)(N)	N(CC)	C(SC[6a]OO)(CHO)(CN)	179.0700	0.000	1	179.0700	0.000	1	176.8869	2.578	15	177.2789	2.342	72	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:3:2:	C-3:N-1:	C-2:	S-4:C-3:C-2:	C(CCS)(N)	N(CC)	C(SC[6a]OO)(CNS)(CN)	C(CCS)(N)	N(CC)	C(SC[6a]OO)(CNS)(CN)	176.9868	1.261	13	176.9868	1.590	13	176.8869	2.578	15	177.2789	2.342	72	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:3:2:	C-3:N-1:	C-2:	Si-4:C[5]-3:C-2:	C(CC[5]Si)(N)	N(CC)	C(SiC[6a]2C)(C[5]C[5]2)(CN)	C(CC[5]Si)(N)	N(CC)	C(SiC[6a]2C)(C[5]C[5]2)(CN)	178.1610	0.000	1	178.1610	0.000	1	178.1610	0.000	1	177.2789	2.342	72	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:4:2:	C-3:N-1:	C-2:	As-4:As-4:C-2:	C(CAs2)(N)	N(CC)	C(AsC[6a]3)2(CN)	C(CAs2)(N)	N(CC)	C(AsC[6a]3)2(CN)	178.1165	1.747	2	178.1165	3.053	2	178.1165	3.053	2	178.3040	0.653	8	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:4:2:	C-3:N-1:	C-2:	P-4:P-4:C-2:	C(CPP)(N)	N(CC)	C(PC[6]AuC)(PC[6a]3)(CN)	C(CPP)(N)	N(CC)	C(PC[6]AuC)(PC[6a]3)(CN)	178.0515	0.295	2	178.0515	0.087	2	178.3665	0.285	6	178.3040	0.653	8	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:4:2:	C-3:N-1:	C-2:	P-4:P-4:C-2:	C(CPP)(N)	N(CC)	C(PC[6a]3)(PAuCC)(CN)	C(CPP)(N)	N(CC)	C(PC[6a]3)(PAuCC)(CN)	178.6787	0.613	3	178.6787	0.376	3	178.3665	0.285	6	178.3040	0.653	8	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	4:4:2:	C-3:N-1:	C-2:	P-4:P-4:C-2:	C(CPP)(N)	N(CC)	C(PC[6a]HW)(PC[6a]3)(CN)	C(CPP)(N)	N(CC)	C(PC[6a]HW)(PC[6a]3)(CN)	178.0600	0.000	1	178.0600	0.000	1	178.3665	0.285	6	178.3040	0.653	8	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	5:5:2:	C-3:N-1:	C-2:	P[6]-5:P[6]-5:C-2:	C(CP[6]2)(N)	N(CC)	C(P[6]O[6]2DyO)2(CN)	C(CP[6]2)(N)	N(CC)	C(P[6]O[6]2DyO)2(CN)	178.7517	0.616	3	178.7517	0.379	3	178.4858	1.149	24	178.4858	1.149	24	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	5:5:2:	C-3:N-1:	C-2:	P[6]-5:P[6]-5:C-2:	C(CP[6]2)(N)	N(CC)	C(P[6]O[6]2ErO)2(CN)	C(CP[6]2)(N)	N(CC)	C(P[6]O[6]2ErO)2(CN)	176.9160	1.514	3	176.9160	2.293	3	178.4858	1.149	24	178.4858	1.149	24	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	5:5:2:	C-3:N-1:	C-2:	P[6]-5:P[6]-5:C-2:	C(CP[6]2)(N)	N(CC)	C(P[6]O[6]2GdO)2(CN)	C(CP[6]2)(N)	N(CC)	C(P[6]O[6]2GdO)2(CN)	178.1797	0.910	3	178.1797	0.828	3	178.4858	1.149	24	178.4858	1.149	24	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	5:5:2:	C-3:N-1:	C-2:	P[6]-5:P[6]-5:C-2:	C(CP[6]2)(N)	N(CC)	C(P[6]O[6]2HoO)2(CN)	C(CP[6]2)(N)	N(CC)	C(P[6]O[6]2HoO)2(CN)	178.7383	1.035	3	178.7383	1.072	3	178.4858	1.149	24	178.4858	1.149	24	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	5:5:2:	C-3:N-1:	C-2:	P[6]-5:P[6]-5:C-2:	C(CP[6]2)(N)	N(CC)	C(P[6]O[6]2LaO)2(CN)	C(CP[6]2)(N)	N(CC)	C(P[6]O[6]2LaO)2(CN)	179.0067	0.923	3	179.0067	0.853	3	178.4858	1.149	24	178.4858	1.149	24	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	5:5:2:	C-3:N-1:	C-2:	P[6]-5:P[6]-5:C-2:	C(CP[6]2)(N)	N(CC)	C(P[6]O[6]2NdO)2(CN)	C(CP[6]2)(N)	N(CC)	C(P[6]O[6]2NdO)2(CN)	178.2460	0.761	3	178.2460	0.579	3	178.4858	1.149	24	178.4858	1.149	24	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	5:5:2:	C-3:N-1:	C-2:	P[6]-5:P[6]-5:C-2:	C(CP[6]2)(N)	N(CC)	C(P[6]O[6]2PrO)2(CN)	C(CP[6]2)(N)	N(CC)	C(P[6]O[6]2PrO)2(CN)	178.7193	1.100	3	178.7193	1.211	3	178.4858	1.149	24	178.4858	1.149	24	177.6322	4.160	4743	177.6322	4.160	4743
983	901	930	0:SP1_SP1_SP2	C	N	C	3:1:	2:	5:5:2:	C-3:N-1:	C-2:	P[6]-5:P[6]-5:C-2:	C(CP[6]2)(N)	N(CC)	C(P[6]O[6]2TbO)2(CN)	C(CP[6]2)(N)	N(CC)	C(P[6]O[6]2TbO)2(CN)	179.3283	0.562	3	179.3283	0.316	3	178.4858	1.149	24	178.4858	1.149	24	177.6322	4.160	4743	177.6322	4.160	4743
983	901	941	0:SP1_SP1_SP2	C	N	N	2:1:	2:	2:2:	N-2:N-1:	C-2:	C-2:C-2:	C(NC)(N)	N(CN)	N(CN)2	C(NC)(N)	N(CN)	N(CN)2	173.1588	2.054	133	173.1588	4.218	133	173.1588	4.218	133	173.1588	4.218	133	173.3421	3.334	208	173.3421	3.334	208
983	901	941	0:SP1_SP1_SP2	C	N	N	2:1:	2:	3:2:	N-2:N-1:	C-2:	C-3:C-2:	C(NC)(N)	N(CN)	N(CCN)(CN)	C(NC)(N)	N(CN)	N(CCN)(CN)	172.9550	1.134	2	172.9550	1.286	2	173.6686	0.956	19	173.5413	1.173	68	173.3421	3.334	208	173.3421	3.334	208
983	901	941	0:SP1_SP1_SP2	C	N	N	2:1:	2:	3:2:	N-2:N-1:	C-2:	C-3:C-2:	C(NC)(N)	N(CN)	N(CC[6a]O)(CN)	C(NC)(N)	N(CN)	N(CC[6a]O)(CN)	174.9030	0.000	1	174.9030	0.000	1	173.6686	0.956	19	173.5413	1.173	68	173.3421	3.334	208	173.3421	3.334	208
983	901	941	0:SP1_SP1_SP2	C	N	N	2:1:	2:	3:2:	N-2:N-1:	C-2:	C-3:C-2:	C(NC)(N)	N(CN)	N(CNN)(CN)	C(NC)(N)	N(CN)	N(CNN)(CN)	173.1280	0.640	7	173.1280	0.410	7	173.6686	0.956	19	173.5413	1.173	68	173.3421	3.334	208	173.3421	3.334	208
983	901	941	0:SP1_SP1_SP2	C	N	N	2:1:	2:	3:2:	N-2:N-1:	C-2:	C-3:C-2:	C(NC)(N)	N(CN)	N(CNO)(CN)	C(NC)(N)	N(CN)	N(CNO)(CN)	174.0053	1.437	3	174.0053	2.066	3	173.6686	0.956	19	173.5413	1.173	68	173.3421	3.334	208	173.3421	3.334	208
983	901	941	0:SP1_SP1_SP2	C	N	N	2:1:	2:	3:2:	N-2:N-1:	C-2:	C-3:C-2:	C(NC)(N)	N(CN)	N(CNS)(CN)	C(NC)(N)	N(CN)	N(CNS)(CN)	174.1153	1.025	3	174.1153	1.051	3	173.6686	0.956	19	173.5413	1.173	68	173.3421	3.334	208	173.3421	3.334	208
983	901	941	0:SP1_SP1_SP2	C	N	N	2:1:	2:	3:2:	N-2:N-1:	C-2:	C-3:C-2:	C(NC)(N)	N(CN)	N(CN[5]N)(CN)	C(NC)(N)	N(CN)	N(CN[5]N)(CN)	174.6120	0.000	1	174.6120	0.000	1	173.6686	0.956	19	173.5413	1.173	68	173.3421	3.334	208	173.3421	3.334	208
983	901	941	0:SP1_SP1_SP2	C	N	N	2:1:	2:	3:2:	N-2:N-1:	C-2:	C-3:C-2:	C(NC)(N)	N(CN)	N(CN[5a]N)(CN)	C(NC)(N)	N(CN)	N(CN[5a]N)(CN)	174.5520	0.000	1	174.5520	0.000	1	173.6686	0.956	19	173.5413	1.173	68	173.3421	3.334	208	173.3421	3.334	208
983	901	941	0:SP1_SP1_SP2	C	N	N	2:1:	2:	3:2:	N-2:N-1:	C-2:	C-3:C-2:	C(NC)(N)	N(CN)	N(CN[6]S)(CN)	C(NC)(N)	N(CN)	N(CN[6]S)(CN)	173.4690	0.000	1	173.4690	0.000	1	173.6686	0.956	19	173.5413	1.173	68	173.3421	3.334	208	173.3421	3.334	208
983	901	941	0:SP1_SP1_SP2	C	N	N	2:1:	2:	3:2:	N-2:N-1:	C-2:	C[4a]-3:C-2:	C(NC[4a])(N)	N(CN)	N(C[4a]C[4a]2)(CN)	C(NC[4a])(N)	N(CN)	N(C[4a]C[4a]2)(CN)	173.1225	0.449	2	173.1225	0.202	2	173.1225	0.202	2	173.5413	1.173	68	173.3421	3.334	208	173.3421	3.334	208
983	901	941	0:SP1_SP1_SP2	C	N	N	2:1:	2:	3:2:	N-2:N-1:	C-2:	C[5]-3:C-2:	C(NC[5])(N)	N(CN)	N(C[5]C[5,5a]C[5,6a])(CN)	C(NC[5])(N)	N(CN)	N(C[5]C[5,5a]C[5,6a])(CN)	174.3730	0.000	1	174.3730	0.000	1	173.9645	1.000	15	173.5413	1.173	68	173.3421	3.334	208	173.3421	3.334	208
983	901	941	0:SP1_SP1_SP2	C	N	N	2:1:	2:	3:2:	N-2:N-1:	C-2:	C[5]-3:C-2:	C(NC[5])(N)	N(CN)	N(C[5]N[5]S[5])(CN)	C(NC[5])(N)	N(CN)	N(C[5]N[5]S[5])(CN)	173.9353	1.031	14	173.9353	1.064	14	173.9645	1.000	15	173.5413	1.173	68	173.3421	3.334	208	173.3421	3.334	208
983	901	941	0:SP1_SP1_SP2	C	N	N	2:1:	2:	3:2:	N-2:N-1:	C-2:	C[5a]-3:C-2:	C(NC[5a])(N)	N(CN)	N(C[5a]C[5a,5a]C[5a,6a])(CN)	C(NC[5a])(N)	N(CN)	N(C[5a]C[5a,5a]C[5a,6a])(CN)	172.3930	0.000	1	172.3930	0.000	1	172.6465	0.129	2	173.5413	1.173	68	173.3421	3.334	208	173.3421	3.334	208
983	901	941	0:SP1_SP1_SP2	C	N	N	2:1:	2:	3:2:	N-2:N-1:	C-2:	C[5a]-3:C-2:	C(NC[5a])(N)	N(CN)	N(C[5a]C[5a,5a]N[5a])(CN)	C(NC[5a])(N)	N(CN)	N(C[5a]C[5a,5a]N[5a])(CN)	172.9000	0.000	1	172.9000	0.000	1	172.6465	0.129	2	173.5413	1.173	68	173.3421	3.334	208	173.3421	3.334	208
983	901	941	0:SP1_SP1_SP2	C	N	N	2:1:	2:	3:2:	N-2:N-1:	C-2:	C[6]-3:C-2:	C(NC[6])(N)	N(CN)	N(C[6]N[6]2)(CN)	C(NC[6])(N)	N(CN)	N(C[6]N[6]2)(CN)	174.0892	1.187	6	174.0892	1.410	6	174.0937	1.175	7	173.5413	1.173	68	173.3421	3.334	208	173.3421	3.334	208
983	901	941	0:SP1_SP1_SP2	C	N	N	2:1:	2:	3:2:	N-2:N-1:	C-2:	C[6]-3:C-2:	C(NC[6])(N)	N(CN)	N(C[6]N[6]S[6])(CN)	C(NC[6])(N)	N(CN)	N(C[6]N[6]S[6])(CN)	174.1210	0.000	1	174.1210	0.000	1	174.0937	1.175	7	173.5413	1.173	68	173.3421	3.334	208	173.3421	3.334	208
983	901	941	0:SP1_SP1_SP2	C	N	N	2:1:	2:	3:2:	N-2:N-1:	C-2:	C[6a]-3:C-2:	C(NC[6a])(N)	N(CN)	N(C[6a]C[5,6a]C[6a])(CN)	C(NC[6a])(N)	N(CN)	N(C[6a]C[5,6a]C[6a])(CN)	171.2800	0.000	1	171.2800	0.000	1	173.2309	2.096	12	173.5413	1.173	68	173.3421	3.334	208	173.3421	3.334	208
983	901	941	0:SP1_SP1_SP2	C	N	N	2:1:	2:	3:2:	N-2:N-1:	C-2:	C[6a]-3:C-2:	C(NC[6a])(N)	N(CN)	N(C[6a]C[6a]2)(CN)	C(NC[6a])(N)	N(CN)	N(C[6a]C[6a]2)(CN)	173.6940	1.497	8	173.6940	2.240	8	173.2309	2.096	12	173.5413	1.173	68	173.3421	3.334	208	173.3421	3.334	208
983	901	941	0:SP1_SP1_SP2	C	N	N	2:1:	2:	3:2:	N-2:N-1:	C-2:	C[6a]-3:C-2:	C(NC[6a])(N)	N(CN)	N(C[6a]N[6a]2)(CN)	C(NC[6a])(N)	N(CN)	N(C[6a]N[6a]2)(CN)	172.6463	0.643	3	172.6463	0.414	3	173.2309	2.096	12	173.5413	1.173	68	173.3421	3.334	208	173.3421	3.334	208
983	901	941	0:SP1_SP1_SP2	C	N	N	2:1:	2:	3:2:	N-2:N-1:	C-2:	N-3:C-2:	C(NN)(N)	N(CN)	N(NOO)(CN)	C(NN)(N)	N(CN)	N(NOO)(CN)	172.0123	0.779	3	172.0123	0.607	3	172.0123	0.607	3	173.5413	1.173	68	173.3421	3.334	208	173.3421	3.334	208
983	901	941	0:SP1_SP1_SP2	C	N	N	2:1:	2:	3:2:	N-2:N-1:	C-2:	S-3:C-2:	C(NS)(N)	N(CN)	N(SC[6a]C)(CN)	C(NS)(N)	N(CN)	N(SC[6a]C)(CN)	173.3293	0.104	8	173.3293	0.011	8	173.3293	0.011	8	173.5413	1.173	68	173.3421	3.334	208	173.3421	3.334	208
983	901	941	0:SP1_SP1_SP2	C	N	N	2:1:	2:	4:2:	N-2:N-1:	C-2:	C[6]-4:C-2:	C(NC[6])(N)	N(CN)	N(C[6]C[6]2Ru)(CN)	C(NC[6])(N)	N(CN)	N(C[6]C[6]2Ru)(CN)	169.9720	0.000	1	169.9720	0.000	1	169.9720	0.000	1	174.8883	5.160	7	173.3421	3.334	208	173.3421	3.334	208
983	901	941	0:SP1_SP1_SP2	C	N	N	2:1:	2:	4:2:	N-2:N-1:	C-2:	P-4:C-2:	C(NP)(N)	N(CN)	N(PC[6a]C[6]N)(CN)	C(NP)(N)	N(CN)	N(PC[6a]C[6]N)(CN)	174.6410	0.000	1	174.6410	0.000	1	174.6410	0.000	1	174.8883	5.160	7	173.3421	3.334	208	173.3421	3.334	208
983	901	941	0:SP1_SP1_SP2	C	N	N	2:1:	2:	4:2:	N-2:N-1:	C-2:	S-4:C-2:	C(NS)(N)	N(CN)	N(SCOO)(CN)	C(NS)(N)	N(CN)	N(SCOO)(CN)	174.8650	0.000	1	174.8650	0.000	1	175.9210	0.348	5	174.8883	5.160	7	173.3421	3.334	208	173.3421	3.334	208
983	901	941	0:SP1_SP1_SP2	C	N	N	2:1:	2:	4:2:	N-2:N-1:	C-2:	S-4:C-2:	C(NS)(N)	N(CN)	N(SC[6a]CO)(CN)	C(NS)(N)	N(CN)	N(SC[6a]CO)(CN)	176.1850	0.000	4	176.1850	0.000	4	175.9210	0.348	5	174.8883	5.160	7	173.3421	3.334	208	173.3421	3.334	208
983	901	945	0:SP1_SP1_SP3	C	N	P	3:1:	2:	2:2:2:	P-3:N-1:	C-2:	O-2:O-2:C-2:	C(POO)(N)	N(CP)	P(OC[5,6])2(CN)	C(POO)(N)	N(CP)	P(OC[5,6])2(CN)	165.7890	0.000	1	165.7890	0.000	1	165.7890	0.000	1	165.7890	0.000	1	165.7890	0.000	1	165.7890	0.000	1
983	901	951	0:SP1_SP-NON_SP1	C	N	H	1:1:	2:	2:	H-1:N-1:	C-2:	C-2:	C(H)(N)	N(CH)	H(CN)	C(H)(N)	N(CH)	H(CN)	176.5445	0.111	2	176.5445	0.012	2	176.5445	0.012	2	176.5445	0.012	2	176.5445	0.012	2	176.5445	0.012	2
983	901	952	0:SP1_SP1_SP3	C	N	S	4:1:	2:	3:2:1:1:	S-4:N-1:	C-2:	C[6a]-3:C-2:O-1:O-1:	C(SC[6a]OO)(N)	N(CS)	S(C[6a]C[6a]2)(CN)(O)2	C(SC[6a]OO)(N)	N(CS)	S(C[6a]C[6a]2)(CN)(O)2	177.1090	0.000	1	177.1090	0.000	1	177.1090	0.000	1	177.1090	0.000	1	177.1090	0.000	1	177.1090	0.000	1
983	901	956	0:SP1_SP1_SP2	C	N	N	3:1:	2:	3:2:1:	N-3:N-1:	C-2:	C-3:C-2:H-1:	C(NCH)(N)	N(CN)	N(CNO)(CN)(H)	C(NCH)(N)	N(CN)	N(CNO)(CN)(H)	178.6860	0.000	1	178.6860	0.000	1	178.6860	0.000	1	179.2410	0.616	2	178.5370	1.183	6	178.5370	1.183	6
983	901	956	0:SP1_SP1_SP2	C	N	N	3:1:	2:	3:2:1:	N-3:N-1:	C-2:	C[6a]-3:C-2:H-1:	C(NC[6a]H)(N)	N(CN)	N(C[6a]C[6a]2)(CN)(H)	C(NC[6a]H)(N)	N(CN)	N(C[6a]C[6a]2)(CN)(H)	179.7960	0.000	1	179.7960	0.000	1	179.7960	0.000	1	179.2410	0.616	2	178.5370	1.183	6	178.5370	1.183	6
983	901	956	0:SP1_SP1_SP2	C	N	N	3:1:	2:	3:3:2:	N-3:N-1:	C-2:	C[6a]-3:C-3:C-2:	C(NC[6a]C)(N)	N(CN)	N(C[6a]C[6a]2)(CC[6a]C)(CN)	C(NC[6a]C)(N)	N(CN)	N(C[6a]C[6a]2)(CC[6a]C)(CN)	178.6870	0.000	1	178.6870	0.000	1	178.6870	0.000	1	178.6870	0.000	1	178.5370	1.183	6	178.5370	1.183	6
983	901	956	0:SP1_SP1_SP2	C	N	N	3:1:	2:	3:4:2:	N-3:N-1:	C-2:	C[6a]-3:C-4:C-2:	C(NC[6a]C)(N)	N(CN)	N(C[6a]C[6a,6a]N[6a])(CC[6a]HH)(CN)	C(NC[6a]C)(N)	N(CN)	N(C[6a]C[6a,6a]N[6a])(CC[6a]HH)(CN)	176.9710	0.000	1	176.9710	0.000	1	178.0177	1.737	3	178.0177	1.737	3	178.5370	1.183	6	178.5370	1.183	6
983	901	956	0:SP1_SP1_SP2	C	N	N	3:1:	2:	3:4:2:	N-3:N-1:	C-2:	C[6a]-3:C-4:C-2:	C(NC[6a]C)(N)	N(CN)	N(C[6a]C[6a]2)(CCHH)(CN)	C(NC[6a]C)(N)	N(CN)	N(C[6a]C[6a]2)(CCHH)(CN)	177.5840	0.000	1	177.5840	0.000	1	178.0177	1.737	3	178.0177	1.737	3	178.5370	1.183	6	178.5370	1.183	6
983	901	956	0:SP1_SP1_SP2	C	N	N	3:1:	2:	3:4:2:	N-3:N-1:	C-2:	C[6a]-3:C-4:C-2:	C(NC[6a]C)(N)	N(CN)	N(C[6a]C[6a]2)(CH3)(CN)	C(NC[6a]C)(N)	N(CN)	N(C[6a]C[6a]2)(CH3)(CN)	179.4980	0.000	1	179.4980	0.000	1	178.0177	1.737	3	178.0177	1.737	3	178.5370	1.183	6	178.5370	1.183	6
983	901	956	0:SP1_SP1_SP3	C	N	N	3:1:	2:	4:2:1:	N-3:N-1:	C-2:	S-4:C-2:H-1:	C(NHS)(N)	N(CN)	N(SC[6a]CO)(CN)(H)	C(NHS)(N)	N(CN)	N(SC[6a]CO)(CN)(H)	176.9800	0.000	2	176.9800	0.000	2	176.9800	0.000	2	176.9800	0.000	2	177.0566	0.718	5	177.0566	0.718	5
983	901	956	0:SP1_SP1_SP3	C	N	N	3:1:	2:	4:4:2:	N-3:N-1:	C-2:	C-4:C-4:C-2:	C(NCC)(N)	N(CN)	N(CC[6a]HH)2(CN)	C(NCC)(N)	N(CN)	N(CC[6a]HH)2(CN)	177.6790	0.946	2	177.6790	0.895	2	177.1077	1.427	3	177.1077	1.427	3	177.0566	0.718	5	177.0566	0.718	5
983	901	956	0:SP1_SP1_SP3	C	N	N	3:1:	2:	4:4:2:	N-3:N-1:	C-2:	C-4:C-4:C-2:	C(NCC)(N)	N(CN)	N(CH3)2(CN)	C(NCC)(N)	N(CN)	N(CH3)2(CN)	175.9650	0.000	1	175.9650	0.000	1	177.1077	1.427	3	177.1077	1.427	3	177.0566	0.718	5	177.0566	0.718	5
983	901	964	0:SP1_SP1_SPD6	C	N	Si[4,4]	6:1:	2:	3:3:3:3:2:2:	Si[4,4]-6:N-1:	C-2:	N[4]-3:N[4]-3:N[4]-3:N[4]-3:C-2:C-2:	C(Si[4,4]N[4]4C)(N)	N(CSi[4,4])	Si[4,4](N[4]C[4]C)4(CN)2	C(Si[4,4]N[4]4C)(N)	N(CSi[4,4])	Si[4,4](N[4]C[4]C)4(CN)2{2|C<3>}	177.2075	0.040	2	177.2075	0.002	2	177.2075	0.002	2	177.2075	0.002	2	177.2075	0.002	2	177.2075	0.002	2
983	901	977	0:SP1_SP-NON_SP1	C	N	S	1:1:	2:	2:	N-1:S-1:	C-2:	C-2:	C(N)(S)	N(CS)	S(CN)	C(N)(S)	N(CS)	S(CN)	177.7040	4.788	203	177.7040	22.923	203	177.7040	22.923	203	177.7040	22.923	203	177.7040	22.923	203	177.7040	22.923	203
983	901	979	0:SP1_SP1_SP2	C	N	Si	3:1:	2:	3:4:2:	Si-3:N-1:	C-2:	Si-3:Si-4:C-2:	C(SiSi2)(N)	N(CSi)	Si(SiSiC)(SiC3)(CN)	C(SiSi2)(N)	N(CSi)	Si(SiSiC)(SiC3)(CN)	178.5770	0.000	1	178.5770	0.000	1	178.5770	0.000	1	178.5770	0.000	1	178.5770	0.000	1	178.5770	0.000	1
983	901	982	0:SP1_SP1_SPD5	C	N	Ge[3,3]	5:1:	2:	3:3:4:4:2:	Ge[3,3]-5:N-1:	C-2:	N[3]-3:N[3]-3:B[3,3]-4:C-4:C-2:	C(Ge[3,3]B[3,3]N[3]2C)(N)	N(CGe[3,3])	Ge[3,3](N[3]B[3,3]C[6a])2(B[3,3]N[3]2N)(CC3)(CN)	C(Ge[3,3]B[3,3]N[3]2C)(N)	N(CGe[3,3])	Ge[3,3](N[3]B[3,3]C[6a])2(B[3,3]N[3]2N)(CC3)(CN){4|C<3>}	175.1440	0.000	1	175.1440	0.000	1	175.1440	0.000	1	175.1440	0.000	1	175.1440	0.000	1	175.1440	0.000	1
983	901	983	0:SP1_SP1_SP1	C	N	C	2:1:	2:	2:1:	C-2:N-1:	C-2:	C-2:C-1:	C(CC)(N)	N(CC)	C(CN)(C)	C(CC)(N)	N(CC)	C(CN)(C)	62.9537	0.000	1	62.9537	0.000	1	62.9537	0.000	1	120.4225	1314.605	21	124.6211	898.576	78	124.6211	898.576	78
983	901	983	0:SP1_SP1_SP1	C	N	C	2:1:	2:	2:1:	C-2:N-1:	C-2:	C-2:Cl-1:	C(CCl)(N)	N(CC)	C(CN)(Cl)	C(CCl)(N)	N(CC)	C(CN)(Cl)	111.6877	0.808	3	111.6877	0.654	3	111.6877	0.654	3	120.4225	1314.605	21	124.6211	898.576	78	124.6211	898.576	78
983	901	983	0:SP1_SP1_SP1	C	N	C	2:1:	2:	2:1:	C-2:N-1:	C-2:	C-2:H-1:	C(CH)(N)	N(CC)	C(CN)(H)	C(CH)(N)	N(CC)	C(CN)(H)	178.5885	1.318	4	178.5885	1.738	4	178.5885	1.738	4	120.4225	1314.605	21	124.6211	898.576	78	124.6211	898.576	78
983	901	983	0:SP1_SP1_SP1	C	N	C	2:1:	2:	2:1:	C-2:N-1:	C-2:	C-2:N-1:	C(CN)(N)	N(CC)	C(CN)(N)	C(CN)(N)	N(CC)	C(CN)(N)	115.6688	6.712	12	115.6688	45.048	12	115.6688	45.048	12	120.4225	1314.605	21	124.6211	898.576	78	124.6211	898.576	78
983	901	983	0:SP1_SP1_SP1	C	N	C	2:1:	2:	2:1:	C-2:N-1:	C-2:	C-2:O-1:	C(CO)(N)	N(CC)	C(CN)(O)	C(CO)(N)	N(CC)	C(CN)(O)	28.4758	0.000	1	28.4758	0.000	1	28.4758	0.000	1	120.4225	1314.605	21	124.6211	898.576	78	124.6211	898.576	78
983	901	983	0:SP1_SP1_SP1	C	N	C	2:1:	2:	2:2:	C-2:N-1:	C-2:	C-2:C-2:	C(CC)(N)	N(CC)	C(CBr)(CN)	C(CC)(N)	N(CC)	C(CBr)(CN)	179.7210	0.000	1	179.7210	0.000	1	122.8423	611.726	39	120.9240	528.133	47	124.6211	898.576	78	124.6211	898.576	78
983	901	983	0:SP1_SP1_SP1	C	N	C	2:1:	2:	2:2:	C-2:N-1:	C-2:	C-2:C-2:	C(CC)(N)	N(CC)	C(CC)(CN)	C(CC)(N)	N(CC)	C(CC)(CN)	124.5355	25.282	24	124.5355	639.197	24	122.8423	611.726	39	120.9240	528.133	47	124.6211	898.576	78	124.6211	898.576	78
983	901	983	0:SP1_SP1_SP1	C	N	C	2:1:	2:	2:2:	C-2:N-1:	C-2:	C-2:C-2:	C(CC)(N)	N(CC)	C(CC[6a])(CN)	C(CC)(N)	N(CC)	C(CC[6a])(CN)	179.4940	0.000	1	179.4940	0.000	1	122.8423	611.726	39	120.9240	528.133	47	124.6211	898.576	78	124.6211	898.576	78
983	901	983	0:SP1_SP1_SP1	C	N	C	2:1:	2:	2:2:	C-2:N-1:	C-2:	C-2:C-2:	C(CC)(N)	N(CC)	C(CN)2	C(CC)(N)	N(CC)	C(CN)2	110.9835	4.107	13	110.9835	16.869	13	122.8423	611.726	39	120.9240	528.133	47	124.6211	898.576	78	124.6211	898.576	78
983	901	983	0:SP1_SP1_SP1	C	N	C	2:1:	2:	2:2:	C-2:N-1:	C-2:	C-2:N-2:	C(CN)(N)	N(CC)	C(CN)(NC)	C(CN)(N)	N(CC)	C(CN)(NC)	111.5720	5.416	8	111.5720	29.336	8	111.5720	29.336	8	120.9240	528.133	47	124.6211	898.576	78	124.6211	898.576	78
983	901	983	0:SP1_SP1_SP1	C	N	C	2:1:	2:	3:2:	C-2:N-1:	C-2:	C-3:C-2:	C(CC)(N)	N(CC)	C(CC[6]Br)(CN)	C(CC)(N)	N(CC)	C(CC[6]Br)(CN)	175.4170	1.863	2	175.4170	3.469	2	175.4170	3.469	2	150.8143	1192.299	10	124.6211	898.576	78	124.6211	898.576	78
983	901	983	0:SP1_SP1_SP1	C	N	C	2:1:	2:	3:2:	C-2:N-1:	C-2:	C[6a]-3:C-2:	C(CC[6a])(N)	N(CC)	C(C[6a]C[6a]2)(CN)	C(CC[6a])(N)	N(CC)	C(C[6a]C[6a]2)(CN)	178.5877	1.031	4	178.5877	1.063	4	178.5877	1.063	4	150.8143	1192.299	10	124.6211	898.576	78	124.6211	898.576	78
983	901	983	0:SP1_SP1_SP1	C	N	C	2:1:	2:	3:2:	C-2:N-1:	C-2:	N-3:C-2:	C(CN)(N)	N(CC)	C(NCC)(CN)	C(CN)(N)	N(CC)	C(NCC)(CN)	110.7395	1.159	4	110.7395	1.343	4	110.7395	1.343	4	150.8143	1192.299	10	124.6211	898.576	78	124.6211	898.576	78
983	901	984	0:SP1_SP-NON_SP1	C	N	Ga	4:1:	2:	3:2:2:2:	Ga-4:N-1:	C-2:	C[6a]-3:C-2:C-2:C-2:	C(GaC[6a]CC)(N)	N(CGa)	Ga(C[6a]C[6a]2)(CN)3	C(GaC[6a]CC)(N)	N(CGa)	Ga(C[6a]C[6a]2)(CN)3	177.2177	1.132	3	177.2177	1.281	3	177.2177	1.281	3	177.2177	1.281	3	177.2177	1.281	3	177.2177	1.281	3
983	901	992	0:SP1_SP1_SP3	C	N	P	4:1:	2:	2:3:2:1:	P-4:N-1:	C-2:	O-2:N-3:C-2:O-1:	C(PNOO)(N)	N(CP)	P(OC[6a])(NCC)(CN)(O)	C(PNOO)(N)	N(CP)	P(OC[6a])(NCC)(CN)(O)	175.4220	0.000	1	175.4220	0.000	1	175.4220	0.000	1	175.4220	0.000	1	175.7590	9.327	4	175.7590	9.327	4
983	901	992	0:SP1_SP1_SP3	C	N	P	4:1:	2:	3:3:3:2:	P-4:N-1:	C-2:	C[6a]-3:C[6a]-3:C-3:C-2:	C(PC[6a]2C)(N)	N(CP)	P(C[6a]C[6a]2)2(CPP)(CN)	C(PC[6a]2C)(N)	N(CP)	P(C[6a]C[6a]2)2(CPP)(CN)	171.8480	0.000	1	171.8480	0.000	1	171.8480	0.000	1	175.8713	13.915	3	175.7590	9.327	4	175.7590	9.327	4
983	901	992	0:SP1_SP1_SP3	C	N	P	4:1:	2:	3:3:3:2:	P-4:N-1:	C-2:	N-3:N-3:N-3:C-2:	C(PN3)(N)	N(CP)	P(NCC)3(CN)	C(PN3)(N)	N(CP)	P(NCC)3(CN)	177.8830	1.884	2	177.8830	3.548	2	177.8830	3.548	2	175.8713	13.915	3	175.7590	9.327	4	175.7590	9.327	4
983	902	930	0:SP1_SP2_SP2	C	C[3]	C	3:3:	4:4:2:	2:1:1:	C[3]-3:C-3:	C[3,6]-4:C[3,6]-4:C-2:	C-2:H-1:H-1:	C(C[3]C[3,6]2)(CHH)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(CC)	C(CC[3])(H)2	C(C[3]C[3,6]2)(CHH)	C[3](C[3,6]C[3,6]C[6]C)(C[3,6]C[3,6]C[6]H)(CC){1|N<2>,2|C<4>,2|H<1>}	C(CC[3])(H)2	178.4330	0.000	1	178.4330	0.000	1	178.4330	0.000	1	178.4330	0.000	1	178.1616	0.568	5	178.1616	0.568	5
983	902	930	0:SP1_SP2_SP2	C	C[3]	C	3:3:	4:4:2:	3:3:2:	C[3]-3:C-3:	C[3]-4:C[3]-4:C-2:	C[6a]-3:C[6a]-3:C-2:	C(C[3]C[3]2)(CC[6a]2)	C[3](C[3]C[3]CC)2(CC)	C(C[6a]C[6a]2)2(CC[3])	C(C[3]C[3]2)(CC[6a]2)	C[3](C[3]C[3]CC)2(CC)	C(C[6a]C[6a]2)2(CC[3])	177.3960	0.296	2	177.3960	0.087	2	178.0938	0.727	4	178.0938	0.727	4	178.1616	0.568	5	178.1616	0.568	5
983	902	930	0:SP1_SP2_SP2	C	C[3]	C	3:3:	4:4:2:	3:3:2:	C[3]-3:C-3:	C[3]-4:C[3]-4:C-2:	C[6a]-3:C[6a]-3:C-2:	C(C[3]C[3]2)(CC[6a]2)	C[3](C[3]C[3]HH)2(CC)	C(C[6a]C[6a]2)2(CC[3])	C(C[3]C[3]2)(CC[6a]2)	C[3](C[3]C[3]HH)2(CC)	C(C[6a]C[6a]2)2(CC[3])	178.7915	0.381	2	178.7915	0.145	2	178.0938	0.727	4	178.0938	0.727	4	178.1616	0.568	5	178.1616	0.568	5
983	909	930	0:SP1_SP2_SP2	C	S	C	2:3:	3:2:	2:1:1:	S-2:C-3:	C[5]-3:C-2:	C-2:N-1:O-1:	C(SC[5])(CNO)	S(C[5]C[5]S[5])(CC)	C(CS)(N)(O)	C(SC[5])(CNO)	S(C[5]C[5]S[5])(CC)	C(CS)(N)(O)	108.6600	0.000	1	108.6600	0.000	1	108.6600	0.000	1	108.6600	0.000	1	108.6600	0.000	1	108.6600	0.000	1
983	909	930	0:SP1_SP2_SP3	C	S	C	3:2:	2:2:	3:2:1:	C-3:S-2:	C-2:C-2:	C-3:C-2:C-1:	C(CCC)(SC)	S(CC[6])(CC)	C(CC[6]O)(CS)(C)	C(CCC)(SC)	S(CC[6])(CC)	C(CC[6]O)(CS)(C)	113.6950	0.000	1	113.6950	0.000	1	113.6950	0.000	1	113.6950	0.000	1	113.6950	0.000	1	113.6950	0.000	1
983	909	983	0:SP1_SP1_SP2	C	S	C	2:2:	3:2:	2:2:	S-2:C-2:	C[5]-3:C-2:	C-2:C-2:	C(SC[5])(CC)	S(C[5]C[5]S[5])(CC)	C(CS)2	C(SC[5])(CC)	S(C[5]C[5]S[5])(CC)	C(CS)2	113.0305	1.384	12	113.0305	1.915	12	113.0305	1.915	12	113.0305	1.915	12	117.6706	281.654	13	117.6706	281.654	13
983	909	983	0:SP1_SP1_SP2	C	S	C	2:2:	3:2:	3:2:	C-2:S-2:	C[6a]-3:C-2:	C[6a]-3:C-2:	C(CC[6a])(SC[6a])	S(C[6a]C[6a]2)(CC)	C(C[6a]C[6a]2)(CS)	C(CC[6a])(SC[6a])	S(C[6a]C[6a]2)(CC)	C(C[6a]C[6a]2)(CS)	173.3520	0.000	1	173.3520	0.000	1	173.3520	0.000	1	173.3520	0.000	1	117.6706	281.654	13	117.6706	281.654	13
983	909	983	0:SP1_SP1_SP3	C	S	C	2:2:	4:2:	2:2:	C-2:S-2:	C-4:C-2:	C-2:C-2:	C(CC)(SC)	S(CCHH)(CC)	C(CC)(CS)	C(CC)(SC)	S(CCHH)(CC)	C(CC)(CS)	177.9327	1.221	6	177.9327	1.490	6	177.9327	1.490	6	168.1844	559.346	14	172.8542	281.223	29	172.8542	281.223	29
983	909	983	0:SP1_SP1_SP3	C	S	C	2:2:	4:2:	2:2:	C-2:S-2:	C-4:C-2:	C-2:S-2:	C(CS)(SC)	S(CCHH)(CC)	C(CS)(SC)	C(CS)(SC)	S(CCHH)(CC)	C(CS)(SC)	177.0135	1.579	6	177.0135	2.494	6	177.0135	2.494	6	168.1844	559.346	14	172.8542	281.223	29	172.8542	281.223	29
983	909	983	0:SP1_SP1_SP3	C	S	C	2:2:	4:2:	2:2:	S-2:C-2:	C[6]-4:C-2:	C-2:C-2:	C(SC[6])(CC)	S(C[6]C[6]2S)(CC)	C(CC)(CS)	C(SC[6])(CC)	S(C[6]C[6]2S)(CC)	C(CC)(CS)	112.4520	1.219	2	112.4520	1.486	2	112.4520	1.486	2	168.1844	559.346	14	172.8542	281.223	29	172.8542	281.223	29
983	909	983	0:SP1_SP1_SP3	C	S	C	2:2:	4:2:	3:2:	C-2:S-2:	C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SC)	S(CCHH)(CC)	C(C[6a]C[6a]2)(CS)	C(CC[6a])(SC)	S(CCHH)(CC)	C(C[6a]C[6a]2)(CS)	177.0469	0.981	8	177.0469	0.963	8	176.9378	0.949	9	176.9378	0.949	9	172.8542	281.223	29	172.8542	281.223	29
983	909	983	0:SP1_SP1_SP3	C	S	C	2:2:	4:2:	3:2:	C-2:S-2:	C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SC)	S(CH3)(CC)	C(C[6a]C[6a]2)(CS)	C(CC[6a])(SC)	S(CH3)(CC)	C(C[6a]C[6a]2)(CS)	176.0650	0.000	1	176.0650	0.000	1	176.9378	0.949	9	176.9378	0.949	9	172.8542	281.223	29	172.8542	281.223	29
983	909	983	0:SP1_SP1_SP3	C	S	C	2:2:	4:2:	4:2:	C-2:S-2:	C-4:C-2:	C-4:C-2:	C(CC)(SC)	S(CCHH)(CC)	C(CCHH)(CS)	C(CC)(SC)	S(CCHH)(CC)	C(CCHH)(CS)	177.6250	0.801	6	177.6250	0.641	6	177.6250	0.641	6	177.6250	0.641	6	172.8542	281.223	29	172.8542	281.223	29
983	921	983	0:SP1_SP1_SP3	C	Se	C	2:2:	2:2:	3:2:	C-2:Se-2:	C-2:C-2:	C[6a]-3:C-2:	C(CC[6a])(SeC)	Se(CC)(CW)	C(C[6a]C[6a]2)(CSe)	C(CC[6a])(SeC)	Se(CC)(CW)	C(C[6a]C[6a]2)(CSe)	174.5690	0.000	1	174.5690	0.000	1	174.5690	0.000	1	174.5690	0.000	1	176.1988	3.059	12	176.1988	3.059	12
983	921	983	0:SP1_SP1_SP3	C	Se	C	2:2:	2:2:	4:2:	C-2:Se-2:	C-2:C-2:	Ge-4:C-2:	C(CGe)(SeC)	Se(CC)(CW)	C(GeC[6a]3)(CSe)	C(CGe)(SeC)	Se(CC)(CW)	C(GeC[6a]3)(CSe)	178.5040	0.000	1	178.5040	0.000	1	178.5040	0.000	1	178.2123	1.399	3	176.1988	3.059	12	176.1988	3.059	12
983	921	983	0:SP1_SP1_SP3	C	Se	C	2:2:	2:2:	4:2:	C-2:Se-2:	C-2:C-2:	Si-4:C-2:	C(CSi)(SeC)	Se(CC)(CW)	C(SiC3)(CSe)	C(CSi)(SeC)	Se(CC)(CW)	C(SiC3)(CSe)	176.9110	0.000	1	176.9110	0.000	1	178.0665	2.670	2	178.2123	1.399	3	176.1988	3.059	12	176.1988	3.059	12
983	921	983	0:SP1_SP1_SP3	C	Se	C	2:2:	2:2:	4:2:	C-2:Se-2:	C-2:C-2:	Si-4:C-2:	C(CSi)(SeC)	Se(CC)(CW)	C(SiC[6a]3)(CSe)	C(CSi)(SeC)	Se(CC)(CW)	C(SiC[6a]3)(CSe)	179.2220	0.000	1	179.2220	0.000	1	178.0665	2.670	2	178.2123	1.399	3	176.1988	3.059	12	176.1988	3.059	12
983	921	983	0:SP1_SP1_SP3	C	Se	C	2:2:	4:2:	2:2:	C-2:Se-2:	C-4:C-2:	C-2:Se-2:	C(CSe)(SeC)	Se(CCHH)(CC)	C(CSe)(SeC)	C(CSe)(SeC)	Se(CCHH)(CC)	C(CSe)(SeC)	176.1160	0.600	4	176.1160	0.360	4	176.1160	0.360	4	176.1160	0.360	4	176.1988	3.059	12	176.1988	3.059	12
983	921	983	0:SP1_SP1_SP3	C	Se	C	2:2:	4:2:	3:2:	C-2:Se-2:	C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(SeC)	Se(CCHH)(CC)	C(C[6a]C[6a]2)(CSe)	C(CC[6a])(SeC)	Se(CCHH)(CC)	C(C[6a]C[6a]2)(CSe)	175.1788	1.894	4	175.1788	3.587	4	175.1788	3.587	4	175.1788	3.587	4	176.1988	3.059	12	176.1988	3.059	12
983	924	983	0:SP1_SP-NON_SP1	C	Br	C	2:1:	2:	2:2:	C-2:Br-1:	C-2:	C-2:C-2:	C(CC)(Br)	Br(CC)	C(CBr)(CC)	C(CC)(Br)	Br(CC)	C(CBr)(CC)	179.2010	0.000	1	179.2010	0.000	1	179.1805	0.001	2	179.1805	0.001	2	178.6470	0.854	3	178.6470	0.854	3
983	924	983	0:SP1_SP-NON_SP1	C	Br	C	2:1:	2:	2:2:	C-2:Br-1:	C-2:	C-2:C-2:	C(CC)(Br)	Br(CC)	C(CBr)(CN)	C(CC)(Br)	Br(CC)	C(CBr)(CN)	179.1600	0.000	1	179.1600	0.000	1	179.1805	0.001	2	179.1805	0.001	2	178.6470	0.854	3	178.6470	0.854	3
983	924	983	0:SP1_SP-NON_SP1	C	Br	C	2:1:	2:	4:2:	C-2:Br-1:	C-2:	C-4:C-2:	C(CC)(Br)	Br(CC)	C(CC[6a]3)(CBr)	C(CC)(Br)	Br(CC)	C(CC[6a]3)(CBr)	177.5800	0.000	1	177.5800	0.000	1	177.5800	0.000	1	177.5800	0.000	1	178.6470	0.854	3	178.6470	0.854	3
983	927	983	0:SP1_SP1_SP2	C	B[6a]	C	3:2:	3:3:2:	2:1:	B[6a]-3:C-2:	N[6a]-3:N[6a]-3:C-2:	C-2:H-1:	C(B[6a]N[6a]2)(CH)	B[6a](N[6a]B[6a]H)2(CC)	C(CB[6a])(H)	C(B[6a]N[6a]2)(CH)	B[6a](N[6a]B[6a]H)2(CC){1|N<3>,2|C<2>}	C(CB[6a])(H)	178.9837	0.733	3	178.9837	0.537	3	178.9837	0.537	3	178.9837	0.537	3	178.6318	0.866	6	178.6318	0.866	6
983	927	983	0:SP1_SP1_SP2	C	B[6a]	C	3:2:	3:3:2:	3:2:	B[6a]-3:C-2:	C[6a]-3:N[6a]-3:C-2:	B[6a]-3:C-2:	C(B[6a]C[6a]N[6a])(CB[6a])	B[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC)	C(B[6a]C[6a]N[6a])(CB[6a])	C(B[6a]C[6a]N[6a])(CB[6a])	B[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C(B[6a]C[6a]N[6a])(CB[6a])	178.8105	0.907	2	178.8105	0.823	2	178.8105	0.823	2	178.2800	1.256	3	178.6318	0.866	6	178.6318	0.866	6
983	927	983	0:SP1_SP1_SP2	C	B[6a]	C	3:2:	3:3:2:	3:2:	B[6a]-3:C-2:	C[6a]-3:N[6a]-3:C-2:	C[6a]-3:C-2:	C(B[6a]C[6a]N[6a])(CC[6a])	B[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC)	C(C[6a]C[6a]2)(CB[6a])	C(B[6a]C[6a]N[6a])(CC[6a])	B[6a](C[6a]C[6a]H)(N[6a]C[6a]H)(CC){1|C<3>,2|H<1>}	C(C[6a]C[6a]2)(CB[6a])	177.2190	0.000	1	177.2190	0.000	1	177.2190	0.000	1	178.2800	1.256	3	178.6318	0.866	6	178.6318	0.866	6
983	928	983	0:SP1_SP1_SPD6	C	Si[5]	C	6:2:	3:3:2:1:1:1:	3:2:	Si[5]-6:C-2:	N[5,6]-3:N[5,6]-3:C-2:F-1:F-1:F-1:	C[6a]-3:C-2:	C(Si[5]N[5,6]2F3)(CC[6a])	Si[5](N[5,6]C[5,6]C[6])2(CC)(F)3	C(C[6a]C[6a]2)(CSi[5])	C(Si[5]N[5,6]2F3)(CC[6a])	Si[5](N[5,6]C[5,6]C[6])2(CC)(F)3{2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CSi[5])	171.9790	0.000	1	171.9790	0.000	1	171.9790	0.000	1	173.8063	16.425	3	173.8063	16.425	3	173.8063	16.425	3
983	928	983	0:SP1_SP1_SPD6	C	Si[5]	C	6:2:	3:3:2:1:1:1:	3:2:	Si[5]-6:C-2:	N[5,6a]-3:N[5,6]-3:C-2:F-1:F-1:F-1:	C[6a]-3:C-2:	C(Si[5]N[5,6a]N[5,6]F3)(CC[6a])	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(CC)(F)3	C(C[6a]C[6a]2)(CSi[5])	C(Si[5]N[5,6a]N[5,6]F3)(CC[6a])	Si[5](N[5,6a]C[5,6a,6a]C[6a])(N[5,6]C[5,6,6a]C[6])(CC)(F)3{2|H<1>,4|C<3>}	C(C[6a]C[6a]2)(CSi[5])	174.7200	5.276	2	174.7200	27.841	2	174.7200	27.841	2	173.8063	16.425	3	173.8063	16.425	3	173.8063	16.425	3
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	2:2:1:	4:4:2:	C-3:C-3:	O-2:C-2:H-1:	C-4:C-4:C-2:	C(CCC)(CHO)	C(OC[5])(CC)(H)	C(CH3)2(CC)	C(CCC)(CHO)	C(OC[5])(CC)(H)	C(CH3)2(CC)	178.1090	0.000	1	178.1090	0.000	1	178.1090	0.000	1	178.1090	0.000	1	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	2:2:2:	2:2:2:	C-3:C-3:	O-2:O-2:C-2:	O-2:O-2:C-2:	C(COO)2	C(ORu)2(CC)	C(ORu)2(CC)	C(COO)2	C(ORu)2(CC)	C(ORu)2(CC)	109.7960	0.783	2	109.7960	0.614	2	109.7960	0.614	2	109.7960	0.614	2	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:2:1:	2:1:1:	C-3:C-3:	C-3:C-2:H-1:	C-2:H-1:H-1:	C(CCH)(CHH)	C(CHH)(CC)(H)	C(CC)(H)2	C(CCH)(CHH)	C(CHH)(CC)(H)	C(CC)(H)2	125.3090	0.000	1	125.3090	0.000	1	151.7810	1401.534	2	172.2307	274.591	10	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:2:1:	2:1:1:	C-3:C-3:	C-3:C-2:H-1:	C-2:H-1:H-1:	C(CCH)(CHH)	C(COO)(CC)(H)	C(CC)(H)2	C(CCH)(CHH)	C(COO)(CC)(H)	C(CC)(H)2	178.2530	0.000	1	178.2530	0.000	1	151.7810	1401.534	2	172.2307	274.591	10	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:2:1:	2:1:1:	C-3:C-3:	C[5]-3:C-2:H-1:	C-2:H-1:H-1:	C(CC[5]H)(CHH)	C(C[5]C[5]2)(CC)(H)	C(CC)(H)2	C(CC[5]H)(CHH)	C(C[5]C[5]2)(CC)(H)	C(CC)(H)2	177.7690	0.000	1	177.7690	0.000	1	177.7690	0.000	1	172.2307	274.591	10	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:2:1:	2:1:1:	C-3:C-3:	C[6a]-3:C-2:H-1:	C-2:H-1:H-1:	C(CC[6a]H)(CHH)	C(C[6a]C[6a,6a]2)(CC)(H)	C(CC)(H)2	C(CC[6a]H)(CHH)	C(C[6a]C[6a,6a]2)(CC)(H)	C(CC)(H)2	178.2850	0.000	1	178.2850	0.000	1	178.9647	0.352	3	172.2307	274.591	10	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:2:1:	2:1:1:	C-3:C-3:	C[6a]-3:C-2:H-1:	C-2:H-1:H-1:	C(CC[6a]H)(CHH)	C(C[6a]C[6a]2)(CC)(H)	C(CC)(H)2	C(CC[6a]H)(CHH)	C(C[6a]C[6a]2)(CC)(H)	C(CC)(H)2	179.3045	0.103	2	179.3045	0.011	2	178.9647	0.352	3	172.2307	274.591	10	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:2:1:	2:1:1:	C-3:C-3:	N[5]-3:C-2:H-1:	C-2:H-1:H-1:	C(CN[5]H)(CHH)	C(N[5]C[5]2)(CC)(H)	C(CC)(H)2	C(CN[5]H)(CHH)	C(N[5]C[5]2)(CC)(H)	C(CC)(H)2	175.6170	0.000	1	175.6170	0.000	1	175.6170	0.000	1	172.2307	274.591	10	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:2:1:	2:1:1:	C-3:C-3:	N[5a]-3:C-2:H-1:	C-2:H-1:H-1:	C(CN[5a]H)(CHH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)	C(CC)(H)2	C(CN[5a]H)(CHH)	C(N[5a]C[5a,6a]C[5a])(CC)(H)	C(CC)(H)2	175.9375	2.835	2	175.9375	8.036	2	176.1550	4.160	3	172.2307	274.591	10	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:2:1:	2:1:1:	C-3:C-3:	N[5a]-3:C-2:H-1:	C-2:H-1:H-1:	C(CN[5a]H)(CHH)	C(N[5a]N[5a]2)(CC)(H)	C(CC)(H)2	C(CN[5a]H)(CHH)	C(N[5a]N[5a]2)(CC)(H)	C(CC)(H)2	176.5900	0.000	1	176.5900	0.000	1	176.1550	4.160	3	172.2307	274.591	10	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:2:1:	2:2:2:	C-3:C-3:	C[6a]-3:C-2:H-1:	O-2:O-2:C-2:	C(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CC)(H)	C(OMn)(ONi)(CC)	C(CC[6a]H)(COO)	C(C[6a]C[6a]2)(CC)(H)	C(OMn)(ONi)(CC)	122.0450	0.000	1	122.0450	0.000	1	122.0450	0.000	1	122.0450	0.000	1	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:2:1:	3:2:1:	C-3:C-3:	C[6a]-3:C-2:H-1:	C-3:C-2:H-1:	C(CC[6a]H)(CCH)	C(C[6a]C[6a]2)(CC)(H)	C(CNO)(CC)(H)	C(CC[6a]H)(CCH)	C(C[6a]C[6a]2)(CC)(H)	C(CNO)(CC)(H)	179.3470	0.000	1	179.3470	0.000	1	179.3470	0.000	1	179.3470	0.000	1	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:2:1:	3:3:2:	C-3:C-3:	C[6a]-3:C-2:Br-1:	C[6a]-3:C[6a]-3:C-2:	C(CC[6a]Br)(CC[6a]2)	C(C[6a]C[6a]2)(CC)(Br)	C(C[6a]C[6a]2)2(CC)	C(CC[6a]Br)(CC[6a]2)	C(C[6a]C[6a]2)(CC)(Br)	C(C[6a]C[6a]2)2(CC)	173.9550	0.000	1	173.9550	0.000	1	173.9550	0.000	1	176.6910	5.648	3	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:2:1:	3:3:2:	C-3:C-3:	C[6a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-2:	C(CC[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(CC)(H)	C(C[6a]C[6a]2)2(CC)	C(CC[6a]2)(CC[6a]H)	C(C[6a]C[6a]2)(CC)(H)	C(C[6a]C[6a]2)2(CC)	177.8740	0.000	1	177.8740	0.000	1	177.8740	0.000	1	176.6910	5.648	3	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:2:1:	3:3:2:	C-3:C-3:	N[5a]-3:C-2:H-1:	C[6a]-3:C[6a]-3:C-2:	C(CC[6a]2)(CN[5a]H)	C(N[5a]C[5a,6a]N[5a])(CC)(H)	C(C[6a]C[6a]2)2(CC)	C(CC[6a]2)(CN[5a]H)	C(N[5a]C[5a,6a]N[5a])(CC)(H)	C(C[6a]C[6a]2)2(CC)	178.2440	0.000	1	178.2440	0.000	1	178.2440	0.000	1	176.6910	5.648	3	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:2:1:	4:2:1:	C-3:C-3:	N[5]-3:C-2:H-1:	C-4:C-2:H-1:	C(CN[5]H)(CCH)	C(N[5]C[5]2)(CC)(H)	C(CH3)(CC)(H)	C(CN[5]H)(CCH)	C(N[5]C[5]2)(CC)(H)	C(CH3)(CC)(H)	177.7430	0.000	1	177.7430	0.000	1	177.7430	0.000	1	177.7430	0.000	1	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:2:1:	4:3:2:	C-3:C-3:	C[6]-3:C-2:H-1:	C-4:C-3:C-2:	C(CC[6]H)(CCC)	C(C[6]C[6]2)(CC)(H)	C(CCHH)(COO)(CC)	C(CC[6]H)(CCC)	C(C[6]C[6]2)(CC)(H)	C(CCHH)(COO)(CC)	178.2310	0.000	1	178.2310	0.000	1	178.2310	0.000	1	176.2683	14.320	3	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:2:1:	4:3:2:	C-3:C-3:	C[6a]-3:C-2:H-1:	C-4:C-3:C-2:	C(CC[6a]H)(CCC)	C(C[6a]C[6a]2)(CC)(H)	C(CCHH)(COO)(CC)	C(CC[6a]H)(CCC)	C(C[6a]C[6a]2)(CC)(H)	C(CCHH)(COO)(CC)	178.6680	0.000	1	178.6680	0.000	1	178.6680	0.000	1	176.2683	14.320	3	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:2:1:	4:3:2:	C-3:C-3:	C[6a]-3:C-2:H-1:	Si-4:C-3:C-2:	C(CC[6a]H)(CSiC)	C(C[6a]C[6a]2)(CC)(H)	C(SiC3)(CSiC)(CC)	C(CC[6a]H)(CSiC)	C(C[6a]C[6a]2)(CC)(H)	C(SiC3)(CSiC)(CC)	171.9060	0.000	1	171.9060	0.000	1	171.9060	0.000	1	176.2683	14.320	3	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:2:1:	4:4:2:	C-3:C-3:	C-3:C-2:H-1:	C-4:C-4:C-2:	C(CCC)(CCH)	C(CCH)(CC)(H)	C(CH3)2(CC)	C(CCC)(CCH)	C(CCH)(CC)(H)	C(CH3)2(CC)	179.8860	0.000	1	179.8860	0.000	1	179.8860	0.000	1	177.3810	12.550	2	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:2:1:	4:4:2:	C-3:C-3:	C[6a]-3:C-2:I-1:	C-4:C-4:C-2:	C(CC[6a]I)(CCC)	C(C[6a]C[6a]2)(CC)(I)	C(CHHS)(CH3)(CC)	C(CC[6a]I)(CCC)	C(C[6a]C[6a]2)(CC)(I)	C(CHHS)(CH3)(CC)	174.8760	0.000	1	174.8760	0.000	1	174.8760	0.000	1	177.3810	12.550	2	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:2:2:	2:1:1:	C-3:C-3:	C-3:C-2:C-2:	C-2:H-1:H-1:	C(CCC)(CHH)	C(COO)(CC)(CH)	C(CC)(H)2	C(CCC)(CHH)	C(COO)(CC)(CH)	C(CC)(H)2	126.5690	0.000	1	126.5690	0.000	1	126.5690	0.000	1	126.5690	0.000	1	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	C-3:O-2:C-2:	C-3:O-2:C-2:	C(CCO)2	C(CHH)(ORh)(CC)	C(CHH)(ORh)(CC)	C(CCO)2	C(CHH)(ORh)(CC)	C(CHH)(ORh)(CC)	126.9430	0.000	1	126.9430	0.000	1	126.9430	0.000	1	144.6735	628.741	2	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:2:2:	3:2:2:	C-3:C-3:	C[6a]-3:C-2:S-2:	C[6a]-3:C-2:S-2:	C(CC[6a]S)2	C(C[6a]C[6a]2)(CC)(SC)	C(C[6a]C[6a]2)(CC)(SC)	C(CC[6a]S)2	C(C[6a]C[6a]2)(CC)(SC)	C(C[6a]C[6a]2)(CC)(SC)	162.4040	0.000	1	162.4040	0.000	1	162.4040	0.000	1	144.6735	628.741	2	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:2:2:	4:4:2:	C-3:C-3:	N-3:C-2:O-2:	C-4:C-4:C-2:	C(CCC)(CNO)	C(NCS)(CC)(OC)	C(CH3)2(CC)	C(CCC)(CNO)	C(NCS)(CC)(OC)	C(CH3)2(CC)	177.8040	0.024	2	177.8040	0.001	2	177.8040	0.001	2	177.8040	0.001	2	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:3:2:	2:1:1:	C-3:C-3:	C[6a]-3:C-3:C-2:	C-2:H-1:H-1:	C(CC[6a]C)(CHH)	C(C[6a]C[6a]2)(CCO)(CC)	C(CC)(H)2	C(CC[6a]C)(CHH)	C(C[6a]C[6a]2)(CCO)(CC)	C(CC)(H)2	178.3800	0.000	1	178.3800	0.000	1	178.6930	0.196	2	177.5908	2.022	4	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:3:2:	2:1:1:	C-3:C-3:	C[6a]-3:C-3:C-2:	C-2:H-1:H-1:	C(CC[6a]C)(CHH)	C(C[6a]C[6a]2)(COO)(CC)	C(CC)(H)2	C(CC[6a]C)(CHH)	C(C[6a]C[6a]2)(COO)(CC)	C(CC)(H)2	179.0060	0.000	1	179.0060	0.000	1	178.6930	0.196	2	177.5908	2.022	4	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:3:2:	2:1:1:	C-3:C-3:	C[6a]-3:N-3:C-2:	C-2:H-1:H-1:	C(CC[6a]N)(CHH)	C(C[6a]C[6a]2)(NCS)(CC)	C(CC)(H)2	C(CC[6a]N)(CHH)	C(C[6a]C[6a]2)(NCS)(CC)	C(CC)(H)2	176.4885	1.005	2	176.4885	1.010	2	176.4885	1.010	2	177.5908	2.022	4	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:3:2:	2:2:1:	C-3:C-3:	N-3:C-3:C-2:	C-2:C-2:H-1:	C(CCH)(CCN)	C(NFeC)(CCN)(CC)	C(CC)2(H)	C(CCH)(CCN)	C(NFeC)(CCN)(CC)	C(CC)2(H)	133.6010	0.000	1	133.6010	0.000	1	133.6010	0.000	1	133.6010	0.000	1	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	C[5a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:H-1:	C(CC[5a]C[6a])(CC[6a]H)	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CC)	C(C[6a]C[6a]2)(CC)(H)	C(CC[5a]C[6a])(CC[6a]H)	C(C[5a]C[5a,6a]N[5a])(C[6a]C[6a]2)(CC)	C(C[6a]C[6a]2)(CC)(H)	172.0470	0.000	1	172.0470	0.000	1	172.0470	0.000	1	176.6452	8.390	5	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	C[6a]-3:N-3:C-2:	C[6a]-3:C-2:H-1:	C(CC[6a]H)(CC[6a]N)	C(C[6a]C[6a]2)(NCS)(CC)	C(C[6a]C[6a]2)(CC)(H)	C(CC[6a]H)(CC[6a]N)	C(C[6a]C[6a]2)(NCS)(CC)	C(C[6a]C[6a]2)(CC)(H)	179.1250	0.011	2	179.1250	0.000	2	177.7947	2.377	4	176.6452	8.390	5	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:3:2:	3:2:1:	C-3:C-3:	C[6a]-3:N-3:C-2:	C[6a]-3:C-2:H-1:	C(CC[6a]H)(CC[6a]N)	C(C[6a]C[6a]2)(NSS)(CC)	C(C[6a]C[6a]2)(CC)(H)	C(CC[6a]H)(CC[6a]N)	C(C[6a]C[6a]2)(NSS)(CC)	C(C[6a]C[6a]2)(CC)(H)	176.4645	0.228	2	176.4645	0.052	2	177.7947	2.377	4	176.6452	8.390	5	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	C-3:C-3:C-2:	C-3:C-3:C-2:	C(CCC)2	C(COO)2(CC)	C(COO)2(CC)	C(CCC)2	C(COO)2(CC)	C(COO)2(CC)	176.4670	0.000	1	176.4670	0.000	1	176.4670	0.000	1	175.0479	2.480	11	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	C[5a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C(CC[5a]C[6a])(CC[6a]2)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(CC)	C(C[6a]C[6a]2)2(CC)	C(CC[5a]C[6a])(CC[6a]2)	C(C[5a]N[5a,6a]C[5a])(C[6a]C[6a]2)(CC)	C(C[6a]C[6a]2)2(CC)	174.1670	0.000	1	174.1670	0.000	1	174.1670	0.000	1	175.0479	2.480	11	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	C[6a]-3:C-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C(CC[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CNO)(CC)	C(C[6a]C[6a]2)2(CC)	C(CC[6a]2)(CC[6a]C)	C(C[6a]C[6a]2)(CNO)(CC)	C(C[6a]C[6a]2)2(CC)	177.4350	0.000	1	177.4350	0.000	1	177.4350	0.000	1	175.0479	2.480	11	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	C[6a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C(CC[6a]2)2	C(C[6a]C[6a]2)2(CC)	C(C[6a]C[6a]2)2(CC)	C(CC[6a]2)2	C(C[6a]C[6a]2)2(CC)	C(C[6a]C[6a]2)2(CC)	175.7175	1.464	4	175.7175	2.144	4	175.7175	2.144	4	175.0479	2.480	11	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	C[6a]-3:N-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C(CC[6a]2)(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]P)(CC)	C(C[6a]C[6a]2)2(CC)	C(CC[6a]2)(CC[6a]N)	C(C[6a]C[6a]2)(NC[6a]P)(CC)	C(C[6a]C[6a]2)2(CC)	173.7890	0.000	3	173.7890	0.000	3	173.7890	0.000	3	175.0479	2.480	11	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:3:2:	3:3:2:	C-3:C-3:	N[5a]-3:C[6a]-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C(CC[6a]N[5a])(CC[6a]2)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)	C(C[6a]C[6a]2)2(CC)	C(CC[6a]N[5a])(CC[6a]2)	C(N[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)	C(C[6a]C[6a]2)2(CC)	173.2210	0.000	1	173.2210	0.000	1	173.2210	0.000	1	175.0479	2.480	11	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:3:2:	3:4:2:	C-3:C-3:	C[5a]-3:C[6a]-3:C-2:	C[6a]-3:C[3]-4:C-2:	C(CC[5a]C[6a])(CC[6a]C[3])	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC)	C(C[6a]C[6a]2)(C[3]C[3]2C)(CC)	C(CC[5a]C[6a])(CC[6a]C[3])	C(C[5a]C[5a,6a]C[5a])(C[6a]C[6a]2)(CC)	C(C[6a]C[6a]2)(C[3]C[3]2C)(CC)	173.9670	0.000	1	173.9670	0.000	1	173.9670	0.000	1	173.9822	0.068	4	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:3:2:	3:4:2:	C-3:C-3:	C[5a]-3:C[6a]-3:C-2:	N[5a]-3:Si-4:C-2:	C(CC[5a]C[6a])(CN[5a]Si)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)	C(N[5a]C[5a,6a]N[5a])(SiC3)(CC)	C(CC[5a]C[6a])(CN[5a]Si)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)	C(N[5a]C[5a,6a]N[5a])(SiC3)(CC)	174.1545	0.193	2	174.1545	0.037	2	174.1545	0.037	2	173.9822	0.068	4	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:3:2:	3:4:2:	C-3:C-3:	C[6a]-3:C-3:C-2:	C[6a]-3:C-4:C-2:	C(CC[6a]C)2	C(C[6a]C[6a]2)(CCC)(CC)	C(C[6a]C[6a]2)(CH3)(CC)	C(CC[6a]C)2	C(C[6a]C[6a]2)(CCC)(CC)	C(C[6a]C[6a]2)(CH3)(CC)	173.6530	0.000	1	173.6530	0.000	1	173.6530	0.000	1	173.9822	0.068	4	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:3:2:	4:2:1:	C-3:C-3:	C[6a]-3:C[6a]-3:C-2:	B-4:C-2:H-1:	C(CC[6a]2)(CBH)	C(C[6a]C[6a]2)2(CC)	C(BN[5]3)(CC)(H)	C(CC[6a]2)(CBH)	C(C[6a]C[6a]2)2(CC)	C(BN[5]3)(CC)(H)	176.6780	0.000	1	176.6780	0.000	1	176.6780	0.000	1	176.8800	0.082	2	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:3:2:	4:2:1:	C-3:C-3:	C[6a]-3:C[6a]-3:C-2:	Si-4:C-2:Br-1:	C(CC[6a]2)(CBrSi)	C(C[6a]C[6a]2)2(CC)	C(SiC3)(CC)(Br)	C(CC[6a]2)(CBrSi)	C(C[6a]C[6a]2)2(CC)	C(SiC3)(CC)(Br)	177.0820	0.000	1	177.0820	0.000	1	177.0820	0.000	1	176.8800	0.082	2	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:3:2:	4:4:2:	C-3:C-3:	B[6a]-3:C[6a]-3:C-2:	C-4:C-4:C-2:	C(CB[6a]C[6a])(CCC)	C(B[6a]N[6a]2)(C[6a]C[6a]2)(CC)	C(CH3)2(CC)	C(CB[6a]C[6a])(CCC)	C(B[6a]N[6a]2)(C[6a]C[6a]2)(CC)	C(CH3)2(CC)	177.5210	0.000	1	177.5210	0.000	1	177.5210	0.000	1	177.8987	0.142	3	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:3:2:	4:4:2:	C-3:C-3:	C[6a]-3:C-3:C-2:	C-4:C-4:C-2:	C(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CC[5]C)(CC)	C(CH3)2(CC)	C(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CC[5]C)(CC)	C(CH3)2(CC)	177.9000	0.000	1	177.9000	0.000	1	177.9000	0.000	1	177.8987	0.142	3	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:3:2:	4:4:2:	C-3:C-3:	C[6a]-3:C[6a]-3:C-2:	C-4:C-4:C-2:	C(CC[6a]2)(CCC)	C(C[6a]C[6a]2)2(CC)	C(CH3)2(CC)	C(CC[6a]2)(CCC)	C(C[6a]C[6a]2)2(CC)	C(CH3)2(CC)	178.2750	0.000	1	178.2750	0.000	1	178.2750	0.000	1	177.8987	0.142	3	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:4:2:	2:1:1:	C-3:C-3:	C[6a]-3:C-4:C-2:	C-2:H-1:H-1:	C(CC[6a]C)(CHH)	C(C[6a]C[6a]2)(CCHN)(CC)	C(CC)(H)2	C(CC[6a]C)(CHH)	C(C[6a]C[6a]2)(CCHN)(CC)	C(CC)(H)2	178.9600	0.000	1	178.9600	0.000	1	178.9600	0.000	1	178.5970	0.770	3	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:4:2:	2:1:1:	C-3:C-3:	C[6a]-3:P-4:C-2:	C-2:H-1:H-1:	C(CC[6a]P)(CHH)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(CC)(H)2	C(CC[6a]P)(CHH)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(CC)(H)2	179.2350	0.000	1	179.2350	0.000	1	179.2350	0.000	1	178.5970	0.770	3	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:4:2:	2:1:1:	C-3:C-3:	C[6a]-3:P[6]-4:C-2:	C-2:I-1:I-1:	C(CC[6a]P[6])(CII)	C(C[6a]C[6a]2)(P[6]O[6]2O)(CC)	C(CC)(I)2	C(CC[6a]P[6])(CII)	C(C[6a]C[6a]2)(P[6]O[6]2O)(CC)	C(CC)(I)2	177.5960	0.000	1	177.5960	0.000	1	177.5960	0.000	1	178.5970	0.770	3	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:4:2:	3:2:1:	C-3:C-3:	C[6a]-3:C-4:C-2:	C[6a]-3:C-2:H-1:	C(CC[6a]C)(CC[6a]H)	C(C[6a]C[6a]2)(CCHH)(CC)	C(C[6a]C[6a]2)(CC)(H)	C(CC[6a]C)(CC[6a]H)	C(C[6a]C[6a]2)(CCHH)(CC)	C(C[6a]C[6a]2)(CC)(H)	177.4940	0.000	1	177.4940	0.000	1	177.4125	0.013	2	177.8237	0.514	3	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:4:2:	3:2:1:	C-3:C-3:	C[6a]-3:C-4:C-2:	C[6a]-3:C-2:H-1:	C(CC[6a]C)(CC[6a]H)	C(C[6a]C[6a]2)(CH3)(CC)	C(C[6a]C[6a]2)(CC)(H)	C(CC[6a]C)(CC[6a]H)	C(C[6a]C[6a]2)(CH3)(CC)	C(C[6a]C[6a]2)(CC)(H)	177.3310	0.000	1	177.3310	0.000	1	177.4125	0.013	2	177.8237	0.514	3	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:4:2:	3:2:1:	C-3:C-3:	C[6a]-3:P-4:C-2:	C[6a]-3:C-2:H-1:	C(CC[6a]H)(CC[6a]P)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(C[6a]C[6a]2)(CC)(H)	C(CC[6a]H)(CC[6a]P)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(C[6a]C[6a]2)(CC)(H)	178.6460	0.000	1	178.6460	0.000	1	178.6460	0.000	1	177.8237	0.514	3	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:4:2:	3:3:2:	C-3:C-3:	C[6a]-3:C-4:C-2:	C[6a]-3:C-3:C-2:	C(CC[6a]C)2	C(C[6a]C[6a]2)(CH3)(CC)	C(C[6a]C[6a]2)(COO)(CC)	C(CC[6a]C)2	C(C[6a]C[6a]2)(CH3)(CC)	C(C[6a]C[6a]2)(COO)(CC)	175.1030	0.000	1	175.1030	0.000	1	175.1030	0.000	1	174.5506	5.083	12	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:4:2:	3:3:2:	C-3:C-3:	C[6a]-3:C[4]-4:C-2:	C[6a]-3:C[6a]-3:C-2:	C(CC[6a]C[4])(CC[6a]2)	C(C[6a]C[6a]2)(C[4]C[4]2O)(CC)	C(C[6a]C[6a]2)2(CC)	C(CC[6a]C[4])(CC[6a]2)	C(C[6a]C[6a]2)(C[4]C[4]2O)(CC)	C(C[6a]C[6a]2)2(CC)	175.8000	0.000	1	175.8000	0.000	1	175.8000	0.000	1	174.5506	5.083	12	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:4:2:	3:3:2:	C-3:C-3:	C[6a]-3:C[5]-4:C-2:	C[6a]-3:C[6a]-3:C-2:	C(CC[6a]C[5])(CC[6a]2)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CC)	C(C[6a]C[6a]2)2(CC)	C(CC[6a]C[5])(CC[6a]2)	C(C[6a]C[6a]2)(C[5]C[5]2C)(CC)	C(C[6a]C[6a]2)2(CC)	175.1200	0.000	1	175.1200	0.000	1	175.1200	0.000	1	174.5506	5.083	12	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:4:2:	3:3:2:	C-3:C-3:	C[6a]-3:N-4:C-2:	C[6a]-3:C[6a]-3:C-2:	C(CC[6a]2)(CC[6a]N)	C(C[6a]C[6a]2)(NC3)(CC)	C(C[6a]C[6a]2)2(CC)	C(CC[6a]2)(CC[6a]N)	C(C[6a]C[6a]2)(NC3)(CC)	C(C[6a]C[6a]2)2(CC)	171.8350	0.000	1	171.8350	0.000	1	171.8350	0.000	1	174.5506	5.083	12	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:4:2:	3:3:2:	C-3:C-3:	C[6a]-3:P-4:C-2:	C[6a]-3:C-3:C-2:	C(CC[6a]C)(CC[6a]P)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(C[6a]C[6a]2)(CCP)(CC)	C(CC[6a]C)(CC[6a]P)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(C[6a]C[6a]2)(CCP)(CC)	170.1180	0.000	1	170.1180	0.000	1	170.1180	0.000	1	174.5506	5.083	12	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:4:2:	3:3:2:	C-3:C-3:	C[6a]-3:P-4:C-2:	C[6a]-3:C[6a]-3:C-2:	C(CC[6a]2)(CC[6a]P)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(C[6a]C[6a]2)2(CC)	C(CC[6a]2)(CC[6a]P)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(C[6a]C[6a]2)2(CC)	173.6340	0.000	1	173.6340	0.000	1	173.6340	0.000	1	174.5506	5.083	12	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:4:2:	3:3:2:	C-3:C-3:	C[6a]-3:P-4:C-2:	C[6a]-3:P-3:C-2:	C(CC[6a]P)2	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(C[6a]C[6a]2)(PC[6a]2)(CC)	C(CC[6a]P)2	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(C[6a]C[6a]2)(PC[6a]2)(CC)	175.3160	0.000	1	175.3160	0.000	1	175.3160	0.000	1	174.5506	5.083	12	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:4:2:	3:3:2:	C-3:C-3:	C[6a]-3:S-4:C-2:	C[6a]-3:C[6a]-3:C-2:	C(CC[6a]2)(CC[6a]S)	C(C[6a]C[6a]2)(SC[6a]OO)(CC)	C(C[6a]C[6a]2)2(CC)	C(CC[6a]2)(CC[6a]S)	C(C[6a]C[6a]2)(SC[6a]OO)(CC)	C(C[6a]C[6a]2)2(CC)	178.2690	0.000	1	178.2690	0.000	1	178.2690	0.000	1	174.5506	5.083	12	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:4:2:	3:3:2:	C-3:C-3:	N[5a]-3:Si-4:C-2:	C[6a]-3:C[6a]-3:C-2:	C(CN[5a]Si)(CC[6a]2)	C(N[5a]C[5a,6a]N[5a])(SiC3)(CC)	C(C[6a]C[6a]2)2(CC)	C(CN[5a]Si)(CC[6a]2)	C(N[5a]C[5a,6a]N[5a])(SiC3)(CC)	C(C[6a]C[6a]2)2(CC)	174.8530	1.922	4	174.8530	3.695	4	174.8530	3.695	4	174.5506	5.083	12	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:4:2:	3:4:2:	C-3:C-3:	C[5a]-3:C-4:C-2:	C[5a]-3:C-4:C-2:	C(CC[5a]C)2	C(C[5a]C[5a]N[5a])(CC3)(CC)	C(C[5a]C[5a]N[5a])(CC3)(CC)	C(CC[5a]C)2	C(C[5a]C[5a]N[5a])(CC3)(CC)	C(C[5a]C[5a]N[5a])(CC3)(CC)	177.7230	0.000	1	177.7230	0.000	1	177.7230	0.000	1	164.2360	368.212	16	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:4:2:	3:4:2:	C-3:C-3:	C[6a]-3:C-4:C-2:	C[6a]-3:C-4:C-2:	C(CC[6a]C)2	C(C[6a]C[6a]2)(CC3)(CC)	C(C[6a]C[6a]2)(CH3)(CC)	C(CC[6a]C)2	C(C[6a]C[6a]2)(CC3)(CC)	C(C[6a]C[6a]2)(CH3)(CC)	179.3750	0.000	1	179.3750	0.000	1	178.9250	0.405	2	164.2360	368.212	16	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:4:2:	3:4:2:	C-3:C-3:	C[6a]-3:C-4:C-2:	C[6a]-3:C-4:C-2:	C(CC[6a]C)2	C(C[6a]C[6a]N[6a])(CC3)(CC)	C(C[6a]C[6a]N[6a])(CC3)(CC)	C(CC[6a]C)2	C(C[6a]C[6a]N[6a])(CC3)(CC)	C(C[6a]C[6a]N[6a])(CC3)(CC)	178.4750	0.000	1	178.4750	0.000	1	178.9250	0.405	2	164.2360	368.212	16	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:4:2:	3:4:2:	C-3:C-3:	C[6a]-3:P-4:C-2:	C[6]-3:P-4:C-2:	C(CC[6a]P)(CC[6]P)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(C[6]C[6]2)(PC[6a]2O)(CC)	C(CC[6a]P)(CC[6]P)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(C[6]C[6]2)(PC[6a]2O)(CC)	175.3597	0.271	3	175.3597	0.073	3	175.3597	0.073	3	164.2360	368.212	16	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:4:2:	3:4:2:	C-3:C-3:	C[6a]-3:P-4:C-2:	C[6a]-3:P-4:C-2:	C(CC[6a]P)2	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(CC[6a]P)2	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	176.0897	2.273	4	176.0897	5.166	4	167.9048	163.916	6	164.2360	368.212	16	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:4:2:	3:4:2:	C-3:C-3:	C[6a]-3:P-4:C-2:	C[6a]-3:P-4:C-2:	C(CC[6a]P)2	C(C[6a]C[6a]2)(PC[6a]2Pd)(CC)	C(C[6a]C[6a]2)(PC[6a]2Pd)(CC)	C(CC[6a]P)2	C(C[6a]C[6a]2)(PC[6a]2Pd)(CC)	C(C[6a]C[6a]2)(PC[6a]2Pd)(CC)	151.2460	0.000	1	151.2460	0.000	1	167.9048	163.916	6	164.2360	368.212	16	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:4:2:	3:4:2:	C-3:C-3:	C[6a]-3:P-4:C-2:	C[6a]-3:P-4:C-2:	C(CC[6a]P)2	C(C[6a]C[6a]2)(PC[6a]2Pt)(CC)	C(C[6a]C[6a]2)(PC[6a]2Pt)(CC)	C(CC[6a]P)2	C(C[6a]C[6a]2)(PC[6a]2Pt)(CC)	C(C[6a]C[6a]2)(PC[6a]2Pt)(CC)	151.8240	0.000	1	151.8240	0.000	1	167.9048	163.916	6	164.2360	368.212	16	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:4:2:	3:4:2:	C-3:C-3:	C[6a]-3:S-4:C-2:	C[6a]-3:S-4:C-2:	C(CC[6a]S)2	C(C[6a]C[6a]2)(SCOO)(CC)	C(C[6a]C[6a]2)(SCOO)(CC)	C(CC[6a]S)2	C(C[6a]C[6a]2)(SCOO)(CC)	C(C[6a]C[6a]2)(SCOO)(CC)	169.9580	0.000	1	169.9580	0.000	1	169.9580	0.000	1	164.2360	368.212	16	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:4:2:	3:4:2:	C-3:C-3:	N-3:C-4:C-2:	N-3:C-4:C-2:	C(CCN)2	C(NC[6a]Ir)(CH3)(CC)	C(NC[6a]Ir)(CH3)(CC)	C(CCN)2	C(NC[6a]Ir)(CH3)(CC)	C(NC[6a]Ir)(CH3)(CC)	129.5790	0.891	3	129.5790	0.793	3	129.5790	0.793	3	164.2360	368.212	16	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:4:2:	4:2:1:	C-3:C-3:	C[5a]-3:Si-4:C-2:	C-4:C-2:H-1:	C(CC[5a]Si)(CCH)	C(C[5a]C[5a]O[5a])(SiC3)(CC)	C(CH3)(CC)(H)	C(CC[5a]Si)(CCH)	C(C[5a]C[5a]O[5a])(SiC3)(CC)	C(CH3)(CC)(H)	177.5560	0.000	1	177.5560	0.000	1	177.5560	0.000	1	177.5493	2.223	11	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:4:2:	4:2:1:	C-3:C-3:	C[6a]-3:C-4:C-2:	C-4:C-2:H-1:	C(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CN[5]HH)(CC)	C(CC3)(CC)(H)	C(CC[6a]C)(CCH)	C(C[6a]C[6a]2)(CN[5]HH)(CC)	C(CC3)(CC)(H)	177.3033	1.847	6	177.3033	3.412	6	177.3033	3.412	6	177.5493	2.223	11	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:4:2:	4:2:1:	C-3:C-3:	C[6a]-3:P-4:C-2:	P-4:C-2:H-1:	C(CC[6a]P)(CHP)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(PC[6a]C[6]O)(CC)(H)	C(CC[6a]P)(CHP)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(PC[6a]C[6]O)(CC)(H)	176.9475	0.295	2	176.9475	0.087	2	176.9475	0.087	2	177.5493	2.223	11	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:4:2:	4:2:1:	C-3:C-3:	C[6a]-3:Si-4:C-2:	C-4:C-2:H-1:	C(CC[6a]Si)(CCH)	C(C[6a]C[6a]2)(SiC3)(CC)	C(CCHH)(CC)(H)	C(CC[6a]Si)(CCH)	C(C[6a]C[6a]2)(SiC3)(CC)	C(CCHH)(CC)(H)	178.8855	0.654	2	178.8855	0.428	2	178.8855	0.428	2	177.5493	2.223	11	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:4:2:	4:2:2:	C-3:C-3:	C[6a]-3:C-4:C-2:	C[3]-4:C-2:C-2:	C(CC[6a]C)(CC[3]C)	C(C[6a]C[6a]2)(CCHN)(CC)	C(C[3]C[3]2H)(CC)(CN)	C(CC[6a]C)(CC[3]C)	C(C[6a]C[6a]2)(CCHN)(CC)	C(C[3]C[3]2H)(CC)(CN)	176.9320	0.000	1	176.9320	0.000	1	176.9320	0.000	1	176.9320	0.000	1	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:4:2:	4:3:2:	C-3:C-3:	C[6a]-3:P-4:C-2:	P-4:C-3:C-2:	C(CC[6a]P)(CCP)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(PC[6a]2O)(CC[6a]C)(CC)	C(CC[6a]P)(CCP)	C(C[6a]C[6a]2)(PC[6a]2O)(CC)	C(PC[6a]2O)(CC[6a]C)(CC)	172.5140	0.000	1	172.5140	0.000	1	172.5140	0.000	1	172.5140	0.000	1	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:4:2:	4:4:2:	C-3:C-3:	B[6a]-3:C-4:C-2:	C-4:C-4:C-2:	C(CB[6a]C)(CCC)	C(B[6a]N[6a]2)(CCHH)(CC)	C(CH3)2(CC)	C(CB[6a]C)(CCC)	C(B[6a]N[6a]2)(CCHH)(CC)	C(CH3)2(CC)	178.2370	0.000	1	178.2370	0.000	1	178.2370	0.000	1	176.0505	2.135	4	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:4:2:	4:4:2:	C-3:C-3:	C[6a]-3:C-4:C-2:	C-4:C-4:C-2:	C(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CCHH)(CC)	C(CH3)2(CC)	C(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CCHH)(CC)	C(CH3)2(CC)	175.3440	0.000	1	175.3440	0.000	1	175.2675	0.012	2	176.0505	2.135	4	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:4:2:	4:4:2:	C-3:C-3:	C[6a]-3:C-4:C-2:	C-4:C-4:C-2:	C(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CCHN)(CC)	C(CH3)2(CC)	C(CC[6a]C)(CCC)	C(C[6a]C[6a]2)(CCHN)(CC)	C(CH3)2(CC)	175.1910	0.000	1	175.1910	0.000	1	175.2675	0.012	2	176.0505	2.135	4	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	3:4:2:	4:4:2:	C-3:C-3:	C[6a]-3:C-4:C-2:	C[6]-4:C-4:C-2:	C(CC[6a]C)(CC[6]C)	C(C[6a]C[6a]2)(CCCO)(CC)	C(C[6]C[6]2H)(CH3)(CC)	C(CC[6a]C)(CC[6]C)	C(C[6a]C[6a]2)(CCCO)(CC)	C(C[6]C[6]2H)(CH3)(CC)	175.4300	0.000	1	175.4300	0.000	1	175.4300	0.000	1	176.0505	2.135	4	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:2:1:	2:1:1:	C-3:C-3:	C-4:C-2:H-1:	C-2:Br-1:H-1:	C(CBrH)(CCH)	C(CCHO)(CC)(H)	C(CC)(Br)(H)	C(CBrH)(CCH)	C(CCHO)(CC)(H)	C(CC)(Br)(H)	177.7590	0.000	1	177.7590	0.000	1	177.7590	0.000	1	178.0434	1.016	12	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:2:1:	2:1:1:	C-3:C-3:	C-4:C-2:H-1:	C-2:H-1:H-1:	C(CCH)(CHH)	C(CCCH)(CC)(H)	C(CC)(H)2	C(CCH)(CHH)	C(CCCH)(CC)(H)	C(CC)(H)2	179.3140	0.000	1	179.3140	0.000	1	178.7100	0.280	4	178.0434	1.016	12	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:2:1:	2:1:1:	C-3:C-3:	C-4:C-2:H-1:	C-2:H-1:H-1:	C(CCH)(CHH)	C(CC[6a]C[6]H)(CC)(H)	C(CC)(H)2	C(CCH)(CHH)	C(CC[6a]C[6]H)(CC)(H)	C(CC)(H)2	178.0270	0.000	1	178.0270	0.000	1	178.7100	0.280	4	178.0434	1.016	12	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:2:1:	2:1:1:	C-3:C-3:	C-4:C-2:H-1:	C-2:H-1:H-1:	C(CCH)(CHH)	C(CC[6a]HN)(CC)(H)	C(CC)(H)2	C(CCH)(CHH)	C(CC[6a]HN)(CC)(H)	C(CC)(H)2	178.7495	0.078	2	178.7495	0.006	2	178.7100	0.280	4	178.0434	1.016	12	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:2:1:	2:1:1:	C-3:C-3:	C[5,6]-4:C-2:H-1:	C-2:H-1:H-1:	C(CC[5,6]H)(CHH)	C(C[5,6]C[5,5,6]C[5,6]O)(CC)(H)	C(CC)(H)2	C(CC[5,6]H)(CHH)	C(C[5,6]C[5,5,6]C[5,6]O)(CC)(H)	C(CC)(H)2	178.1730	0.000	1	178.1730	0.000	1	177.8973	3.266	3	178.0434	1.016	12	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:2:1:	2:1:1:	C-3:C-3:	C[5,6]-4:C-2:H-1:	C-2:H-1:H-1:	C(CC[5,6]H)(CHH)	C(C[5,6]C[5,6]C[5]C[6])(CC)(H)	C(CC)(H)2	C(CC[5,6]H)(CHH)	C(C[5,6]C[5,6]C[5]C[6])(CC)(H)	C(CC)(H)2	175.9680	0.000	1	175.9680	0.000	1	177.8973	3.266	3	178.0434	1.016	12	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:2:1:	2:1:1:	C-3:C-3:	C[5,6]-4:C-2:H-1:	C-2:H-1:H-1:	C(CC[5,6]H)(CHH)	C(C[5,6]C[5a,6]N[5,6]C[5])(CC)(H)	C(CC)(H)2	C(CC[5,6]H)(CHH)	C(C[5,6]C[5a,6]N[5,6]C[5])(CC)(H)	C(CC)(H)2	179.5510	0.000	1	179.5510	0.000	1	177.8973	3.266	3	178.0434	1.016	12	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:2:1:	2:1:1:	C-3:C-3:	C[5]-4:C-2:H-1:	C-2:H-1:H-1:	C(CC[5]H)(CHH)	C(C[5]C[5,6a]C[5]S)(CC)(H)	C(CC)(H)2	C(CC[5]H)(CHH)	C(C[5]C[5,6a]C[5]S)(CC)(H)	C(CC)(H)2	177.2600	0.000	1	177.2600	0.000	1	177.4100	0.336	3	178.0434	1.016	12	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:2:1:	2:1:1:	C-3:C-3:	C[5]-4:C-2:H-1:	C-2:H-1:H-1:	C(CC[5]H)(CHH)	C(C[5]C[5]O[5]H)(CC)(H)	C(CC)(H)2	C(CC[5]H)(CHH)	C(C[5]C[5]O[5]H)(CC)(H)	C(CC)(H)2	176.9200	0.000	1	176.9200	0.000	1	177.4100	0.336	3	178.0434	1.016	12	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:2:1:	2:1:1:	C-3:C-3:	C[5]-4:C-2:H-1:	C-2:H-1:H-1:	C(CC[5]H)(CHH)	C(C[5]N[5]2H)(CC)(H)	C(CC)(H)2	C(CC[5]H)(CHH)	C(C[5]N[5]2H)(CC)(H)	C(CC)(H)2	178.0500	0.000	1	178.0500	0.000	1	177.4100	0.336	3	178.0434	1.016	12	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:2:1:	2:1:1:	C-3:C-3:	C[6]-4:C-2:H-1:	C-2:Cl-1:H-1:	C(CC[6]H)(CClH)	C(C[6]C[5,6]O[6]H)(CC)(H)	C(CC)(Cl)(H)	C(CC[6]H)(CClH)	C(C[6]C[5,6]O[6]H)(CC)(H)	C(CC)(Cl)(H)	178.0000	0.000	1	178.0000	0.000	1	178.0000	0.000	1	178.0434	1.016	12	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:2:1:	2:2:1:	C-3:C-3:	C-4:C-2:H-1:	C-2:O-2:O-1:	C(CCH)(COO)	C(CH3)(CC)(H)	C(CC)(OC)(O)	C(CCH)(COO)	C(CH3)(CC)(H)	C(CC)(OC)(O)	123.5170	0.000	1	123.5170	0.000	1	123.5170	0.000	1	123.5170	0.000	1	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:2:1:	4:2:1:	C-3:C-3:	C-4:C-2:H-1:	C-4:C-2:H-1:	C(CCH)2	C(CCCH)(CC)(H)	C(CCHH)(CC)(H)	C(CCH)2	C(CCCH)(CC)(H)	C(CCHH)(CC)(H)	176.3930	0.000	1	176.3930	0.000	1	176.3930	0.000	1	177.7080	2.336	3	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:2:1:	4:2:1:	C-3:C-3:	C[6]-4:C-2:H-1:	C-4:C-2:H-1:	C(CC[6]H)(CCH)	C(C[6]C[6]2H)(CC)(H)	C(CC[6a]HO)(CC)(H)	C(CC[6]H)(CCH)	C(C[6]C[6]2H)(CC)(H)	C(CC[6a]HO)(CC)(H)	179.3850	0.000	1	179.3850	0.000	1	178.3655	2.079	2	177.7080	2.336	3	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:2:1:	4:2:1:	C-3:C-3:	C[6]-4:C-2:H-1:	C-4:C-2:H-1:	C(CC[6]H)(CCH)	C(C[6]C[6]2H)(CC)(H)	C(CHHO)(CC)(H)	C(CC[6]H)(CCH)	C(C[6]C[6]2H)(CC)(H)	C(CHHO)(CC)(H)	177.3460	0.000	1	177.3460	0.000	1	178.3655	2.079	2	177.7080	2.336	3	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:2:1:	4:3:2:	C-3:C-3:	C-4:C-2:H-1:	C-4:C-3:C-2:	C(CCC)(CCH)	C(CC[6a]HN)(CC)(H)	C(CH3)(CCO)(CC)	C(CCC)(CCH)	C(CC[6a]HN)(CC)(H)	C(CH3)(CCO)(CC)	176.5715	0.313	2	176.5715	0.098	2	176.5715	0.098	2	176.8030	0.210	3	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:2:1:	4:3:2:	C-3:C-3:	C[5]-4:C-2:H-1:	C-4:C-3:C-2:	C(CC[5]H)(CCC)	C(C[5]C[5,6a]C[5]O)(CC)(H)	C(CC[6a]HH)(COO)(CC)	C(CC[5]H)(CCC)	C(C[5]C[5,6a]C[5]O)(CC)(H)	C(CC[6a]HH)(COO)(CC)	177.2660	0.000	1	177.2660	0.000	1	177.2660	0.000	1	176.8030	0.210	3	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:2:1:	4:4:2:	C-3:C-3:	C-4:C-2:H-1:	C-4:C-4:C-2:	C(CCC)(CCH)	C(CC[6a]CH)(CC)(H)	C(CCHH)2(CC)	C(CCC)(CCH)	C(CC[6a]CH)(CC)(H)	C(CCHH)2(CC)	179.0600	0.000	1	179.0600	0.000	1	179.0600	0.000	1	177.1145	7.570	2	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:2:1:	4:4:2:	C-3:C-3:	P[6]-4:C-2:H-1:	C-4:C-4:C-2:	C(CP[6]H)(CCC)	C(P[6]N[6]O[6]O)(CC)(H)	C(CH3)2(CC)	C(CP[6]H)(CCC)	C(P[6]N[6]O[6]O)(CC)(H)	C(CH3)2(CC)	175.1690	0.000	1	175.1690	0.000	1	175.1690	0.000	1	177.1145	7.570	2	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:2:2:	4:2:2:	C-3:C-3:	C-4:C-2:C-2:	C-4:C-2:C-2:	C(CCC)2	C(CC3)(CC)2	C(CC3)(CC)2	C(CCC)2	C(CC3)(CC)2	C(CC3)(CC)2	174.3610	0.218	2	174.3610	0.047	2	174.3610	0.047	2	138.2871	607.885	7	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:2:2:	4:2:2:	C-3:C-3:	C-4:O-2:C-2:	C-4:O-2:C-2:	C(CCO)2	C(CC3)(ONi)(CC)	C(CC3)(ONi)(CC)	C(CCO)2	C(CC3)(ONi)(CC)	C(CC3)(ONi)(CC)	123.8970	0.000	1	123.8970	0.000	1	123.8576	0.889	5	138.2871	607.885	7	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:2:2:	4:2:2:	C-3:C-3:	C-4:O-2:C-2:	C-4:O-2:C-2:	C(CCO)2	C(CF3)(OCu)(CC)	C(CH3)(OCu)(CC)	C(CCO)2	C(CF3)(OCu)(CC)	C(CH3)(OCu)(CC)	125.2270	0.000	1	125.2270	0.000	1	123.8576	0.889	5	138.2871	607.885	7	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:2:2:	4:2:2:	C-3:C-3:	C-4:O-2:C-2:	C-4:O-2:C-2:	C(CCO)2	C(CF3)(OMg)(CC)	C(CF3)(OMg)(CC)	C(CCO)2	C(CF3)(OMg)(CC)	C(CF3)(OMg)(CC)	122.6340	0.000	1	122.6340	0.000	1	123.8576	0.889	5	138.2871	607.885	7	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:2:2:	4:2:2:	C-3:C-3:	C-4:O-2:C-2:	C-4:O-2:C-2:	C(CCO)2	C(CF3)(OPd)(CC)	C(CF3)(OPd)(CC)	C(CCO)2	C(CF3)(OPd)(CC)	C(CF3)(OPd)(CC)	124.0510	0.000	1	124.0510	0.000	1	123.8576	0.889	5	138.2871	607.885	7	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:2:2:	4:2:2:	C-3:C-3:	C-4:O-2:C-2:	C-4:O-2:C-2:	C(CCO)2	C(CF3)(ORh)(CC)	C(CF3)(ORh)(CC)	C(CCO)2	C(CF3)(ORh)(CC)	C(CF3)(ORh)(CC)	123.4790	0.000	1	123.4790	0.000	1	123.8576	0.889	5	138.2871	607.885	7	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:3:2:	2:1:1:	C-3:C-3:	C-4:C-3:C-2:	C-2:H-1:H-1:	C(CCC)(CHH)	C(CC[6a]HH)(CNO)(CC)	C(CC)(H)2	C(CCC)(CHH)	C(CC[6a]HH)(CNO)(CC)	C(CC)(H)2	174.7960	0.000	1	174.7960	0.000	1	174.7960	0.000	1	176.5750	6.330	2	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:3:2:	2:1:1:	C-3:C-3:	C[5]-4:C-3:C-2:	C-2:H-1:H-1:	C(CC[5]C)(CHH)	C(C[5]C[5,6a]C[6a]C[5])(COO)(CC)	C(CC)(H)2	C(CC[5]C)(CHH)	C(C[5]C[5,6a]C[6a]C[5])(COO)(CC)	C(CC)(H)2	178.3540	0.000	1	178.3540	0.000	1	178.3540	0.000	1	176.5750	6.330	2	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:3:2:	3:3:2:	C-3:C-3:	C-4:C-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C(CC[6a]2)(CCC)	C(CC[6a]2C)(CC[6a]O)(CC)	C(C[6a]C[6a]2)2(CC)	C(CC[6a]2)(CCC)	C(CC[6a]2C)(CC[6a]O)(CC)	C(C[6a]C[6a]2)2(CC)	178.7530	0.000	1	178.7530	0.000	1	176.5953	8.876	3	176.5953	8.876	3	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:3:2:	3:3:2:	C-3:C-3:	C-4:C-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C(CC[6a]2)(CCC)	C(CC[6a]2O)(CCH)(CC)	C(C[6a]C[6a]2)2(CC)	C(CC[6a]2)(CCC)	C(CC[6a]2O)(CCH)(CC)	C(C[6a]C[6a]2)2(CC)	177.8370	0.000	1	177.8370	0.000	1	176.5953	8.876	3	176.5953	8.876	3	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:3:2:	3:3:2:	C-3:C-3:	C-4:C-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C(CC[6a]2)(CCC)	C(CC[6a]HO)(CCO)(CC)	C(C[6a]C[6a]2)2(CC)	C(CC[6a]2)(CCC)	C(CC[6a]HO)(CCO)(CC)	C(C[6a]C[6a]2)2(CC)	173.1960	0.000	1	173.1960	0.000	1	176.5953	8.876	3	176.5953	8.876	3	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:3:2:	4:3:2:	C-3:C-3:	C-4:C-3:C-2:	C-4:C-3:C-2:	C(CCC)2	C(CH3)(CCH)(CC)	C(CH3)(COO)(CC)	C(CCC)2	C(CH3)(CCH)(CC)	C(CH3)(COO)(CC)	133.1120	0.000	1	133.1120	0.000	1	133.1120	0.000	1	133.1120	0.000	1	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:3:2:	4:4:2:	C-3:C-3:	C-4:C-3:C-2:	C-4:C-4:C-2:	C(CCC)2	C(CCCH)(CCC)(CC)	C(CCHO)(CH3)(CC)	C(CCC)2	C(CCCH)(CCC)(CC)	C(CCHO)(CH3)(CC)	177.7990	0.000	1	177.7990	0.000	1	177.7990	0.000	1	176.2220	2.163	3	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:3:2:	4:4:2:	C-3:C-3:	C[5]-4:C[6a]-3:C-2:	C-4:C-4:C-2:	C(CC[6a]C[5])(CCC)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC)	C(CH3)2(CC)	C(CC[6a]C[5])(CCC)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)(CC)	C(CH3)2(CC)	175.9790	0.000	1	175.9790	0.000	1	175.9790	0.000	1	176.2220	2.163	3	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:3:2:	4:4:2:	C-3:C-3:	Si-4:C-3:C-2:	C-4:C-4:C-2:	C(CSiC)(CCC)	C(SiC3)(CSiC)(CC)	C(CH3)2(CC)	C(CSiC)(CCC)	C(SiC3)(CSiC)(CC)	C(CH3)2(CC)	174.8880	0.000	1	174.8880	0.000	1	174.8880	0.000	1	176.2220	2.163	3	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:4:2:	2:1:1:	C-3:C-3:	C-4:C-4:C-2:	C-2:H-1:H-1:	C(CCC)(CHH)	C(CC[6a]2C)(CCHH)(CC)	C(CC)(H)2	C(CCC)(CHH)	C(CC[6a]2C)(CCHH)(CC)	C(CC)(H)2	177.6210	0.000	1	177.6210	0.000	1	177.6210	0.000	1	176.8838	5.291	6	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:4:2:	2:1:1:	C-3:C-3:	C-4:Si-4:C-2:	C-2:F-1:F-1:	C(CSiC)(CFF)	C(CHHN)(SiC3)(CC)	C(CC)(F)2	C(CSiC)(CFF)	C(CHHN)(SiC3)(CC)	C(CC)(F)2	176.0135	3.379	2	176.0135	11.419	2	176.0135	11.419	2	176.8838	5.291	6	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:4:2:	2:1:1:	C-3:C-3:	C-4:Si-4:C-2:	C-2:H-1:H-1:	C(CSiC)(CHH)	C(CC[6a]CN)(SiC3)(CC)	C(CC)(H)2	C(CSiC)(CHH)	C(CC[6a]CN)(SiC3)(CC)	C(CC)(H)2	179.3480	0.000	1	179.3480	0.000	1	179.3480	0.000	1	176.8838	5.291	6	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:4:2:	2:1:1:	C-3:C-3:	C[5,5,6]-4:C-4:C-2:	C-2:H-1:H-1:	C(CC[5,5,6]C)(CHH)	C(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])(CH3)(CC)	C(CC)(H)2	C(CC[5,5,6]C)(CHH)	C(C[5,5,6]C[5,6,6a]C[5,5,6]O[5,5])(CH3)(CC)	C(CC)(H)2	177.8620	0.000	1	177.8620	0.000	1	177.8620	0.000	1	176.8838	5.291	6	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:4:2:	2:1:1:	C-3:C-3:	C[5]-4:Si-4:C-2:	C-2:H-1:H-1:	C(CC[5]Si)(CHH)	C(C[5]C[5,6a]C[5]C)(SiC3)(CC)	C(CC)(H)2	C(CC[5]Si)(CHH)	C(C[5]C[5,6a]C[5]C)(SiC3)(CC)	C(CC)(H)2	174.4450	0.000	1	174.4450	0.000	1	174.4450	0.000	1	176.8838	5.291	6	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:4:2:	2:2:1:	C-3:C-3:	C-4:C-4:C-2:	C-2:C-2:H-1:	C(CCC)(CCH)	C(CHHN)(CH3)(CC)	C(CC)(CN)(H)	C(CCC)(CCH)	C(CHHN)(CH3)(CC)	C(CC)(CN)(H)	178.1140	0.000	1	178.1140	0.000	1	178.1140	0.000	1	178.1140	0.000	1	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:4:2:	3:2:1:	C-3:C-3:	C[5]-4:C-4:C-2:	C-3:C-2:H-1:	C(CC[5]C)(CCH)	C(C[5]C[5,6a]C[5]O)(CH3)(CC)	C(COO)(CC)(H)	C(CC[5]C)(CCH)	C(C[5]C[5,6a]C[5]O)(CH3)(CC)	C(COO)(CC)(H)	176.0790	0.000	1	176.0790	0.000	1	176.0790	0.000	1	176.0790	0.000	1	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:4:2:	4:2:2:	C-3:C-3:	C-4:P-4:C-2:	C-4:C-2:O-2:	C(CCO)(CCP)	C(CCHH)(PC3)(CC)	C(CH3)(CC)(OB)	C(CCO)(CCP)	C(CCHH)(PC3)(CC)	C(CH3)(CC)(OB)	173.0440	0.000	1	173.0440	0.000	1	173.0440	0.000	1	173.0440	0.000	1	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:4:2:	4:4:2:	C-3:C-3:	C-4:C-4:C-2:	P-4:P-4:C-2:	C(CCC)(CPP)	C(CH3)2(CC)	C(PO3)2(CC)	C(CCC)(CPP)	C(CH3)2(CC)	C(PO3)2(CC)	176.5110	0.000	1	176.5110	0.000	1	176.5110	0.000	1	176.5965	0.015	2	170.5760	273.586	158	170.5760	273.586	158
983	930	930	0:SP1_SP2_SP2	C	C	C	3:3:	4:4:2:	4:4:2:	C-3:C-3:	C[6]-4:C-4:C-2:	C-4:C-4:C-2:	C(CC[6]C)(CCC)	C(C[6]C[6]2H)(CCCO)(CC)	C(CH3)2(CC)	C(CC[6]C)(CCC)	C(C[6]C[6]2H)(CCCO)(CC)	C(CH3)2(CC)	176.6820	0.000	1	176.6820	0.000	1	176.6820	0.000	1	176.5965	0.015	2	170.5760	273.586	158	170.5760	273.586	158
983	930	941	0:SP1_SP2_SP2	C	C	N	3:2:	2:2:1:	4:2:	C-3:N-2:	C-2:C-2:H-1:	B-4:C-2:	C(CCH)(NB)	C(CN)2(H)	N(BC[6a]3)(CC)	C(CCH)(NB)	C(CN)2(H)	N(BC[6a]3)(CC)	179.3030	0.000	1	179.3030	0.000	1	179.3030	0.000	1	179.3030	0.000	1	170.5441	221.464	12	170.5441	221.464	12
983	930	941	0:SP1_SP2_SP2	C	C	N	3:2:	3:2:1:	4:2:	C-3:N-2:	C-3:C-2:H-1:	B-4:C-2:	C(CCH)(NB)	C(CHH)(CN)(H)	N(BC[6a]2C)(CC)	C(CCH)(NB)	C(CHH)(CN)(H)	N(BC[6a]2C)(CC)	177.6610	0.000	1	177.6610	0.000	1	177.6610	0.000	1	177.6610	0.000	1	170.5441	221.464	12	170.5441	221.464	12
983	930	941	0:SP1_SP2_SP2	C	C	N	3:2:	3:2:2:	3:2:	C-3:N-2:	C-3:C-2:N-2:	C-3:C-2:	C(CCN)(NC)	C(COO)(CN)(NC)	N(CCO)(CC)	C(CCN)(NC)	C(COO)(CN)(NC)	N(CCO)(CC)	124.5510	0.000	1	124.5510	0.000	1	124.5510	0.000	1	124.5510	0.000	1	170.5441	221.464	12	170.5441	221.464	12
983	930	941	0:SP1_SP2_SP2	C	C	N	3:2:	3:3:2:	3:2:	C-3:N-2:	C[5a]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C(CC[5a]C[6a])(NC[6a])	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CN)	N(C[6a]C[6a]2)(CC)	C(CC[5a]C[6a])(NC[6a])	C(C[5a]C[5a]O[5a])(C[6a]C[6a]2)(CN)	N(C[6a]C[6a]2)(CC)	169.8895	0.069	2	169.8895	0.005	2	169.8895	0.005	2	169.8895	0.005	2	170.5441	221.464	12	170.5441	221.464	12
983	930	941	0:SP1_SP2_SP2	C	C	N	3:2:	3:3:2:	4:2:	C-3:N-2:	B-3:N-3:C-2:	C-4:C-2:	C(CBN)(NC)	C(BC[6a]2)(NB[5]C)(CN)	N(CC3)(CC)	C(CBN)(NC)	C(BC[6a]2)(NB[5]C)(CN)	N(CC3)(CC)	173.9300	0.000	1	173.9300	0.000	1	173.9300	0.000	1	174.9590	10.726	3	170.5441	221.464	12	170.5441	221.464	12
983	930	941	0:SP1_SP2_SP2	C	C	N	3:2:	3:3:2:	4:2:	C-3:N-2:	C-3:C-3:C-2:	B-4:C-2:	C(CCC)(NB)	C(CCN)2(CN)	N(BC[6a]2H)(CC)	C(CCC)(NB)	C(CCN)2(CN)	N(BC[6a]2H)(CC)	178.6250	0.000	1	178.6250	0.000	1	178.6250	0.000	1	174.9590	10.726	3	170.5441	221.464	12	170.5441	221.464	12
983	930	941	0:SP1_SP2_SP2	C	C	N	3:2:	3:3:2:	4:2:	C-3:N-2:	N-3:N-3:C-2:	C-4:C-2:	C(CNN)(NC)	C(NC[5]C)2(CN)	N(CC3)(CC)	C(CNN)(NC)	C(NC[5]C)2(CN)	N(CC3)(CC)	172.3220	0.000	1	172.3220	0.000	1	172.3220	0.000	1	174.9590	10.726	3	170.5441	221.464	12	170.5441	221.464	12
983	930	941	0:SP1_SP2_SP2	C	C	N	3:2:	4:4:2:	4:2:	C-3:N-2:	C-4:Si-4:C-2:	C-4:C-2:	C(CSiC)(NC)	C(CC[6a]HH)(SiC3)(CN)	N(CC[6a]2C)(CC)	C(CSiC)(NC)	C(CC[6a]HH)(SiC3)(CN)	N(CC[6a]2C)(CC)	173.6150	0.000	1	173.6150	0.000	1	173.6150	0.000	1	175.0895	9.979	4	170.5441	221.464	12	170.5441	221.464	12
983	930	941	0:SP1_SP2_SP2	C	C	N	3:2:	4:4:2:	4:2:	C-3:N-2:	P-4:P-4:C-2:	B-4:C-2:	C(CPP)(NB)	C(PC[6a]2N)2(CN)	N(BC[6a]2H)(CC)	C(CPP)(NB)	C(PC[6a]2N)2(CN)	N(BC[6a]2H)(CC)	179.7680	0.000	1	179.7680	0.000	1	179.7680	0.000	1	175.0895	9.979	4	170.5441	221.464	12	170.5441	221.464	12
983	930	941	0:SP1_SP2_SP2	C	C	N	3:2:	4:4:2:	4:2:	C-3:N-2:	P-4:P-4:C-2:	C-4:C-2:	C(CPP)(NC)	C(PC[6a]2N)2(CN)	N(CC3)(CC)	C(CPP)(NC)	C(PC[6a]2N)2(CN)	N(CC3)(CC)	173.4875	0.861	2	173.4875	0.741	2	173.4875	0.741	2	175.0895	9.979	4	170.5441	221.464	12	170.5441	221.464	12
983	930	951	0:SP1_SP-NON_SP2	C	C	H	3:1:	2:1:1:	2:	C-3:H-1:	C-2:C-1:H-1:	C-2:	C(CCH)(H)	C(CH)(C)(H)	H(CC)	C(CCH)(H)	C(CH)(C)(H)	H(CC)	107.4930	0.000	1	107.4930	0.000	1	107.4930	0.000	1	109.5610	6.190	3	122.1670	266.516	44	122.1670	266.516	44
983	930	951	0:SP1_SP-NON_SP2	C	C	H	3:1:	2:1:1:	2:	C-3:H-1:	C-2:H-1:H-1:	C-2:	C(CHH)(H)	C(CH)(H)2	H(CC)	C(CHH)(H)	C(CH)(H)2	H(CC)	112.3220	0.000	1	112.3220	0.000	1	112.3220	0.000	1	109.5610	6.190	3	122.1670	266.516	44	122.1670	266.516	44
983	930	951	0:SP1_SP-NON_SP2	C	C	H	3:1:	2:1:1:	2:	C-3:H-1:	C-2:H-1:O-1:	C-2:	C(CHO)(H)	C(CH)(H)(O)	H(CC)	C(CHO)(H)	C(CH)(H)(O)	H(CC)	108.8680	0.000	1	108.8680	0.000	1	108.8680	0.000	1	109.5610	6.190	3	122.1670	266.516	44	122.1670	266.516	44
983	930	951	0:SP1_SP-NON_SP2	C	C	H	3:1:	2:2:1:	2:	C-3:H-1:	C-2:C-2:H-1:	C-2:	C(CCH)(H)	C(CH)(CN)(H)	H(CC)	C(CCH)(H)	C(CH)(CN)(H)	H(CC)	114.8340	0.000	1	114.8340	0.000	1	114.8340	0.000	1	114.9595	0.032	2	122.1670	266.516	44	122.1670	266.516	44
983	930	951	0:SP1_SP-NON_SP2	C	C	H	3:1:	2:2:1:	2:	C-3:H-1:	C-2:O-2:O-1:	C-2:	C(COO)(H)	C(CH)(OC)(O)	H(CC)	C(COO)(H)	C(CH)(OC)(O)	H(CC)	115.0850	0.000	1	115.0850	0.000	1	115.0850	0.000	1	114.9595	0.032	2	122.1670	266.516	44	122.1670	266.516	44
983	930	951	0:SP1_SP-NON_SP2	C	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:C-2:H-1:	C-2:	C(CCH)(H)	C(CCC)(CH)(H)	H(CC)	C(CCH)(H)	C(CCC)(CH)(H)	H(CC)	112.7480	2.963	2	112.7480	8.778	2	126.5045	298.468	26	126.0526	269.527	29	122.1670	266.516	44	122.1670	266.516	44
983	930	951	0:SP1_SP-NON_SP2	C	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:C-2:H-1:	C-2:	C(CCH)(H)	C(CCH)(CH)(H)	H(CC)	C(CCH)(H)	C(CCH)(CH)(H)	H(CC)	128.5597	18.475	21	128.5597	341.340	21	126.5045	298.468	26	126.0526	269.527	29	122.1670	266.516	44	122.1670	266.516	44
983	930	951	0:SP1_SP-NON_SP2	C	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:C-2:H-1:	C-2:	C(CCH)(H)	C(CCO)(CH)(H)	H(CC)	C(CCH)(H)	C(CCO)(CH)(H)	H(CC)	117.7610	0.000	1	117.7610	0.000	1	126.5045	298.468	26	126.0526	269.527	29	122.1670	266.516	44	122.1670	266.516	44
983	930	951	0:SP1_SP-NON_SP2	C	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:C-2:H-1:	C-2:	C(CCH)(H)	C(CC[5a]H)(CH)(H)	H(CC)	C(CCH)(H)	C(CC[5a]H)(CH)(H)	H(CC)	117.6370	0.000	1	117.6370	0.000	1	126.5045	298.468	26	126.0526	269.527	29	122.1670	266.516	44	122.1670	266.516	44
983	930	951	0:SP1_SP-NON_SP2	C	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C-3:C-2:H-1:	C-2:	C(CCH)(H)	C(CHN)(CH)(H)	H(CC)	C(CCH)(H)	C(CHN)(CH)(H)	H(CC)	128.4690	0.000	1	128.4690	0.000	1	126.5045	298.468	26	126.0526	269.527	29	122.1670	266.516	44	122.1670	266.516	44
983	930	951	0:SP1_SP-NON_SP2	C	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[6]-3:C-2:H-1:	C-2:	C(CC[6]H)(H)	C(C[6]C[6]2)(CH)(H)	H(CC)	C(CC[6]H)(H)	C(C[6]C[6]2)(CH)(H)	H(CC)	126.8670	0.000	1	126.8670	0.000	1	126.8670	0.000	1	126.0526	269.527	29	122.1670	266.516	44	122.1670	266.516	44
983	930	951	0:SP1_SP-NON_SP2	C	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[6a]-3:C-2:H-1:	C-2:	C(CC[6a]H)(H)	C(C[6a]C[6a]2)(CH)(H)	H(CC)	C(CC[6a]H)(H)	C(C[6a]C[6a]2)(CH)(H)	H(CC)	119.4890	0.000	1	119.4890	0.000	1	119.7710	0.159	2	126.0526	269.527	29	122.1670	266.516	44	122.1670	266.516	44
983	930	951	0:SP1_SP-NON_SP2	C	C	H	3:1:	3:2:1:	2:	C-3:H-1:	C[6a]-3:C-2:H-1:	C-2:	C(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CH)(H)	H(CC)	C(CC[6a]H)(H)	C(C[6a]C[6a]N[6a])(CH)(H)	H(CC)	120.0530	0.000	1	120.0530	0.000	1	119.7710	0.159	2	126.0526	269.527	29	122.1670	266.516	44	122.1670	266.516	44
983	930	951	0:SP1_SP-NON_SP2	C	C	H	3:1:	3:2:2:	2:	C-3:H-1:	C-3:C-2:C-2:	C-2:	C(CCC)(H)	C(COO)(CC)(CH)	H(CC)	C(CCC)(H)	C(COO)(CC)(CH)	H(CC)	84.0991	0.000	1	84.0991	0.000	1	84.0991	0.000	1	92.8306	152.476	2	122.1670	266.516	44	122.1670	266.516	44
983	930	951	0:SP1_SP-NON_SP2	C	C	H	3:1:	3:2:2:	2:	C-3:H-1:	N-3:C-2:O-2:	C-2:	C(CNO)(H)	C(NReH)(CH)(ON)	H(CC)	C(CNO)(H)	C(NReH)(CH)(ON)	H(CC)	101.5620	0.000	1	101.5620	0.000	1	101.5620	0.000	1	92.8306	152.476	2	122.1670	266.516	44	122.1670	266.516	44
983	930	951	0:SP1_SP-NON_SP2	C	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C-4:C-2:H-1:	C-2:	C(CCH)(H)	C(CC[5,6]HH)(CH)(H)	H(CC)	C(CCH)(H)	C(CC[5,6]HH)(CH)(H)	H(CC)	127.2120	0.000	1	127.2120	0.000	1	127.2120	0.000	1	119.6631	171.579	5	122.1670	266.516	44	122.1670	266.516	44
983	930	951	0:SP1_SP-NON_SP2	C	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5,5,6]-4:C-2:O-1:	C-2:	C(CC[5,5,6]O)(H)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(CH)(O)	H(CC)	C(CC[5,5,6]O)(H)	C(C[5,5,6]C[5,5,6]C[5,6]O[5,6])(CH)(O)	H(CC)	97.2117	0.000	1	97.2117	0.000	1	97.2117	0.000	1	119.6631	171.579	5	122.1670	266.516	44	122.1670	266.516	44
983	930	951	0:SP1_SP-NON_SP2	C	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:C-2:Br-1:	C-2:	C(CC[5]Br)(H)	C(C[5]C[5]2H)(CH)(Br)	H(CC)	C(CC[5]Br)(H)	C(C[5]C[5]2H)(CH)(Br)	H(CC)	121.8720	0.000	1	121.8720	0.000	1	121.8720	0.000	1	119.6631	171.579	5	122.1670	266.516	44	122.1670	266.516	44
983	930	951	0:SP1_SP-NON_SP2	C	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[5]-4:C-2:H-1:	C-2:	C(CC[5]H)(H)	C(C[5]C[5,6]C[5]H)(CH)(H)	H(CC)	C(CC[5]H)(H)	C(C[5]C[5,6]C[5]H)(CH)(H)	H(CC)	121.5480	0.000	1	121.5480	0.000	1	121.5480	0.000	1	119.6631	171.579	5	122.1670	266.516	44	122.1670	266.516	44
983	930	951	0:SP1_SP-NON_SP2	C	C	H	3:1:	4:2:1:	2:	C-3:H-1:	C[6,6]-4:C-2:H-1:	C-2:	C(CC[6,6]H)(H)	C(C[6,6]C[3x6]C[6,6]H)(CH)(H)	H(CC)	C(CC[6,6]H)(H)	C(C[6,6]C[3x6]C[6,6]H)(CH)(H)	H(CC)	130.4720	0.000	1	130.4720	0.000	1	130.4720	0.000	1	119.6631	171.579	5	122.1670	266.516	44	122.1670	266.516	44
983	930	951	0:SP1_SP-NON_SP2	C	C	H	3:1:	4:3:2:	2:	C-3:H-1:	C-4:C-3:C-2:	C-2:	C(CCC)(H)	C(CH3)(CCH)(CH)	H(CC)	C(CCC)(H)	C(CH3)(CCH)(CH)	H(CC)	118.3620	0.000	1	118.3620	0.000	1	118.3620	0.000	1	118.3620	0.000	1	122.1670	266.516	44	122.1670	266.516	44
983	930	951	0:SP1_SP-NON_SP2	C	C	H	3:1:	4:4:2:	2:	C-3:H-1:	N-4:C-4:C-2:	C-2:	C(CCN)(H)	C(NRu2C)(CH3)(CH)	H(CC)	C(CCN)(H)	C(NRu2C)(CH3)(CH)	H(CC)	138.6840	0.000	1	138.6840	0.000	1	138.6840	0.000	1	129.4410	170.866	2	122.1670	266.516	44	122.1670	266.516	44
983	930	951	0:SP1_SP-NON_SP2	C	C	H	3:1:	4:4:2:	2:	C-3:H-1:	P-4:C-4:C-2:	C-2:	C(CCP)(H)	C(POsCC)(CCHH)(CH)	H(CC)	C(CCP)(H)	C(POsCC)(CCHH)(CH)	H(CC)	120.1980	0.000	1	120.1980	0.000	1	120.1980	0.000	1	129.4410	170.866	2	122.1670	266.516	44	122.1670	266.516	44
983	930	956	0:SP1_SP2_SP2	C	C	N	3:3:	3:3:2:	2:1:1:	C-3:N-3:	C[5]-3:C[6]-3:C-2:	C-2:O-1:O-1:	C(CC[5]C[6])(NOO)	C(C[5]C[5]2)(C[6]C[6]2)(CN)	N(CC)(O)2	C(CC[5]C[6])(NOO)	C(C[5]C[5]2)(C[6]C[6]2)(CN)	N(CC)(O)2	106.5855	0.258	2	106.5855	0.067	2	106.5855	0.067	2	106.5855	0.067	2	130.4450	1707.861	3	130.4450	1707.861	3
983	930	956	0:SP1_SP2_SP2	C	C	N	3:3:	4:4:2:	4:4:2:	C-3:N-3:	B-4:Si-4:C-2:	C-4:C-4:C-2:	C(CSiB)(NCC)	C(BC[6a]3)(SiC3)(CN)	N(CCCH)2(CC)	C(CSiB)(NCC)	C(BC[6a]3)(SiC3)(CN)	N(CCCH)2(CC)	178.1640	0.000	1	178.1640	0.000	1	178.1640	0.000	1	178.1640	0.000	1	130.4450	1707.861	3	130.4450	1707.861	3
983	930	979	0:SP1_SP2_SP2	C	C	Si	3:3:	4:4:2:	3:4:2:	Si-3:C-3:	Si-4:C-4:C-2:	C[6a]-3:C-4:C-2:	C(SiC[6a]C)(CSiC)	C(SiC3)(CC3)(CSi)	Si(C[6a]C[6a]2)(CC3)(CC)	C(SiC[6a]C)(CSiC)	C(SiC3)(CC3)(CSi)	Si(C[6a]C[6a]2)(CC3)(CC)	174.2410	0.000	1	174.2410	0.000	1	174.2410	0.000	1	174.2410	0.000	1	174.2410	0.000	1	174.2410	0.000	1
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	2:1:1:	3:2:	C-2:C-3:	C-2:H-1:O-1:	C[6a]-3:C-2:	C(CC[6a])(CHO)	C(CC)(H)(O)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CHO)	C(CC)(H)(O)	C(C[6a]C[6a]2)(CC)	178.7980	0.000	1	178.7980	0.000	1	178.7980	0.000	1	176.6144	4.373	7	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	2:1:1:	3:2:	C-2:C-3:	C-2:O-1:O-1:	C[6a]-3:C-2:	C(CC[6a])(COO)	C(CC)(O)2	C(C[6a]C[6a]2)(CC)	C(CC[6a])(COO)	C(CC)(O)2	C(C[6a]C[6a]2)(CC)	176.2505	2.033	6	176.2505	4.135	6	176.2505	4.135	6	176.6144	4.373	7	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	2:1:1:	4:2:	C-2:C-3:	C-2:O-1:O-1:	C[3x6]-4:C-2:	C(CC[3x6])(COO)	C(CC)(O)2	C(C[3x6]C[6,6]3)(CC)	C(CC[3x6])(COO)	C(CC)(O)2	C(C[3x6]C[6,6]3)(CC)	175.5430	0.000	1	175.5430	0.000	1	175.5430	0.000	1	175.5430	0.000	1	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	2:2:1:	3:2:	C-2:C-3:	C-2:N-2:Br-1:	C[6a]-3:C-2:	C(CC[6a])(CBrN)	C(CC)(NO)(Br)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CBrN)	C(CC)(NO)(Br)	C(C[6a]C[6a]2)(CC)	177.6660	0.000	1	177.6660	0.000	1	177.6660	0.000	1	176.0519	8.088	17	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	2:2:1:	3:2:	C-2:C-3:	C-2:O-2:O-1:	C[5]-3:C-2:	C(CC[5])(COO)	C(CC)(OC)(O)	C(C[5]C[5]2)(CC)	C(CC[5])(COO)	C(CC)(OC)(O)	C(C[5]C[5]2)(CC)	173.8485	3.525	2	173.8485	12.425	2	173.8485	12.425	2	176.0519	8.088	17	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	2:2:1:	3:2:	C-2:C-3:	C-2:O-2:O-1:	C[6a]-3:C-2:	C(CC[6a])(COO)	C(CC)(OC)(O)	C(C[6a]C[6a,6a]C[6a])(CC)	C(CC[6a])(COO)	C(CC)(OC)(O)	C(C[6a]C[6a,6a]C[6a])(CC)	168.9990	0.000	1	168.9990	0.000	1	176.3861	8.825	12	176.0519	8.088	17	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	2:2:1:	3:2:	C-2:C-3:	C-2:O-2:O-1:	C[6a]-3:C-2:	C(CC[6a])(COO)	C(CC)(OC)(O)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(COO)	C(CC)(OC)(O)	C(C[6a]C[6a]2)(CC)	175.5103	2.312	3	175.5103	5.343	3	176.3861	8.825	12	176.0519	8.088	17	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	2:2:1:	3:2:	C-2:C-3:	C-2:O-2:O-1:	C[6a]-3:C-2:	C(CC[6a])(COO)	C(CC)(OH)(O)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(COO)	C(CC)(OH)(O)	C(C[6a]C[6a]2)(CC)	177.6379	1.558	8	177.6379	2.426	8	176.3861	8.825	12	176.0519	8.088	17	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	2:2:1:	3:2:	C-2:C-3:	O-2:C-2:O-1:	C[6a]-3:C-2:	C(CC[6a])(COO)	C(OC[6a])(CC)(O)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(COO)	C(OC[6a])(CC)(O)	C(C[6a]C[6a]2)(CC)	175.4435	2.348	2	175.4435	5.515	2	175.4435	5.515	2	176.0519	8.088	17	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	2:2:1:	4:2:	C-2:C-3:	C-2:C-2:O-1:	C[5]-4:C-2:	C(CC[5])(CCO)	C(CC)2(O)	C(C[5]C[5]2Fe)(CC)	C(CC[5])(CCO)	C(CC)2(O)	C(C[5]C[5]2Fe)(CC)	176.5735	0.992	2	176.5735	0.984	2	176.5735	0.984	2	176.2949	2.358	9	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	2:2:1:	4:2:	C-2:C-3:	C-2:O-2:O-1:	C[3x6]-4:C-2:	C(CC[3x6])(COO)	C(CC)(OH)(O)	C(C[3x6]C[6,6]3)(CC)	C(CC[3x6])(COO)	C(CC)(OH)(O)	C(C[3x6]C[6,6]3)(CC)	174.3700	0.000	1	174.3700	0.000	1	174.3700	0.000	1	176.2949	2.358	9	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	2:2:1:	4:2:	C-2:C-3:	C-2:O-2:O-1:	C[5]-4:C-2:	C(CC[5])(COO)	C(CC)(OC)(O)	C(C[5]C[5,5]C[5]O)(CC)	C(CC[5])(COO)	C(CC)(OC)(O)	C(C[5]C[5,5]C[5]O)(CC)	175.7560	0.000	1	175.7560	0.000	1	176.3654	3.241	5	176.2949	2.358	9	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	2:2:1:	4:2:	C-2:C-3:	C-2:O-2:O-1:	C[5]-4:C-2:	C(CC[5])(COO)	C(CC)(OC)(O)	C(C[5]C[5]2Fe)(CC)	C(CC[5])(COO)	C(CC)(OC)(O)	C(C[5]C[5]2Fe)(CC)	176.5178	2.041	4	176.5178	4.167	4	176.3654	3.241	5	176.2949	2.358	9	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	2:2:1:	4:2:	C-2:C-3:	C-2:O-2:O-1:	C[6]-4:C-2:	C(CC[6])(COO)	C(CC)(OH)(O)	C(C[6]C[5a,6]C[6]C)(CC)	C(CC[6])(COO)	C(CC)(OH)(O)	C(C[6]C[5a,6]C[6]C)(CC)	177.3100	0.000	1	177.3100	0.000	1	177.3100	0.000	1	176.2949	2.358	9	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	2:2:2:	3:2:	C-2:C-3:	N-2:C-2:C-2:	C[6a]-3:C-2:	C(CC[6a])(CCN)	C(NC[6a])(CC)2	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCN)	C(NC[6a])(CC)2	C(C[6a]C[6a]2)(CC)	177.3285	0.523	2	177.3285	0.273	2	177.3285	0.273	2	177.2343	0.163	3	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	2:2:2:	3:2:	C-2:C-3:	P-2:C-2:C-2:	C[6a]-3:C-2:	C(CC[6a])(CCP)	C(PC[6a])(CC)2	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCP)	C(PC[6a])(CC)2	C(C[6a]C[6a]2)(CC)	177.0460	0.000	1	177.0460	0.000	1	177.0460	0.000	1	177.2343	0.163	3	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	2:3:2:	3:2:	C-2:C-3:	O-2:C-3:C-2:	C[6a]-3:C-2:	C(CC[6a])(CCO)	C(OC[6a])(CCI)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCO)	C(OC[6a])(CCI)(CC)	C(C[6a]C[6a]2)(CC)	178.4110	0.000	1	178.4110	0.000	1	177.3030	2.455	2	177.3030	2.455	2	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	2:3:2:	3:2:	C-2:C-3:	O-2:C-3:C-2:	C[6a]-3:C-2:	C(CC[6a])(CCO)	C(OC[6a])(CInC)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCO)	C(OC[6a])(CInC)(CC)	C(C[6a]C[6a]2)(CC)	176.1950	0.000	1	176.1950	0.000	1	177.3030	2.455	2	177.3030	2.455	2	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:1:	3:2:	C-2:C-3:	C-3:C-2:Br-1:	C[6]-3:C-2:	C(CC[6])(CBrC)	C(CC[5]H)(CC)(Br)	C(C[6]C[6]2)(CC)	C(CC[6])(CBrC)	C(CC[5]H)(CC)(Br)	C(C[6]C[6]2)(CC)	179.4020	0.000	1	179.4020	0.000	1	179.4020	0.000	1	174.6617	69.217	51	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:1:	3:2:	C-2:C-3:	C-3:C-2:H-1:	C[5]-3:C-2:	C(CC[5])(CCH)	C(CCH)(CC)(H)	C(C[5]C[5]S[5])(CC)	C(CC[5])(CCH)	C(CCH)(CC)(H)	C(C[5]C[5]S[5])(CC)	173.5750	0.000	1	173.5750	0.000	1	173.5750	0.000	1	174.6617	69.217	51	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:1:	3:2:	C-2:C-3:	C-3:C-2:H-1:	C[6a]-3:C-2:	C(CC[6a])(CCH)	C(CBrH)(CC)(H)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCH)	C(CBrH)(CC)(H)	C(C[6a]C[6a]2)(CC)	177.6210	0.000	1	177.6210	0.000	1	176.1088	4.620	38	174.6617	69.217	51	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:1:	3:2:	C-2:C-3:	C-3:C-2:H-1:	C[6a]-3:C-2:	C(CC[6a])(CCH)	C(CCC)(CC)(H)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCH)	C(CCC)(CC)(H)	C(C[6a]C[6a]2)(CC)	175.4593	2.798	3	175.4593	7.828	3	176.1088	4.620	38	174.6617	69.217	51	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:1:	3:2:	C-2:C-3:	C-3:C-2:H-1:	C[6a]-3:C-2:	C(CC[6a])(CCH)	C(CCH)(CC)(H)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCH)	C(CCH)(CC)(H)	C(C[6a]C[6a]2)(CC)	176.5765	1.688	12	176.5765	2.848	12	176.1088	4.620	38	174.6617	69.217	51	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:1:	3:2:	C-2:C-3:	C-3:C-2:H-1:	C[6a]-3:C-2:	C(CC[6a])(CCH)	C(CC[5]H)(CC)(H)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCH)	C(CC[5]H)(CC)(H)	C(C[6a]C[6a]2)(CC)	174.4440	0.000	1	174.4440	0.000	1	176.1088	4.620	38	174.6617	69.217	51	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:1:	3:2:	C-2:C-3:	C-3:C-2:H-1:	C[6a]-3:C-2:	C(CC[6a])(CCH)	C(CC[5a]H)(CC)(H)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCH)	C(CC[5a]H)(CC)(H)	C(C[6a]C[6a]2)(CC)	172.8460	0.000	1	172.8460	0.000	1	176.1088	4.620	38	174.6617	69.217	51	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:1:	3:2:	C-2:C-3:	C-3:C-2:H-1:	C[6a]-3:C-2:	C(CC[6a])(CCH)	C(CC[6]C)(CC)(H)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCH)	C(CC[6]C)(CC)(H)	C(C[6a]C[6a]2)(CC)	177.8040	0.000	2	177.8040	0.000	2	176.1088	4.620	38	174.6617	69.217	51	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:1:	3:2:	C-2:C-3:	C-3:C-2:H-1:	C[6a]-3:C-2:	C(CC[6a])(CCH)	C(CC[6a]2)(CC)(H)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCH)	C(CC[6a]2)(CC)(H)	C(C[6a]C[6a]2)(CC)	176.6235	0.937	4	176.6235	0.878	4	176.1088	4.620	38	174.6617	69.217	51	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:1:	3:2:	C-2:C-3:	C-3:C-2:H-1:	C[6a]-3:C-2:	C(CC[6a])(CCH)	C(CC[6a]C)(CC)(H)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCH)	C(CC[6a]C)(CC)(H)	C(C[6a]C[6a]2)(CC)	174.9640	2.666	2	174.9640	7.106	2	176.1088	4.620	38	174.6617	69.217	51	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:1:	3:2:	C-2:C-3:	C-3:C-2:H-1:	C[6a]-3:C-2:	C(CC[6a])(CCH)	C(CC[6a]Fe)(CC)(H)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCH)	C(CC[6a]Fe)(CC)(H)	C(C[6a]C[6a]2)(CC)	177.8440	0.000	1	177.8440	0.000	1	176.1088	4.620	38	174.6617	69.217	51	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:1:	3:2:	C-2:C-3:	C-3:C-2:H-1:	C[6a]-3:C-2:	C(CC[6a])(CCH)	C(CC[6a]N)(CC)(H)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCH)	C(CC[6a]N)(CC)(H)	C(C[6a]C[6a]2)(CC)	175.5390	1.132	5	175.5390	1.281	5	176.1088	4.620	38	174.6617	69.217	51	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:1:	3:2:	C-2:C-3:	C-3:C-2:H-1:	C[6a]-3:C-2:	C(CC[6a])(CCH)	C(CC[6a]O)(CC)(H)	C(C[6a]C[5a,6a]C[6a])(CC)	C(CC[6a])(CCH)	C(CC[6a]O)(CC)(H)	C(C[6a]C[5a,6a]C[6a])(CC)	170.9580	2.442	2	170.9580	5.965	2	176.1088	4.620	38	174.6617	69.217	51	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:1:	3:2:	C-2:C-3:	C-3:C-2:H-1:	C[6a]-3:C-2:	C(CC[6a])(CCH)	C(CC[6a]O)(CC)(H)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCH)	C(CC[6a]O)(CC)(H)	C(C[6a]C[6a]2)(CC)	178.1685	0.060	2	178.1685	0.004	2	176.1088	4.620	38	174.6617	69.217	51	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:1:	3:2:	C-2:C-3:	C-3:C-2:H-1:	C[6a]-3:C-2:	C(CC[6a])(CCH)	C(CFF)(CC)(H)	C(C[6a]C[6a,6a]2)(CC)	C(CC[6a])(CCH)	C(CFF)(CC)(H)	C(C[6a]C[6a,6a]2)(CC)	178.4780	0.000	1	178.4780	0.000	1	176.1088	4.620	38	174.6617	69.217	51	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:1:	3:2:	C-2:C-3:	C-3:C-2:H-1:	C[6a]-3:C-2:	C(CC[6a])(CCH)	C(CSiC)(CC)(H)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCH)	C(CSiC)(CC)(H)	C(C[6a]C[6a]2)(CC)	177.6270	0.000	1	177.6270	0.000	1	176.1088	4.620	38	174.6617	69.217	51	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:1:	3:2:	C-2:C-3:	C-3:C-2:I-1:	C[6a]-3:C-2:	C(CC[6a])(CCI)	C(CC[6a]I)(CC)(I)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCI)	C(CC[6a]I)(CC)(I)	C(C[6a]C[6a]2)(CC)	176.4635	0.360	2	176.4635	0.130	2	175.2653	4.372	3	174.6617	69.217	51	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:1:	3:2:	C-2:C-3:	C-3:C-2:I-1:	C[6a]-3:C-2:	C(CC[6a])(CCI)	C(CC[6a]S)(CC)(I)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCI)	C(CC[6a]S)(CC)(I)	C(C[6a]C[6a]2)(CC)	172.8690	0.000	1	172.8690	0.000	1	175.2653	4.372	3	174.6617	69.217	51	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:1:	3:2:	C-2:C-3:	C-3:C-2:O-1:	C[6a]-3:C-2:	C(CC[6a])(CCO)	C(CCN)(CC)(O)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCO)	C(CCN)(CC)(O)	C(C[6a]C[6a]2)(CC)	118.5990	0.000	1	118.5990	0.000	1	155.4417	1018.445	3	174.6617	69.217	51	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:1:	3:2:	C-2:C-3:	C-3:C-2:O-1:	C[6a]-3:C-2:	C(CC[6a])(CCO)	C(CCO)(CC)(O)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCO)	C(CCO)(CC)(O)	C(C[6a]C[6a]2)(CC)	173.8630	0.904	2	173.8630	0.817	2	155.4417	1018.445	3	174.6617	69.217	51	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:1:	3:2:	C-2:C-3:	N-3:C-2:O-1:	C[6a]-3:C-2:	C(CC[6a])(CNO)	C(NCC)(CC)(O)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CNO)	C(NCC)(CC)(O)	C(C[6a]C[6a]2)(CC)	174.1034	2.746	5	174.1034	7.542	5	174.1034	7.542	5	174.6617	69.217	51	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:1:	4:2:	C-2:C-3:	C-3:C-2:H-1:	C[3x6]-4:C-2:	C(CC[3x6])(CCH)	C(CBr2)(CC)(H)	C(C[3x6]C[6,6,6a]3)(CC)	C(CC[3x6])(CCH)	C(CBr2)(CC)(H)	C(C[3x6]C[6,6,6a]3)(CC)	177.1650	2.591	2	177.1650	6.712	2	177.1650	6.712	2	173.6413	18.557	8	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:1:	4:2:	C-2:C-3:	C-3:C-2:H-1:	C[6]-4:C-2:	C(CC[6])(CCH)	C(CCH)(CC)(H)	C(C[6]C[5,6]C[6]H)(CC)	C(CC[6])(CCH)	C(CCH)(CC)(H)	C(C[6]C[5,6]C[6]H)(CC)	175.9650	0.013	2	175.9650	0.000	2	171.5616	16.374	5	173.6413	18.557	8	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:1:	4:2:	C-2:C-3:	C-3:C-2:H-1:	C[6]-4:C-2:	C(CC[6])(CCH)	C(CCH)(CC)(H)	C(C[6]C[6]N[6]H)(CC)	C(CC[6])(CCH)	C(CCH)(CC)(H)	C(C[6]C[6]N[6]H)(CC)	168.6260	0.657	3	168.6260	0.432	3	171.5616	16.374	5	173.6413	18.557	8	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:1:	4:2:	C-2:C-3:	N-3:C-2:O-1:	C[5]-4:C-2:	C(CC[5])(CNO)	C(NC[6a]H)(CC)(O)	C(C[5]C[5]2Fe)(CC)	C(CC[5])(CNO)	C(NC[6a]H)(CC)(O)	C(C[5]C[5]2Fe)(CC)	176.9920	0.000	1	176.9920	0.000	1	176.9920	0.000	1	173.6413	18.557	8	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:2:	3:2:	C-2:C-3:	C-3:C-2:C-2:	C[6a]-3:C-2:	C(CC[6a])(CCC)	C(CBr2)(CC)2	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCC)	C(CBr2)(CC)2	C(C[6a]C[6a]2)(CC)	177.4430	0.000	1	177.4430	0.000	1	177.0086	2.891	22	176.5498	6.329	28	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:2:	3:2:	C-2:C-3:	C-3:C-2:C-2:	C[6a]-3:C-2:	C(CC[6a])(CCC)	C(CCC)(CC)(CN)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCC)	C(CCC)(CC)(CN)	C(C[6a]C[6a]2)(CC)	177.9160	0.000	1	177.9160	0.000	1	177.0086	2.891	22	176.5498	6.329	28	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:2:	3:2:	C-2:C-3:	C-3:C-2:C-2:	C[6a]-3:C-2:	C(CC[6a])(CCC)	C(CCC)(CC)2	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCC)	C(CCC)(CC)2	C(C[6a]C[6a]2)(CC)	176.8667	1.813	16	176.8667	3.286	16	177.0086	2.891	22	176.5498	6.329	28	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:2:	3:2:	C-2:C-3:	C-3:C-2:C-2:	C[6a]-3:C-2:	C(CC[6a])(CCC)	C(CC[5]H)(CC)2	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCC)	C(CC[5]H)(CC)2	C(C[6a]C[6a]2)(CC)	177.2595	1.323	2	177.2595	1.750	2	177.0086	2.891	22	176.5498	6.329	28	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:2:	3:2:	C-2:C-3:	C-3:C-2:C-2:	C[6a]-3:C-2:	C(CC[6a])(CCC)	C(CC[6a]2)(CC)2	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCC)	C(CC[6a]2)(CC)2	C(C[6a]C[6a]2)(CC)	177.2225	2.852	2	177.2225	8.133	2	177.0086	2.891	22	176.5498	6.329	28	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:2:	3:2:	C-2:C-3:	C-3:C-2:O-2:	C[6a]-3:C-2:	C(CC[6a])(CCO)	C(CHH)(CC)(OB)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCO)	C(CHH)(CC)(OB)	C(C[6a]C[6a]2)(CC)	178.1310	0.000	1	178.1310	0.000	1	178.1310	0.000	1	176.5498	6.329	28	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:2:	3:2:	C-2:C-3:	C-3:O-2:C-2:	C[6a]-3:C-2:	C(CC[6a])(CCO)	C(CC[6a]C)(OC[6a])(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCO)	C(CC[6a]C)(OC[6a])(CC)	C(C[6a]C[6a]2)(CC)	177.9340	0.000	1	177.9340	0.000	1	177.9340	0.000	1	176.5498	6.329	28	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:2:	3:2:	C-2:C-3:	N-3:C-2:N-2:	C[6a]-3:C-2:	C(CC[6a])(CNN)	C(NCH)(CC)(NC)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CNN)	C(NCH)(CC)(NC)	C(C[6a]C[6a]2)(CC)	177.3430	0.000	1	177.3430	0.000	1	177.3430	0.000	1	176.5498	6.329	28	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:2:	3:2:	C-2:C-3:	N-3:N-2:C-2:	C[6a]-3:C-2:	C(CC[6a])(CNN)	C(NC[6]H)(NC[6a])(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CNN)	C(NC[6]H)(NC[6a])(CC)	C(C[6a]C[6a]2)(CC)	174.2670	1.953	2	174.2670	3.814	2	171.9320	18.264	3	176.5498	6.329	28	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:2:	3:2:	C-2:C-3:	N-3:N-2:C-2:	C[6a]-3:C-2:	C(CC[6a])(CNN)	C(NC[6a]H)(NC[6a])(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CNN)	C(NC[6a]H)(NC[6a])(CC)	C(C[6a]C[6a]2)(CC)	167.2620	0.000	1	167.2620	0.000	1	171.9320	18.264	3	176.5498	6.329	28	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:2:	4:2:	C-2:C-3:	C-3:C-2:C-2:	B[3x6]-4:C-2:	C(CB[3x6])(CCC)	C(CCC)(CC)2	C(B[3x6]N[5a,6,6]3)(CC)	C(CB[3x6])(CCC)	C(CCC)(CC)2	C(B[3x6]N[5a,6,6]3)(CC)	170.7565	0.185	2	170.7565	0.034	2	170.7565	0.034	2	171.9350	4.184	3	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:2:2:	4:2:	C-2:C-3:	C-3:C-2:C-2:	C[5]-4:C-2:	C(CC[5])(CCC)	C(CBr2)(CC)2	C(C[5]C[5]2Fe)(CC)	C(CC[5])(CCC)	C(CBr2)(CC)2	C(C[5]C[5]2Fe)(CC)	174.2920	0.000	1	174.2920	0.000	1	174.2920	0.000	1	171.9350	4.184	3	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:3:2:	3:2:	C-2:C-3:	C-3:C-3:C-2:	C[5a]-3:C-2:	C(CC[5a])(CCC)	C(CCH)2(CC)	C(C[5a]C[5a]2)(CC)	C(CC[5a])(CCC)	C(CCH)2(CC)	C(C[5a]C[5a]2)(CC)	177.5960	0.000	1	177.5960	0.000	1	177.5960	0.000	1	175.8873	4.746	27	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:3:2:	3:2:	C-2:C-3:	C-3:C-3:C-2:	C[6a]-3:C-2:	C(CC[6a])(CCC)	C(CCC)(CCH)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCC)	C(CCC)(CCH)(CC)	C(C[6a]C[6a]2)(CC)	177.4320	0.000	1	177.4320	0.000	1	175.8121	3.873	17	175.8873	4.746	27	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:3:2:	3:2:	C-2:C-3:	C-3:C-3:C-2:	C[6a]-3:C-2:	C(CC[6a])(CCC)	C(CCH)(CNO)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCC)	C(CCH)(CNO)(CC)	C(C[6a]C[6a]2)(CC)	176.6030	0.000	1	176.6030	0.000	1	175.8121	3.873	17	175.8873	4.746	27	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:3:2:	3:2:	C-2:C-3:	C-3:C-3:C-2:	C[6a]-3:C-2:	C(CC[6a])(CCC)	C(CCO)2(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCC)	C(CCO)2(CC)	C(C[6a]C[6a]2)(CC)	177.0145	4.221	2	177.0145	17.814	2	175.8121	3.873	17	175.8873	4.746	27	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:3:2:	3:2:	C-2:C-3:	C-3:C-3:C-2:	C[6a]-3:C-2:	C(CC[6a])(CCC)	C(CC[6a]C)(CCC)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCC)	C(CC[6a]C)(CCC)(CC)	C(C[6a]C[6a]2)(CC)	176.3560	0.000	1	176.3560	0.000	1	175.8121	3.873	17	175.8873	4.746	27	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:3:2:	3:2:	C-2:C-3:	C-3:C-3:C-2:	C[6a]-3:C-2:	C(CC[6a])(CCC)	C(CC[6a]C)(CC[6a]H)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCC)	C(CC[6a]C)(CC[6a]H)(CC)	C(C[6a]C[6a]2)(CC)	175.4769	1.550	8	175.4769	2.403	8	175.8121	3.873	17	175.8873	4.746	27	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:3:2:	3:2:	C-2:C-3:	C-3:C-3:C-2:	C[6a]-3:C-2:	C(CC[6a])(CCC)	C(CC[6a]Co)(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCC)	C(CC[6a]Co)(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CC)	172.8750	0.000	1	172.8750	0.000	1	175.8121	3.873	17	175.8873	4.746	27	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:3:2:	3:2:	C-2:C-3:	C-3:C-3:C-2:	C[6a]-3:C-2:	C(CC[6a])(CCC)	C(CC[6a]Zr)(CSiC)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCC)	C(CC[6a]Zr)(CSiC)(CC)	C(C[6a]C[6a]2)(CC)	175.8180	0.000	1	175.8180	0.000	1	175.8121	3.873	17	175.8873	4.746	27	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:3:2:	3:2:	C-2:C-3:	C-3:C-3:C-2:	C[6a]-3:C-2:	C(CC[6a])(CCC)	C(CHO)(COO)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCC)	C(CHO)(COO)(CC)	C(C[6a]C[6a]2)(CC)	178.3190	0.000	1	178.3190	0.000	1	175.8121	3.873	17	175.8873	4.746	27	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:3:2:	3:2:	C-2:C-3:	C-3:C-3:C-2:	C[6a]-3:C-2:	C(CC[6a])(CCC)	C(CRuS)(CCS)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCC)	C(CRuS)(CCS)(CC)	C(C[6a]C[6a]2)(CC)	173.5580	0.000	1	173.5580	0.000	1	175.8121	3.873	17	175.8873	4.746	27	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:3:2:	3:2:	C-2:C-3:	C-3:N-3:C-2:	C[6a]-3:C-2:	C(CC[6a])(CCN)	C(CC[3]H)(NCS)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCN)	C(CC[3]H)(NCS)(CC)	C(C[6a]C[6a]2)(CC)	170.4530	0.000	1	170.4530	0.000	1	175.5223	20.248	3	175.8873	4.746	27	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:3:2:	3:2:	C-2:C-3:	C-3:N-3:C-2:	C[6a]-3:C-2:	C(CC[6a])(CCN)	C(CC[5a]H)(NCS)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCN)	C(CC[5a]H)(NCS)(CC)	C(C[6a]C[6a]2)(CC)	178.0570	1.396	2	178.0570	1.948	2	175.5223	20.248	3	175.8873	4.746	27	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:3:2:	3:2:	C-2:C-3:	C-3:P-3:C-2:	C[6a]-3:C-2:	C(CC[6a])(CCP)	C(CC[6]Zr)(PC[6a]2)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCP)	C(CC[6]Zr)(PC[6a]2)(CC)	C(C[6a]C[6a]2)(CC)	176.4505	3.393	2	176.4505	11.515	2	176.4505	11.515	2	175.8873	4.746	27	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:3:2:	3:2:	C-2:C-3:	N-3:N-3:C-2:	C[6a]-3:C-2:	C(CC[6a])(CNN)	C(NCC)2(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CNN)	C(NCC)2(CC)	C(C[6a]C[6a]2)(CC)	176.2960	0.000	1	176.2960	0.000	1	175.7720	1.774	4	175.8873	4.746	27	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:3:2:	3:2:	C-2:C-3:	N-3:N-3:C-2:	C[6a]-3:C-2:	C(CC[6a])(CNN)	C(NMgC)(NCC)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CNN)	C(NMgC)(NCC)(CC)	C(C[6a]C[6a]2)(CC)	176.0225	1.968	2	176.0225	3.873	2	175.7720	1.774	4	175.8873	4.746	27	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:3:2:	3:2:	C-2:C-3:	N-3:N-3:C-2:	C[6a]-3:C-2:	C(CC[6a])(CNN)	C(NZnC)(NCH)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CNN)	C(NZnC)(NCH)(CC)	C(C[6a]C[6a]2)(CC)	174.7470	0.000	1	174.7470	0.000	1	175.7720	1.774	4	175.8873	4.746	27	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:3:2:	4:2:	C-2:C-3:	C-3:C-3:C-2:	C[5]-4:C-2:	C(CC[5])(CCC)	C(CC[5]C)(CCC)(CC)	C(C[5]C[5]2Fe)(CC)	C(CC[5])(CCC)	C(CC[5]C)(CCC)(CC)	C(C[5]C[5]2Fe)(CC)	177.2680	0.000	1	177.2680	0.000	1	177.2680	0.000	1	177.2690	2.486	7	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:3:2:	4:2:	C-2:C-3:	N-3:N-3:C-2:	C[3]-4:C-2:	C(CC[3])(CNN)	C(NC[6]Co)(NC[6]H)(CC)	C(C[3]C[3]2H)(CC)	C(CC[3])(CNN)	C(NC[6]Co)(NC[6]H)(CC)	C(C[3]C[3]2H)(CC)	177.4250	2.281	2	177.4250	5.204	2	177.2692	2.983	6	177.2690	2.486	7	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:3:2:	4:2:	C-2:C-3:	N-3:N-3:C-2:	C[3]-4:C-2:	C(CC[3])(CNN)	C(NC[6]Fe)(NC[6]H)(CC)	C(C[3]C[3]2H)(CC)	C(CC[3])(CNN)	C(NC[6]Fe)(NC[6]H)(CC)	C(C[3]C[3]2H)(CC)	176.9410	3.049	2	176.9410	9.297	2	177.2692	2.983	6	177.2690	2.486	7	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:3:2:	4:2:	C-2:C-3:	N-3:N-3:C-2:	C[3]-4:C-2:	C(CC[3])(CNN)	C(NFeC)(NCH)(CC)	C(C[3]C[3]2H)(CC)	C(CC[3])(CNN)	C(NFeC)(NCH)(CC)	C(C[3]C[3]2H)(CC)	177.6540	0.000	1	177.6540	0.000	1	177.2692	2.983	6	177.2690	2.486	7	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:3:2:	4:2:	C-2:C-3:	N-3:N-3:C-2:	C[3]-4:C-2:	C(CC[3])(CNN)	C(NMnC)(NCH)(CC)	C(C[3]C[3]2H)(CC)	C(CC[3])(CNN)	C(NMnC)(NCH)(CC)	C(C[3]C[3]2H)(CC)	177.2290	0.000	1	177.2290	0.000	1	177.2692	2.983	6	177.2690	2.486	7	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:4:2:	3:2:	C-2:C-3:	C-3:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(CCC)	C(CC[6a]C)(CF3)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCC)	C(CC[6a]C)(CF3)(CC)	C(C[6a]C[6a]2)(CC)	179.4140	0.000	1	179.4140	0.000	1	177.8313	2.226	3	177.0320	4.039	4	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:4:2:	3:2:	C-2:C-3:	C-3:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(CCC)	C(CC[6a]C)(CH3)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCC)	C(CC[6a]C)(CH3)(CC)	C(C[6a]C[6a]2)(CC)	177.6290	0.000	1	177.6290	0.000	1	177.8313	2.226	3	177.0320	4.039	4	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:4:2:	3:2:	C-2:C-3:	C-3:C-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(CCC)	C(CC[6a]H)(CCHH)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCC)	C(CC[6a]H)(CCHH)(CC)	C(C[6a]C[6a]2)(CC)	176.4510	0.000	1	176.4510	0.000	1	177.8313	2.226	3	177.0320	4.039	4	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	3:4:2:	3:2:	C-2:C-3:	C-3:Si-4:C-2:	C[6a]-3:C-2:	C(CC[6a])(CSiC)	C(CC[6a]C[5])(SiC3)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CSiC)	C(CC[6a]C[5])(SiC3)(CC)	C(C[6a]C[6a]2)(CC)	174.6340	0.000	1	174.6340	0.000	1	174.6340	0.000	1	177.0320	4.039	4	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	4:2:1:	3:2:	C-2:C-3:	C-4:C-2:O-1:	C[6a]-3:C-2:	C(CC[6a])(CCO)	C(CCHH)(CC)(O)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCO)	C(CCHH)(CC)(O)	C(C[6a]C[6a]2)(CC)	169.3770	0.000	1	169.3770	0.000	1	174.3537	8.885	6	174.3537	8.885	6	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	4:2:1:	3:2:	C-2:C-3:	C-4:C-2:O-1:	C[6a]-3:C-2:	C(CC[6a])(CCO)	C(CC[5a]HH)(CC)(O)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCO)	C(CC[5a]HH)(CC)(O)	C(C[6a]C[6a]2)(CC)	176.0010	1.801	3	176.0010	3.243	3	174.3537	8.885	6	174.3537	8.885	6	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	4:2:1:	3:2:	C-2:C-3:	C-4:C-2:O-1:	C[6a]-3:C-2:	C(CC[6a])(CCO)	C(CH3)(CC)(O)	C(C[6a]C[6a,6a]C[6a])(CC)	C(CC[6a])(CCO)	C(CH3)(CC)(O)	C(C[6a]C[6a,6a]C[6a])(CC)	172.7850	0.000	1	172.7850	0.000	1	174.3537	8.885	6	174.3537	8.885	6	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	4:2:1:	3:2:	C-2:C-3:	C-4:C-2:O-1:	C[6a]-3:C-2:	C(CC[6a])(CCO)	C(CMo2C)(CC)(O)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCO)	C(CMo2C)(CC)(O)	C(C[6a]C[6a]2)(CC)	175.9570	0.000	1	175.9570	0.000	1	174.3537	8.885	6	174.3537	8.885	6	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	4:2:1:	4:2:	C-2:C-3:	C-4:C-2:O-1:	C[5]-4:C-2:	C(CC[5])(CCO)	C(CH3)(CC)(O)	C(C[5]C[5,6a]C[5]O)(CC)	C(CC[5])(CCO)	C(CH3)(CC)(O)	C(C[5]C[5,6a]C[5]O)(CC)	173.9910	0.000	1	173.9910	0.000	1	173.9910	0.000	1	173.9910	0.000	1	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	4:2:2:	3:2:	C-2:C-3:	C-4:C-2:C-2:	C[6a]-3:C-2:	C(CC[6a])(CCC)	C(CC3)(CC)2	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCC)	C(CC3)(CC)2	C(C[6a]C[6a]2)(CC)	173.7240	1.826	4	173.7240	3.336	4	173.7240	3.336	4	174.6006	6.344	5	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	4:2:2:	3:2:	C-2:C-3:	C-4:C-2:N-2:	C[6a]-3:C-2:	C(CC[6a])(CCN)	C(CH3)(CC)(NN)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCN)	C(CH3)(CC)(NN)	C(C[6a]C[6a]2)(CC)	178.1070	0.000	1	178.1070	0.000	1	178.1070	0.000	1	174.6006	6.344	5	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	4:3:2:	3:2:	C-2:C-3:	C-4:C-3:C-2:	C[6]-3:C-2:	C(CC[6])(CCC)	C(CCHH)(CHH)(CC)	C(C[6]C[6]2)(CC)	C(CC[6])(CCC)	C(CCHH)(CHH)(CC)	C(C[6]C[6]2)(CC)	175.5890	0.000	1	175.5890	0.000	1	176.5660	1.664	3	176.5519	5.892	9	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	4:3:2:	3:2:	C-2:C-3:	C-4:C-3:C-2:	C[6]-3:C-2:	C(CC[6])(CCC)	C(CH3)(CCH)(CC)	C(C[6]C[6]2)(CC)	C(CC[6])(CCC)	C(CH3)(CCH)(CC)	C(C[6]C[6]2)(CC)	177.0545	1.377	2	177.0545	1.895	2	176.5660	1.664	3	176.5519	5.892	9	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	4:3:2:	3:2:	C-2:C-3:	C-4:C-3:C-2:	C[6a]-3:C-2:	C(CC[6a])(CCC)	C(CCHH)(CCC)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCC)	C(CCHH)(CCC)(CC)	C(C[6a]C[6a]2)(CC)	179.1320	0.000	1	179.1320	0.000	1	177.8295	3.393	2	176.5519	5.892	9	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	4:3:2:	3:2:	C-2:C-3:	C-4:C-3:C-2:	C[6a]-3:C-2:	C(CC[6a])(CCC)	C(CCHH)(CFF)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCC)	C(CCHH)(CFF)(CC)	C(C[6a]C[6a]2)(CC)	176.5270	0.000	1	176.5270	0.000	1	177.8295	3.393	2	176.5519	5.892	9	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	4:3:2:	3:2:	C-2:C-3:	P-4:C-3:C-2:	C[6a]-3:C-2:	C(CC[6a])(CCP)	C(PC[6a]3)(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CCP)	C(PC[6a]3)(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CC)	179.4220	0.000	1	179.4220	0.000	1	179.4220	0.000	1	176.5519	5.892	9	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	4:3:2:	3:2:	C-2:C-3:	Si-4:C-3:C-2:	C[6a]-3:C-2:	C(CC[6a])(CSiC)	C(SiC3)(CCC)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CSiC)	C(SiC3)(CCC)(CC)	C(C[6a]C[6a]2)(CC)	175.1020	0.000	1	175.1020	0.000	1	174.7293	9.474	3	176.5519	5.892	9	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	4:3:2:	3:2:	C-2:C-3:	Si-4:C-3:C-2:	C[6a]-3:C-2:	C(CC[6a])(CSiC)	C(SiC[6a]2C)(CClC)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CSiC)	C(SiC[6a]2C)(CClC)(CC)	C(C[6a]C[6a]2)(CC)	177.6040	0.000	1	177.6040	0.000	1	174.7293	9.474	3	176.5519	5.892	9	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	4:3:2:	3:2:	C-2:C-3:	Si-4:C-3:C-2:	C[6a]-3:C-2:	C(CC[6a])(CSiC)	C(SiC[6a]3)(CC[6a]H)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a])(CSiC)	C(SiC[6a]3)(CC[6a]H)(CC)	C(C[6a]C[6a]2)(CC)	171.4820	0.000	1	171.4820	0.000	1	174.7293	9.474	3	176.5519	5.892	9	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	4:3:2:	4:2:	C-2:C-3:	C-4:C-3:C-2:	C[6]-4:C-2:	C(CC[6])(CCC)	C(CH3)(CHH)(CC)	C(C[6]C[6]2O)(CC)	C(CC[6])(CCC)	C(CH3)(CHH)(CC)	C(C[6]C[6]2O)(CC)	175.6220	0.363	2	175.6220	0.132	2	175.6220	0.132	2	176.4257	2.004	3	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	2:3:	4:3:2:	4:2:	C-2:C-3:	C-4:C-3:C-2:	P[5]-4:C-2:	C(CP[5])(CCC)	C(CH3)(CHH)(CC)	C(P[5]C[6a]C[5]2)(CC)	C(CP[5])(CCC)	C(CH3)(CHH)(CC)	C(P[5]C[6a]C[5]2)(CC)	178.0330	0.000	1	178.0330	0.000	1	178.0330	0.000	1	176.4257	2.004	3	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	2:1:1:	2:1:	C-3:C-2:	C-2:O-1:O-1:	C-2:H-1:	C(COO)(CH)	C(CC)(O)2	C(CC)(H)	C(COO)(CH)	C(CC)(O)2	C(CC)(H)	179.6790	0.000	1	179.6790	0.000	1	179.6790	0.000	1	179.6790	0.000	1	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	2:1:1:	2:2:	C-3:C-2:	C-2:O-1:O-1:	C-2:C-2:	C(COO)(CC)	C(CC)(O)2	C(CC)2	C(COO)(CC)	C(CC)(O)2	C(CC)2	112.5340	0.228	2	112.5340	0.052	2	112.5340	0.052	2	112.5340	0.052	2	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	2:1:1:	3:2:	C-3:C-2:	C-2:O-1:O-1:	C-3:C-2:	C(COO)(CC)	C(CC)(O)2	C(COO)(CC)	C(COO)(CC)	C(CC)(O)2	C(COO)(CC)	173.9843	14.169	15	173.9843	200.758	15	173.9843	200.758	15	173.9843	200.758	15	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	2:1:1:	4:2:	C-3:C-2:	C-2:O-1:O-1:	C-4:C-2:	C(COO)(CC)	C(CC)(O)2	C(CH3)(CC)	C(COO)(CC)	C(CC)(O)2	C(CH3)(CC)	176.9760	1.288	3	176.9760	1.660	3	176.6290	1.588	4	176.6290	1.588	4	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	2:1:1:	4:2:	C-3:C-2:	C-2:O-1:O-1:	C-4:C-2:	C(COO)(CC)	C(CC)(O)2	C(CNiOO)(CC)	C(COO)(CC)	C(CC)(O)2	C(CNiOO)(CC)	175.5880	0.000	1	175.5880	0.000	1	176.6290	1.588	4	176.6290	1.588	4	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	2:2:1:	2:1:	C-3:C-2:	C-2:O-2:O-1:	C-2:H-1:	C(COO)(CH)	C(CC)(OH)(O)	C(CC)(H)	C(COO)(CH)	C(CC)(OH)(O)	C(CC)(H)	176.8377	1.253	7	176.8377	1.569	7	176.8377	1.569	7	176.8178	1.653	9	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	2:2:1:	2:1:	C-3:C-2:	O-2:C-2:O-1:	C-2:H-1:	C(COO)(CH)	C(OC[6a])(CC)(O)	C(CC)(H)	C(COO)(CH)	C(OC[6a])(CC)(O)	C(CC)(H)	176.7480	1.949	2	176.7480	3.798	2	176.7480	3.798	2	176.8178	1.653	9	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	2:2:1:	2:2:	C-3:C-2:	C-2:C-2:C-1:	C-2:C-2:	C(CCC)(CC)	C(CC)(CN)(C)	C(CC)(CN)	C(CCC)(CC)	C(CC)(CN)(C)	C(CC)(CN)	111.6910	0.000	1	111.6910	0.000	1	111.6910	0.000	1	148.9924	1279.690	5	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	2:2:1:	2:2:	C-3:C-2:	C-2:N-2:C-1:	C-2:C-2:	C(CCN)(CC)	C(CC)(NN)(C)	C(CC)2	C(CCN)(CC)	C(CC)(NN)(C)	C(CC)2	108.0040	0.000	1	108.0040	0.000	1	108.0040	0.000	1	148.9924	1279.690	5	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	2:2:1:	2:2:	C-3:C-2:	C-2:O-2:O-1:	C-2:C-2:	C(COO)(CC)	C(CC)(OC)(O)	C(CC)2	C(COO)(CC)	C(CC)(OC)(O)	C(CC)2	175.0890	1.452	3	175.0890	2.110	3	175.0890	2.110	3	148.9924	1279.690	5	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	2:2:1:	3:2:	C-3:C-2:	C-2:C-2:H-1:	C-3:C-2:	C(CCH)(CC)	C(CC)2(H)	C(CCH)(CC)	C(CCH)(CC)	C(CC)2(H)	C(CCH)(CC)	126.5750	0.000	1	126.5750	0.000	1	171.0324	385.159	7	175.0630	133.335	20	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	2:2:1:	3:2:	C-3:C-2:	C-2:C-2:H-1:	C-3:C-2:	C(CCH)(CC)	C(CC)2(H)	C(CC[6a]C)(CC)	C(CCH)(CC)	C(CC)2(H)	C(CC[6a]C)(CC)	178.4420	1.008	6	178.4420	1.016	6	171.0324	385.159	7	175.0630	133.335	20	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	2:2:1:	3:2:	C-3:C-2:	C-2:O-2:O-1:	C-3:C-2:	C(COO)(CC)	C(CC)(OC)(O)	C(CC[6a]C)(CC)	C(COO)(CC)	C(CC)(OC)(O)	C(CC[6a]C)(CC)	174.9450	0.000	1	174.9450	0.000	1	177.1577	4.078	3	175.0630	133.335	20	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	2:2:1:	3:2:	C-3:C-2:	C-2:O-2:O-1:	C-3:C-2:	C(COO)(CC)	C(CC)(OH)(O)	C(COO)(CC)	C(COO)(CC)	C(CC)(OH)(O)	C(COO)(CC)	178.2640	0.901	2	178.2640	0.812	2	177.1577	4.078	3	175.0630	133.335	20	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	2:2:1:	3:2:	C-3:C-2:	C-2:O-2:O-1:	N-3:C-2:	C(COO)(CN)	C(CC)(OC)(O)	C(NCS)(CC)	C(COO)(CN)	C(CC)(OC)(O)	C(NCS)(CC)	176.5470	0.000	1	176.5470	0.000	1	176.5470	0.000	1	175.0630	133.335	20	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	2:2:1:	3:2:	C-3:C-2:	O-2:C-2:O-1:	C-3:C-2:	C(COO)(CC)	C(OMn)(CC)(O)	C(COO)(CC)	C(COO)(CC)	C(OMn)(CC)(O)	C(COO)(CC)	177.1015	2.230	8	177.1015	4.973	8	177.3347	4.841	9	175.0630	133.335	20	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	2:2:1:	3:2:	C-3:C-2:	O-2:C-2:O-1:	C-3:C-2:	C(COO)(CC)	C(ONi)(CC)(O)	C(COO)(CC)	C(COO)(CC)	C(ONi)(CC)(O)	C(COO)(CC)	179.2000	0.000	1	179.2000	0.000	1	177.3347	4.841	9	175.0630	133.335	20	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	2:2:1:	4:2:	C-3:C-2:	C-2:O-2:O-1:	C-4:C-2:	C(COO)(CC)	C(CC)(OC)(O)	C(CCCO)(CC)	C(COO)(CC)	C(CC)(OC)(O)	C(CCCO)(CC)	177.6530	0.308	2	177.6530	0.095	2	176.8791	3.537	17	176.7658	3.560	18	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	2:2:1:	4:2:	C-3:C-2:	C-2:O-2:O-1:	C-4:C-2:	C(COO)(CC)	C(CC)(OC)(O)	C(CCHH)(CC)	C(COO)(CC)	C(CC)(OC)(O)	C(CCHH)(CC)	170.1190	0.000	1	170.1190	0.000	1	176.8791	3.537	17	176.7658	3.560	18	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	2:2:1:	4:2:	C-3:C-2:	C-2:O-2:O-1:	C-4:C-2:	C(COO)(CC)	C(CC)(OC)(O)	C(CCHO)(CC)	C(COO)(CC)	C(CC)(OC)(O)	C(CCHO)(CC)	178.6610	0.000	1	178.6610	0.000	1	176.8791	3.537	17	176.7658	3.560	18	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	2:2:1:	4:2:	C-3:C-2:	C-2:O-2:O-1:	C-4:C-2:	C(COO)(CC)	C(CC)(OC)(O)	C(CC[3,6]HO)(CC)	C(COO)(CC)	C(CC)(OC)(O)	C(CC[3,6]HO)(CC)	177.5840	0.000	1	177.5840	0.000	1	176.8791	3.537	17	176.7658	3.560	18	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	2:2:1:	4:2:	C-3:C-2:	C-2:O-2:O-1:	C-4:C-2:	C(COO)(CC)	C(CC)(OC)(O)	C(CFe2C)(CC)	C(COO)(CC)	C(CC)(OC)(O)	C(CFe2C)(CC)	178.3650	0.000	1	178.3650	0.000	1	176.8791	3.537	17	176.7658	3.560	18	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	2:2:1:	4:2:	C-3:C-2:	C-2:O-2:O-1:	C-4:C-2:	C(COO)(CC)	C(CC)(OH)(O)	C(CH3)(CC)	C(COO)(CC)	C(CC)(OH)(O)	C(CH3)(CC)	176.9917	0.599	11	176.9917	0.359	11	176.8791	3.537	17	176.7658	3.560	18	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	2:2:1:	4:2:	C-3:C-2:	O-2:C-2:O-1:	C-4:C-2:	C(COO)(CC)	C(OC[6])(CC)(O)	C(CH3)(CC)	C(COO)(CC)	C(OC[6])(CC)(O)	C(CH3)(CC)	174.8410	0.000	1	174.8410	0.000	1	174.8410	0.000	1	176.7658	3.560	18	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	2:2:2:	4:2:	C-3:C-2:	P-2:C-2:C-2:	Si-4:C-2:	C(CCP)(CSi)	C(PC[6a])(CC)2	C(SiC3)(CC)	C(CCP)(CSi)	C(PC[6a])(CC)2	C(SiC3)(CC)	178.0190	0.000	1	178.0190	0.000	1	178.0190	0.000	1	178.0190	0.000	1	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	2:3:2:	2:2:	C-3:C-2:	Se-2:C-3:C-2:	C-2:C-2:	C(CSeC)(CC)	C(SeC[6a])(CSeC)(CC)	C(CC)(CW)	C(CSeC)(CC)	C(SeC[6a])(CSeC)(CC)	C(CC)(CW)	175.0440	0.000	1	175.0440	0.000	1	175.0440	0.000	1	175.0440	0.000	1	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	2:1:	C-3:C-2:	C-3:C-2:H-1:	C-2:H-1:	C(CCH)(CH)	C(CCH)(CC)(H)	C(CC)(H)	C(CCH)(CH)	C(CCH)(CC)(H)	C(CC)(H)	153.1537	20.190	3	153.1537	407.634	3	157.8316	342.729	5	164.9959	385.717	19	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	2:1:	C-3:C-2:	C-3:C-2:H-1:	C-2:H-1:	C(CCH)(CH)	C(CC[6a]C)(CC)(H)	C(CC)(H)	C(CCH)(CH)	C(CC[6a]C)(CC)(H)	C(CC)(H)	178.8400	0.000	1	178.8400	0.000	1	157.8316	342.729	5	164.9959	385.717	19	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	2:1:	C-3:C-2:	C-3:C-2:H-1:	C-2:H-1:	C(CCH)(CH)	C(CHH)(CC)(H)	C(CC)(H)	C(CCH)(CH)	C(CHH)(CC)(H)	C(CC)(H)	150.8570	0.000	1	150.8570	0.000	1	157.8316	342.729	5	164.9959	385.717	19	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	2:1:	C-3:C-2:	C[6]-3:C-2:Br-1:	C-2:N-1:	C(CC[6]Br)(CN)	C(C[6]C[6]2)(CC)(Br)	C(CC)(N)	C(CC[6]Br)(CN)	C(C[6]C[6]2)(CC)(Br)	C(CC)(N)	120.5890	0.686	2	120.5890	0.470	2	120.5890	0.470	2	164.9959	385.717	19	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	2:1:	C-3:C-2:	C[6a]-3:C-2:O-1:	C-2:H-1:	C(CC[6a]O)(CH)	C(C[6a]C[6a]2)(CC)(O)	C(CC)(H)	C(CC[6a]O)(CH)	C(C[6a]C[6a]2)(CC)(O)	C(CC)(H)	178.3130	0.709	3	178.3130	0.503	3	178.3130	0.503	3	164.9959	385.717	19	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	2:1:	C-3:C-2:	N-3:C-2:O-1:	C-2:H-1:	C(CNO)(CH)	C(NCH)(CC)(O)	C(CC)(H)	C(CNO)(CH)	C(NCH)(CC)(O)	C(CC)(H)	176.8120	0.000	1	176.8120	0.000	1	175.0380	6.294	2	164.9959	385.717	19	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	2:1:	C-3:C-2:	N-3:C-2:O-1:	C-2:H-1:	C(CNO)(CH)	C(NC[6a]C)(CC)(O)	C(CC)(H)	C(CNO)(CH)	C(NC[6a]C)(CC)(O)	C(CC)(H)	173.2640	0.000	1	173.2640	0.000	1	175.0380	6.294	2	164.9959	385.717	19	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	2:1:	C-3:C-2:	N-3:C-2:O-1:	C-2:I-1:	C(CNO)(CI)	C(NCH)(CC)(O)	C(CC)(I)	C(CNO)(CI)	C(NCH)(CC)(O)	C(CC)(I)	170.2120	0.000	1	170.2120	0.000	1	174.0645	29.684	2	164.9959	385.717	19	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	2:1:	C-3:C-2:	N-3:C-2:O-1:	C-2:I-1:	C(CNO)(CI)	C(NHH)(CC)(O)	C(CC)(I)	C(CNO)(CI)	C(NHH)(CC)(O)	C(CC)(I)	177.9170	0.000	1	177.9170	0.000	1	174.0645	29.684	2	164.9959	385.717	19	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	2:1:	C-3:C-2:	N[5]-3:C-2:O-1:	C-2:I-1:	C(CN[5]O)(CI)	C(N[5]C[5]2)(CC)(O)	C(CC)(I)	C(CN[5]O)(CI)	C(N[5]C[5]2)(CC)(O)	C(CC)(I)	175.8250	0.000	1	175.8250	0.000	1	175.8250	0.000	1	164.9959	385.717	19	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	2:1:	C-3:C-2:	N[6]-3:C-2:O-1:	C-2:H-1:	C(CN[6]O)(CH)	C(N[6]C[6]2)(CC)(O)	C(CC)(H)	C(CN[6]O)(CH)	C(N[6]C[6]2)(CC)(O)	C(CC)(H)	174.3500	0.501	2	174.3500	0.251	2	174.3500	0.251	2	164.9959	385.717	19	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	2:1:	C-3:C-2:	N[6]-3:C-2:O-1:	C-2:I-1:	C(CN[6]O)(CI)	C(N[6]C[6]2)(CC)(O)	C(CC)(I)	C(CN[6]O)(CI)	C(N[6]C[6]2)(CC)(O)	C(CC)(I)	173.4585	0.019	2	173.4585	0.000	2	173.4585	0.000	2	164.9959	385.717	19	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	2:2:	C-3:C-2:	C-3:C-2:H-1:	C-2:C-2:	C(CCH)(CC)	C(CCC)(CC)(H)	C(CC)2	C(CCH)(CC)	C(CCC)(CC)(H)	C(CC)2	175.2702	1.950	11	175.2702	3.802	11	176.2096	3.720	22	176.1805	3.407	24	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	2:2:	C-3:C-2:	C-3:C-2:H-1:	C-2:C-2:	C(CCH)(CC)	C(CCH)(CC)(H)	C(CC)2	C(CCH)(CC)	C(CCH)(CC)(H)	C(CC)2	177.0085	1.435	10	177.0085	2.058	10	176.2096	3.720	22	176.1805	3.407	24	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	2:2:	C-3:C-2:	C-3:C-2:H-1:	C-2:C-2:	C(CCH)(CC)	C(CCN)(CC)(H)	C(CC)(CN)	C(CCH)(CC)	C(CCN)(CC)(H)	C(CC)(CN)	178.5550	0.000	1	178.5550	0.000	1	176.2096	3.720	22	176.1805	3.407	24	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	2:2:	C-3:C-2:	C[5]-3:C-2:H-1:	C-2:C-2:	C(CC[5]H)(CC)	C(C[5]C[5]O[5])(CC)(H)	C(CC)2	C(CC[5]H)(CC)	C(C[5]C[5]O[5])(CC)(H)	C(CC)2	175.8600	0.023	2	175.8600	0.001	2	175.8600	0.001	2	176.1805	3.407	24	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	3:2:	C-3:C-2:	C-3:C-2:H-1:	C-3:C-2:	C(CCH)(CC)	C(CCH)(CC)(H)	C(CCH)(CC)	C(CCH)(CC)	C(CCH)(CC)(H)	C(CCH)(CC)	122.8212	1.093	6	122.8212	1.196	6	134.3729	474.538	10	163.7943	487.625	35	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	3:2:	C-3:C-2:	C-3:C-2:H-1:	C-3:C-2:	C(CCH)(CC)	C(CCN)(CC)(H)	C(CCH)(CC)	C(CCH)(CC)	C(CCN)(CC)(H)	C(CCH)(CC)	129.2900	0.000	1	129.2900	0.000	1	134.3729	474.538	10	163.7943	487.625	35	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	3:2:	C-3:C-2:	C-3:C-2:H-1:	C-3:C-2:	C(CCH)(CC)	C(CC[6a]2)(CC)(H)	C(CCH)(CC)	C(CCH)(CC)	C(CC[6a]2)(CC)(H)	C(CCH)(CC)	174.0380	0.000	1	174.0380	0.000	1	134.3729	474.538	10	163.7943	487.625	35	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	3:2:	C-3:C-2:	C-3:C-2:H-1:	C-3:C-2:	C(CCH)(CC)	C(CC[6a]H)(CC)(H)	C(CC[6a]O)(CC)	C(CCH)(CC)	C(CC[6a]H)(CC)(H)	C(CC[6a]O)(CC)	176.8570	0.000	1	176.8570	0.000	1	134.3729	474.538	10	163.7943	487.625	35	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	3:2:	C-3:C-2:	C-3:C-2:H-1:	C-3:C-2:	C(CCH)(CC)	C(COO)(CC)(H)	C(CCH)(CC)	C(CCH)(CC)	C(COO)(CC)(H)	C(CCH)(CC)	126.6170	0.000	1	126.6170	0.000	1	134.3729	474.538	10	163.7943	487.625	35	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	3:2:	C-3:C-2:	C[5]-3:C-2:Cl-1:	C[6a]-3:C-2:	C(CC[5]Cl)(CC[6a])	C(C[5]C[5]N[5])(CC)(Cl)	C(C[6a]C[6a]2)(CC)	C(CC[5]Cl)(CC[6a])	C(C[5]C[5]N[5])(CC)(Cl)	C(C[6a]C[6a]2)(CC)	175.6805	1.630	2	175.6805	2.657	2	175.6805	2.657	2	163.7943	487.625	35	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	3:2:	C-3:C-2:	C[5]-3:C-2:H-1:	C[5a]-3:C-2:	C(CC[5]H)(CC[5a])	C(C[5]C[5,6]C[5])(CC)(H)	C(C[5a]C[5a]S[5a])(CC)	C(CC[5]H)(CC[5a])	C(C[5]C[5,6]C[5])(CC)(H)	C(C[5a]C[5a]S[5a])(CC)	175.5040	0.000	1	175.5040	0.000	1	175.5040	0.000	1	163.7943	487.625	35	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	3:2:	C-3:C-2:	C[5]-3:C-2:H-1:	C[6a]-3:C-2:	C(CC[5]H)(CC[6a])	C(C[5]C[5,6]C[5])(CC)(H)	C(C[6a]C[6a]2)(CC)	C(CC[5]H)(CC[6a])	C(C[5]C[5,6]C[5])(CC)(H)	C(C[6a]C[6a]2)(CC)	177.7280	0.000	1	177.7280	0.000	1	176.1096	4.817	5	163.7943	487.625	35	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	3:2:	C-3:C-2:	C[5]-3:C-2:H-1:	C[6a]-3:C-2:	C(CC[5]H)(CC[6a])	C(C[5]C[5]2)(CC)(H)	C(C[6a]C[6a]2)(CC)	C(CC[5]H)(CC[6a])	C(C[5]C[5]2)(CC)(H)	C(C[6a]C[6a]2)(CC)	176.9460	2.087	2	176.9460	4.357	2	176.1096	4.817	5	163.7943	487.625	35	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	3:2:	C-3:C-2:	C[5]-3:C-2:H-1:	C[6a]-3:C-2:	C(CC[5]H)(CC[6a])	C(C[5]S[5]2)(CC)(H)	C(C[6a]C[6a]2)(CC)	C(CC[5]H)(CC[6a])	C(C[5]S[5]2)(CC)(H)	C(C[6a]C[6a]2)(CC)	174.4640	2.341	2	174.4640	5.478	2	176.1096	4.817	5	163.7943	487.625	35	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	3:2:	C-3:C-2:	C[6]-3:C-2:H-1:	C[6a]-3:C-2:	C(CC[6]H)(CC[6a])	C(C[6]C[6]2)(CC)(H)	C(C[6a]C[6a]2)(CC)	C(CC[6]H)(CC[6a])	C(C[6]C[6]2)(CC)(H)	C(C[6a]C[6a]2)(CC)	172.4345	2.838	2	172.4345	8.052	2	172.4345	8.052	2	163.7943	487.625	35	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	3:2:	C-3:C-2:	C[6a]-3:C-2:O-1:	C-3:C-2:	C(CC[6a]O)(CC)	C(C[6a]C[6a]2)(CC)(O)	C(CCH)(CC)	C(CC[6a]O)(CC)	C(C[6a]C[6a]2)(CC)(O)	C(CCH)(CC)	178.3240	0.000	1	178.3240	0.000	1	178.3240	0.000	1	163.7943	487.625	35	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	3:2:	C-3:C-2:	C[6a]-3:C-2:O-1:	C[5]-3:C-2:	C(CC[6a]O)(CC[5])	C(C[6a]C[6a]2)(CC)(O)	C(C[5]C[5]2)(CC)	C(CC[6a]O)(CC[5])	C(C[6a]C[6a]2)(CC)(O)	C(C[5]C[5]2)(CC)	172.6970	3.946	4	172.6970	15.574	4	172.6970	15.574	4	163.7943	487.625	35	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	3:2:	C-3:C-2:	C[6a]-3:C-2:O-1:	C[5a]-3:C-2:	C(CC[6a]O)(CC[5a])	C(C[6a]C[6a]2)(CC)(O)	C(C[5a]C[5a]N[5a])(CC)	C(CC[6a]O)(CC[5a])	C(C[6a]C[6a]2)(CC)(O)	C(C[5a]C[5a]N[5a])(CC)	173.9590	0.000	1	173.9590	0.000	1	174.5210	0.632	2	163.7943	487.625	35	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	3:2:	C-3:C-2:	C[6a]-3:C-2:O-1:	C[5a]-3:C-2:	C(CC[6a]O)(CC[5a])	C(C[6a]C[6a]2)(CC)(O)	C(C[5a]C[5a]O[5a])(CC)	C(CC[6a]O)(CC[5a])	C(C[6a]C[6a]2)(CC)(O)	C(C[5a]C[5a]O[5a])(CC)	175.0830	0.000	1	175.0830	0.000	1	174.5210	0.632	2	163.7943	487.625	35	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	3:2:	C-3:C-2:	C[6a]-3:C-2:O-1:	C[6a]-3:C-2:	C(CC[6a]O)(CC[6a])	C(C[6a]C[6a,6a]C[6a])(CC)(O)	C(C[6a]C[6a]2)(CC)	C(CC[6a]O)(CC[6a])	C(C[6a]C[6a,6a]C[6a])(CC)(O)	C(C[6a]C[6a]2)(CC)	173.5940	0.000	1	173.5940	0.000	1	177.1473	3.640	7	163.7943	487.625	35	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	3:2:	C-3:C-2:	C[6a]-3:C-2:O-1:	C[6a]-3:C-2:	C(CC[6a]O)(CC[6a])	C(C[6a]C[6a]2)(CC)(O)	C(C[6a]C[6a]2)(CC)	C(CC[6a]O)(CC[6a])	C(C[6a]C[6a]2)(CC)(O)	C(C[6a]C[6a]2)(CC)	177.7395	1.193	6	177.7395	1.422	6	177.1473	3.640	7	163.7943	487.625	35	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	3:2:	C-3:C-2:	C[6a]-3:C-2:O-1:	N-3:C-2:	C(CC[6a]O)(CN)	C(C[6a]C[6a]2)(CC)(O)	C(NC[6a]S)(CC)	C(CC[6a]O)(CN)	C(C[6a]C[6a]2)(CC)(O)	C(NC[6a]S)(CC)	178.6050	0.000	1	178.6050	0.000	1	178.6050	0.000	1	163.7943	487.625	35	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	4:2:	C-3:C-2:	C-3:C-2:F-1:	Si-4:C-2:	C(CCF)(CSi)	C(CFN)(CC)(F)	C(SiC3)(CC)	C(CCF)(CSi)	C(CFN)(CC)(F)	C(SiC3)(CC)	178.8090	0.000	1	178.8090	0.000	1	178.8090	0.000	1	175.2543	9.115	89	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	4:2:	C-3:C-2:	C-3:C-2:H-1:	C-4:C-2:	C(CCH)(CC)	C(CCH)(CC)(H)	C(CCHO)(CC)	C(CCH)(CC)	C(CCH)(CC)(H)	C(CCHO)(CC)	179.2670	0.000	1	179.2670	0.000	1	173.2591	9.538	36	175.2543	9.115	89	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	4:2:	C-3:C-2:	C-3:C-2:H-1:	C-4:C-2:	C(CCH)(CC)	C(CCH)(CC)(H)	C(CC[5]HH)(CC)	C(CCH)(CC)	C(CCH)(CC)(H)	C(CC[5]HH)(CC)	166.0535	0.425	2	166.0535	0.181	2	173.2591	9.538	36	175.2543	9.115	89	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	4:2:	C-3:C-2:	C-3:C-2:H-1:	C-4:C-2:	C(CCH)(CC)	C(CCH)(CC)(H)	C(CC[6]HH)(CC)	C(CCH)(CC)	C(CCH)(CC)(H)	C(CC[6]HH)(CC)	167.8267	0.377	3	167.8267	0.142	3	173.2591	9.538	36	175.2543	9.115	89	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	4:2:	C-3:C-2:	C-3:C-2:H-1:	C-4:C-2:	C(CCH)(CC)	C(CCH)(CC)(H)	C(CC[6]HO)(CC)	C(CCH)(CC)	C(CCH)(CC)(H)	C(CC[6]HO)(CC)	175.7680	0.759	2	175.7680	0.577	2	173.2591	9.538	36	175.2543	9.115	89	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	4:2:	C-3:C-2:	C-3:C-2:H-1:	C-4:C-2:	C(CCH)(CC)	C(CCH)(CC)(H)	C(CHHN)(CC)	C(CCH)(CC)	C(CCH)(CC)(H)	C(CHHN)(CC)	173.8153	1.662	26	173.8153	2.761	26	173.2591	9.538	36	175.2543	9.115	89	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	4:2:	C-3:C-2:	C-3:C-2:H-1:	C-4:C-2:	C(CCH)(CC)	C(CC[6a]2)(CC)(H)	C(CC[6a]2C[5])(CC)	C(CCH)(CC)	C(CC[6a]2)(CC)(H)	C(CC[6a]2C[5])(CC)	175.8700	1.013	2	175.8700	1.025	2	173.2591	9.538	36	175.2543	9.115	89	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	4:2:	C-3:C-2:	C-3:C-2:H-1:	P-4:C-2:	C(CCH)(CP)	C(CCH)(CC)(H)	C(PO3)(CC)	C(CCH)(CP)	C(CCH)(CC)(H)	C(PO3)(CC)	178.1830	0.000	1	178.1830	0.000	1	178.1830	0.000	1	175.2543	9.115	89	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	4:2:	C-3:C-2:	C-3:C-2:H-1:	Si-4:C-2:	C(CCH)(CSi)	C(CCS)(CC)(H)	C(SiC3)(CC)	C(CCH)(CSi)	C(CCS)(CC)(H)	C(SiC3)(CC)	177.7584	1.280	10	177.7584	1.637	10	176.9240	3.913	32	175.2543	9.115	89	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	4:2:	C-3:C-2:	C-3:C-2:H-1:	Si-4:C-2:	C(CCH)(CSi)	C(CC[5,6]H)(CC)(H)	C(SiC3)(CC)	C(CCH)(CSi)	C(CC[5,6]H)(CC)(H)	C(SiC3)(CC)	177.1720	0.000	1	177.1720	0.000	1	176.9240	3.913	32	175.2543	9.115	89	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	4:2:	C-3:C-2:	C-3:C-2:H-1:	Si-4:C-2:	C(CCH)(CSi)	C(CC[5]S)(CC)(H)	C(SiC3)(CC)	C(CCH)(CSi)	C(CC[5]S)(CC)(H)	C(SiC3)(CC)	177.7458	0.832	4	177.7458	0.692	4	176.9240	3.913	32	175.2543	9.115	89	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	4:2:	C-3:C-2:	C-3:C-2:H-1:	Si-4:C-2:	C(CCH)(CSi)	C(CC[5a]S)(CC)(H)	C(SiC3)(CC)	C(CCH)(CSi)	C(CC[5a]S)(CC)(H)	C(SiC3)(CC)	176.9637	1.616	6	176.9637	2.611	6	176.9240	3.913	32	175.2543	9.115	89	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	4:2:	C-3:C-2:	C-3:C-2:H-1:	Si-4:C-2:	C(CCH)(CSi)	C(CC[6a]N)(CC)(H)	C(SiC3)(CC)	C(CCH)(CSi)	C(CC[6a]N)(CC)(H)	C(SiC3)(CC)	178.6150	1.121	2	178.6150	1.258	2	176.9240	3.913	32	175.2543	9.115	89	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	4:2:	C-3:C-2:	C-3:C-2:H-1:	Si-4:C-2:	C(CCH)(CSi)	C(CC[6a]S)(CC)(H)	C(SiC3)(CC)	C(CCH)(CSi)	C(CC[6a]S)(CC)(H)	C(SiC3)(CC)	174.3087	2.355	6	174.3087	5.545	6	176.9240	3.913	32	175.2543	9.115	89	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	4:2:	C-3:C-2:	C-3:C-2:H-1:	Si-4:C-2:	C(CCH)(CSi)	C(CSiC)(CC)(H)	C(SiC3)(CC)	C(CCH)(CSi)	C(CSiC)(CC)(H)	C(SiC3)(CC)	176.9883	1.724	3	176.9883	2.973	3	176.9240	3.913	32	175.2543	9.115	89	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	4:2:	C-3:C-2:	C-3:C-2:O-1:	Si-4:C-2:	C(CCO)(CSi)	C(CC[6a]C)(CC)(O)	C(SiC3)(CC)	C(CCO)(CSi)	C(CC[6a]C)(CC)(O)	C(SiC3)(CC)	172.1340	0.000	1	172.1340	0.000	1	172.1340	0.000	1	175.2543	9.115	89	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	4:2:	C-3:C-2:	C[5]-3:C-2:H-1:	Si-4:C-2:	C(CC[5]H)(CSi)	C(C[5]C[5]2)(CC)(H)	C(SiC3)(CC)	C(CC[5]H)(CSi)	C(C[5]C[5]2)(CC)(H)	C(SiC3)(CC)	174.1290	0.000	1	174.1290	0.000	1	174.1290	0.000	1	175.2543	9.115	89	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	4:2:	C-3:C-2:	C[6]-3:C-2:H-1:	C-4:C-2:	C(CC[6]H)(CC)	C(C[6]C[6]2)(CC)(H)	C(CCHH)(CC)	C(CC[6]H)(CC)	C(C[6]C[6]2)(CC)(H)	C(CCHH)(CC)	176.1740	0.000	1	176.1740	0.000	1	176.1740	0.000	1	175.2543	9.115	89	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	4:2:	C-3:C-2:	C[6a]-3:C-2:O-1:	C-4:C-2:	C(CC[6a]O)(CC)	C(C[6a]C[6a,6a]C[6a])(CC)(O)	C(CH3)(CC)	C(CC[6a]O)(CC)	C(C[6a]C[6a,6a]C[6a])(CC)(O)	C(CH3)(CC)	177.1885	1.368	2	177.1885	1.872	2	177.3020	3.307	4	175.2543	9.115	89	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	4:2:	C-3:C-2:	C[6a]-3:C-2:O-1:	C-4:C-2:	C(CC[6a]O)(CC)	C(C[6a]C[6a]2)(CC)(O)	C(CC[6a]2C)(CC)	C(CC[6a]O)(CC)	C(C[6a]C[6a]2)(CC)(O)	C(CC[6a]2C)(CC)	179.4150	0.000	1	179.4150	0.000	1	177.3020	3.307	4	175.2543	9.115	89	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	4:2:	C-3:C-2:	C[6a]-3:C-2:O-1:	C-4:C-2:	C(CC[6a]O)(CC)	C(C[6a]C[6a]2)(CC)(O)	C(CHHO)(CC)	C(CC[6a]O)(CC)	C(C[6a]C[6a]2)(CC)(O)	C(CHHO)(CC)	175.4160	0.000	1	175.4160	0.000	1	177.3020	3.307	4	175.2543	9.115	89	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	4:2:	C-3:C-2:	C[6a]-3:C-2:O-1:	C[5]-4:C-2:	C(CC[6a]O)(CC[5])	C(C[6a]C[6a]2)(CC)(O)	C(C[5]C[5,6a]2C)(CC)	C(CC[6a]O)(CC[5])	C(C[6a]C[6a]2)(CC)(O)	C(C[5]C[5,6a]2C)(CC)	174.3635	2.563	2	174.3635	6.570	2	176.1671	3.662	11	175.2543	9.115	89	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	4:2:	C-3:C-2:	C[6a]-3:C-2:O-1:	C[5]-4:C-2:	C(CC[6a]O)(CC[5])	C(C[6a]C[6a]2)(CC)(O)	C(C[5]C[5]2Fe)(CC)	C(CC[6a]O)(CC[5])	C(C[6a]C[6a]2)(CC)(O)	C(C[5]C[5]2Fe)(CC)	176.5679	1.662	9	176.5679	2.762	9	176.1671	3.662	11	175.2543	9.115	89	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:1:	4:2:	C-3:C-2:	N-3:C-2:O-1:	C-4:C-2:	C(CNO)(CC)	C(NC[6a]H)(CC)(O)	C(CCHH)(CC)	C(CNO)(CC)	C(NC[6a]H)(CC)(O)	C(CCHH)(CC)	172.2670	0.000	1	172.2670	0.000	1	172.2670	0.000	1	175.2543	9.115	89	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:2:	2:1:	C-3:C-2:	C-3:C-2:C-2:	C-2:H-1:	C(CCC)(CH)	C(CCC)(CC)2	C(CC)(H)	C(CCC)(CH)	C(CCC)(CC)2	C(CC)(H)	178.3980	0.000	1	178.3980	0.000	1	177.3755	2.091	2	177.1815	0.815	4	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:2:	2:1:	C-3:C-2:	C-3:C-2:C-2:	C-2:H-1:	C(CCC)(CH)	C(CC[6a]2)(CC)2	C(CC)(H)	C(CCC)(CH)	C(CC[6a]2)(CC)2	C(CC)(H)	176.3530	0.000	1	176.3530	0.000	1	177.3755	2.091	2	177.1815	0.815	4	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:2:	2:1:	C-3:C-2:	C-3:O-2:C-2:	C-2:H-1:	C(CCO)(CH)	C(CC[6a]H)(OC[5])(CC)	C(CC)(H)	C(CCO)(CH)	C(CC[6a]H)(OC[5])(CC)	C(CC)(H)	176.6690	0.000	1	176.6690	0.000	1	176.9875	0.203	2	177.1815	0.815	4	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:2:	2:1:	C-3:C-2:	C-3:O-2:C-2:	C-2:H-1:	C(CCO)(CH)	C(CC[6a]H)(OC[6])(CC)	C(CC)(H)	C(CCO)(CH)	C(CC[6a]H)(OC[6])(CC)	C(CC)(H)	177.3060	0.000	1	177.3060	0.000	1	176.9875	0.203	2	177.1815	0.815	4	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:2:	2:2:	C-3:C-2:	C-3:C-2:C-2:	C-2:C-2:	C(CCC)(CC)	C(CBr2)(CC)2	C(CC)2	C(CCC)(CC)	C(CBr2)(CC)2	C(CC)2	177.2160	0.000	1	177.2160	0.000	1	169.7890	46.015	16	170.3827	43.616	18	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:2:	2:2:	C-3:C-2:	C-3:C-2:C-2:	C-2:C-2:	C(CCC)(CC)	C(CCC)(CC)2	C(CC)2	C(CCC)(CC)	C(CCC)(CC)2	C(CC)2	169.2939	6.716	15	169.2939	45.100	15	169.7890	46.015	16	170.3827	43.616	18	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:2:	2:2:	C-3:C-2:	C-3:Se-2:C-2:	C-2:C-2:	C(CSeC)(CC)	C(CSeC)(SeC)(CC)	C(CC)(CW)	C(CSeC)(CC)	C(CSeC)(SeC)(CC)	C(CC)(CW)	174.6360	0.000	1	174.6360	0.000	1	174.6360	0.000	1	170.3827	43.616	18	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:2:	2:2:	C-3:C-2:	C[6a]-3:P-2:C-2:	C-2:C-2:	C(CC[6a]P)(CC)	C(C[6a]C[6a]2)(PC[6a])(CC)	C(CC)2	C(CC[6a]P)(CC)	C(C[6a]C[6a]2)(PC[6a])(CC)	C(CC)2	175.6280	0.000	1	175.6280	0.000	1	175.6280	0.000	1	170.3827	43.616	18	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:2:	3:2:	C-3:C-2:	C[5]-3:C-2:C-2:	C[6a]-3:C-2:	C(CC[5]C)(CC[6a])	C(C[5]C[5,6a]2)(CC)2	C(C[6a]C[6a]2)(CC)	C(CC[5]C)(CC[6a])	C(C[5]C[5,6a]2)(CC)2	C(C[6a]C[6a]2)(CC)	176.4517	1.274	6	176.4517	1.623	6	176.8909	1.251	10	177.4673	2.507	75	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:2:	3:2:	C-3:C-2:	C[5]-3:C-2:C-2:	C[6a]-3:C-2:	C(CC[5]C)(CC[6a])	C(C[5]S[5]2)(CC)2	C(C[6a]C[6a]2)(CC)	C(CC[5]C)(CC[6a])	C(C[5]S[5]2)(CC)2	C(C[6a]C[6a]2)(CC)	177.5498	0.287	4	177.5498	0.082	4	176.8909	1.251	10	177.4673	2.507	75	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:2:	3:2:	C-3:C-2:	C[5a]-3:C-2:C-2:	C-3:C-2:	C(CC[5a]C)(CC)	C(C[5a]C[5a,6a]C[5a])(CC)2	C(CC[6a]C)(CC)	C(CC[5a]C)(CC)	C(C[5a]C[5a,6a]C[5a])(CC)2	C(CC[6a]C)(CC)	176.1295	2.505	2	176.1295	6.276	2	176.1295	6.276	2	177.4673	2.507	75	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:2:	3:2:	C-3:C-2:	C[6a]-3:C-2:C-2:	C-3:C-2:	C(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CC)2	C(CCC)(CC)	C(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CC)2	C(CCC)(CC)	178.2755	0.810	12	178.2755	0.656	12	178.1950	0.994	46	177.4673	2.507	75	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:2:	3:2:	C-3:C-2:	C[6a]-3:C-2:C-2:	C-3:C-2:	C(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CC)2	C(CCH)(CC)	C(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CC)2	C(CCH)(CC)	177.9580	0.916	6	177.9580	0.839	6	178.1950	0.994	46	177.4673	2.507	75	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:2:	3:2:	C-3:C-2:	C[6a]-3:C-2:C-2:	C-3:C-2:	C(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CC)2	C(CC[5a]C)(CC)	C(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CC)2	C(CC[5a]C)(CC)	177.0320	0.363	2	177.0320	0.132	2	178.1950	0.994	46	177.4673	2.507	75	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:2:	3:2:	C-3:C-2:	C[6a]-3:C-2:C-2:	C-3:C-2:	C(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CC)2	C(CC[6a]C)(CC)	C(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CC)2	C(CC[6a]C)(CC)	178.3019	1.092	26	178.3019	1.192	26	178.1950	0.994	46	177.4673	2.507	75	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:2:	3:2:	C-3:C-2:	C[6a]-3:C-2:C-2:	C[6a]-3:C-2:	C(CC[6a]C)(CC[6a])	C(C[6a]C[6a,6a]2)(CC)2	C(C[6a]C[6a]2)(CC)	C(CC[6a]C)(CC[6a])	C(C[6a]C[6a,6a]2)(CC)2	C(C[6a]C[6a]2)(CC)	175.8752	1.848	16	175.8752	3.414	16	175.8752	3.414	16	177.4673	2.507	75	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:2:	3:2:	C-3:C-2:	C[6a]-3:C-2:N-2:	C[6a]-3:C-2:	C(CC[6a]N)(CC[6a])	C(C[6a]C[6a]2)(CC)(NO)	C(C[6a]C[6a]2)(CC)	C(CC[6a]N)(CC[6a])	C(C[6a]C[6a]2)(CC)(NO)	C(C[6a]C[6a]2)(CC)	177.9100	0.000	1	177.9100	0.000	1	177.9100	0.000	1	177.4673	2.507	75	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:2:	4:2:	C-3:C-2:	C-3:C-2:C-2:	C-4:C-2:	C(CCC)(CC)	C(CCC)(CC)2	C(CC[6a]2O)(CC)	C(CCC)(CC)	C(CCC)(CC)2	C(CC[6a]2O)(CC)	176.7372	1.855	6	176.7372	3.440	6	176.7372	3.440	6	174.5170	148.060	28	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:2:	4:2:	C-3:C-2:	C-3:C-2:C-2:	Si-4:C-2:	C(CCC)(CSi)	C(CCC)(CC)2	C(SiC3)(CC)	C(CCC)(CSi)	C(CCC)(CC)2	C(SiC3)(CC)	177.8327	1.504	3	177.8327	2.261	3	177.9378	1.264	5	174.5170	148.060	28	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:2:	4:2:	C-3:C-2:	C-3:C-2:C-2:	Si-4:C-2:	C(CCC)(CSi)	C(CC[6a]2)(CC)2	C(SiC3)(CC)	C(CCC)(CSi)	C(CC[6a]2)(CC)2	C(SiC3)(CC)	178.0955	0.671	2	178.0955	0.450	2	177.9378	1.264	5	174.5170	148.060	28	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:2:	4:2:	C-3:C-2:	C-3:C-2:O-2:	C-4:C-2:	C(CCO)(CC)	C(CHH)(CC)(OB)	C(CCHH)(CC)	C(CCO)(CC)	C(CHH)(CC)(OB)	C(CCHH)(CC)	178.2020	0.000	1	178.2020	0.000	1	178.2020	0.000	1	174.5170	148.060	28	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:2:	4:2:	C-3:C-2:	C-3:C-2:S-2:	Si-4:C-2:	C(CCS)(CSi)	C(CCH)(CC)(SC)	C(SiC3)(CC)	C(CCS)(CSi)	C(CCH)(CC)(SC)	C(SiC3)(CC)	176.6450	0.000	1	176.6450	0.000	1	178.0505	3.951	2	174.5170	148.060	28	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:2:	4:2:	C-3:C-2:	C-3:C-2:S-2:	Si-4:C-2:	C(CCS)(CSi)	C(CCS)(CC)(SC)	C(SiC[6a]3)(CC)	C(CCS)(CSi)	C(CCS)(CC)(SC)	C(SiC[6a]3)(CC)	179.4560	0.000	1	179.4560	0.000	1	178.0505	3.951	2	174.5170	148.060	28	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:2:	4:2:	C-3:C-2:	C-3:Ge-2:C-2:	Si-4:C-2:	C(CGeC)(CSi)	C(CGeSi)(GeN)(CC)	C(SiC3)(CC)	C(CGeC)(CSi)	C(CGeSi)(GeN)(CC)	C(SiC3)(CC)	176.9960	0.000	1	176.9960	0.000	1	176.9960	0.000	1	174.5170	148.060	28	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:2:	4:2:	C-3:C-2:	C-3:O-2:C-2:	C-4:C-2:	C(CCO)(CC)	C(CC[6a]C)(OC[6a])(CC)	C(CH3)(CC)	C(CCO)(CC)	C(CC[6a]C)(OC[6a])(CC)	C(CH3)(CC)	113.2200	0.000	1	113.2200	0.000	1	113.2200	0.000	1	174.5170	148.060	28	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:2:	4:2:	C-3:C-2:	C[5]-3:C-2:C-2:	Si-4:C-2:	C(CC[5]C)(CSi)	C(C[5]C[5,6a]2)(CC)2	C(SiC3)(CC)	C(CC[5]C)(CSi)	C(C[5]C[5,6a]2)(CC)2	C(SiC3)(CC)	175.8830	2.529	4	175.8830	6.393	4	175.8830	6.393	4	174.5170	148.060	28	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:2:	4:2:	C-3:C-2:	C[5a]-3:O-2:C-2:	Si-4:C-2:	C(CC[5a]O)(CSi)	C(C[5a]C[5a]N[5a])(ONi)(CC)	C(SiC3)(CC)	C(CC[5a]O)(CSi)	C(C[5a]C[5a]N[5a])(ONi)(CC)	C(SiC3)(CC)	175.1280	0.000	1	175.1280	0.000	1	175.1280	0.000	1	174.5170	148.060	28	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:2:	4:2:	C-3:C-2:	C[6a]-3:C-2:C-2:	C-4:C-2:	C(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CC)2	C(CCCO)(CC)	C(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CC)2	C(CCCO)(CC)	178.9070	0.000	1	178.9070	0.000	1	178.9070	0.000	1	174.5170	148.060	28	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:2:	4:2:	C-3:C-2:	C[6a]-3:C-2:C-2:	Si-4:C-2:	C(CC[6a]C)(CSi)	C(C[6a]C[6a,6a]2)(CC)2	C(SiC3)(CC)	C(CC[6a]C)(CSi)	C(C[6a]C[6a,6a]2)(CC)2	C(SiC3)(CC)	176.2912	2.005	4	176.2912	4.021	4	176.3996	3.074	5	174.5170	148.060	28	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:2:	4:2:	C-3:C-2:	C[6a]-3:C-2:C-2:	Si-4:C-2:	C(CC[6a]C)(CSi)	C(C[6a]C[6a]2)(CC)2	C(SiC3)(CC)	C(CC[6a]C)(CSi)	C(C[6a]C[6a]2)(CC)2	C(SiC3)(CC)	176.8330	0.000	1	176.8330	0.000	1	176.3996	3.074	5	174.5170	148.060	28	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:2:2:	4:2:	C-3:C-2:	N-3:N-2:C-2:	Si-4:C-2:	C(CNN)(CSi)	C(NC[6a]Li)(NC[6a])(CC)	C(SiC3)(CC)	C(CNN)(CSi)	C(NC[6a]Li)(NC[6a])(CC)	C(SiC3)(CC)	172.2810	0.000	1	172.2810	0.000	1	172.2810	0.000	1	174.5170	148.060	28	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	2:1:	C-3:C-2:	C-3:C-3:C-2:	C-2:H-1:	C(CCC)(CH)	C(CC[6a]H)(COO)(CC)	C(CC)(H)	C(CCC)(CH)	C(CC[6a]H)(COO)(CC)	C(CC)(H)	177.5500	0.356	2	177.5500	0.127	2	177.5500	0.127	2	177.7945	1.259	4	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	2:1:	C-3:C-2:	C[6a]-3:C-3:C-2:	C-2:H-1:	C(CC[6a]C)(CH)	C(C[6a]C[6a]2)(CCH)(CC)	C(CC)(H)	C(CC[6a]C)(CH)	C(C[6a]C[6a]2)(CCH)(CC)	C(CC)(H)	179.3450	0.000	1	179.3450	0.000	1	178.0390	3.411	2	177.7945	1.259	4	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	2:1:	C-3:C-2:	C[6a]-3:C-3:C-2:	C-2:H-1:	C(CC[6a]C)(CH)	C(C[6a]C[6a]2)(CC[6a]H)(CC)	C(CC)(H)	C(CC[6a]C)(CH)	C(C[6a]C[6a]2)(CC[6a]H)(CC)	C(CC)(H)	176.7330	0.000	1	176.7330	0.000	1	178.0390	3.411	2	177.7945	1.259	4	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	2:2:	C-3:C-2:	C-3:C-3:C-2:	C-2:C-2:	C(CCC)(CC)	C(CBrC)(CNO)(CC)	C(CC[6])(CC)	C(CCC)(CC)	C(CBrC)(CNO)(CC)	C(CC[6])(CC)	109.0500	0.000	1	109.0500	0.000	1	109.0500	0.000	1	155.0443	1586.615	3	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	2:2:	C-3:C-2:	C[6a]-3:C-3:C-2:	C-2:C-2:	C(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CBr2)(CC)	C(CC)2	C(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CBr2)(CC)	C(CC)2	178.1160	0.000	1	178.1160	0.000	1	178.1160	0.000	1	155.0443	1586.615	3	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	2:2:	C-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C-2:C-2:	C(CC[6a]2)(CC)	C(C[6a]C[6a]2)2(CC)	C(CC)2	C(CC[6a]2)(CC)	C(C[6a]C[6a]2)2(CC)	C(CC)2	177.9670	0.000	1	177.9670	0.000	1	177.9670	0.000	1	155.0443	1586.615	3	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	3:2:	C-3:C-2:	C[5]-3:C-3:C-2:	C[6a]-3:C-2:	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)	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)	171.3780	0.000	1	171.3780	0.000	1	171.3780	0.000	1	176.9795	3.407	48	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	3:2:	C-3:C-2:	C[5]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C(CC[6a]C[5])(CC[6a])	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a]C[5])(CC[6a])	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(CC)	C(C[6a]C[6a]2)(CC)	176.3030	0.000	1	176.3030	0.000	1	175.1350	2.728	2	176.9795	3.407	48	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	3:2:	C-3:C-2:	C[5]-3:C[6a]-3:C-2:	C[6a]-3:C-2:	C(CC[6a]C[5])(CC[6a])	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a]C[5])(CC[6a])	C(C[5]C[5,6a]C[5])(C[6a]C[6a]2)(CC)	C(C[6a]C[6a]2)(CC)	173.9670	0.000	1	173.9670	0.000	1	175.1350	2.728	2	176.9795	3.407	48	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	3:2:	C-3:C-2:	C[5a]-3:C[5]-3:C-2:	C[6a]-3:C-2:	C(CC[5a]C[5])(CC[6a])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CC)	C(C[6a]C[6a]2)(CC)	C(CC[5a]C[5])(CC[6a])	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CC)	C(C[6a]C[6a]2)(CC)	178.2395	0.856	2	178.2395	0.733	2	178.2395	0.733	2	176.9795	3.407	48	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	3:2:	C-3:C-2:	C[5a]-3:C[5a]-3:C-2:	C[6a]-3:C-2:	C(CC[5a]2)(CC[6a])	C(C[5a]C[5a]N[5a])2(CC)	C(C[6a]C[6a]2)(CC)	C(CC[5a]2)(CC[6a])	C(C[5a]C[5a]N[5a])2(CC)	C(C[6a]C[6a]2)(CC)	176.1227	1.376	6	176.1227	1.892	6	176.1227	1.892	6	176.9795	3.407	48	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	3:2:	C-3:C-2:	C[5a]-3:C[6a]-3:C-2:	C-3:C-2:	C(CC[5a]C[6a])(CC)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)	C(CC[5a]C[6a])(CC)	C(CC[5a]C[6a])(CC)	C(C[5a]C[5a]N[5a])(C[6a]C[6a]2)(CC)	C(CC[5a]C[6a])(CC)	178.8305	0.513	2	178.8305	0.263	2	178.8305	0.263	2	176.9795	3.407	48	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	3:2:	C-3:C-2:	C[6]-3:C-3:C-2:	C[6a]-3:C-2:	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)	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)	175.1510	0.000	1	175.1510	0.000	1	175.1510	0.000	1	176.9795	3.407	48	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	3:2:	C-3:C-2:	C[6a]-3:C-3:C-2:	C-3:C-2:	C(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CRuC)(CC)	C(COO)(CC)	C(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CRuC)(CC)	C(COO)(CC)	176.4390	0.000	1	176.4390	0.000	1	176.4390	0.000	1	176.9795	3.407	48	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	3:2:	C-3:C-2:	C[6a]-3:C-3:C-2:	C[6a]-3:C-2:	C(CC[6a]C)(CC[6a])	C(C[6a]C[6a]2)(CBr2)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a]C)(CC[6a])	C(C[6a]C[6a]2)(CBr2)(CC)	C(C[6a]C[6a]2)(CC)	177.8250	0.000	1	177.8250	0.000	1	177.2543	2.439	16	176.9795	3.407	48	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	3:2:	C-3:C-2:	C[6a]-3:C-3:C-2:	C[6a]-3:C-2:	C(CC[6a]C)(CC[6a])	C(C[6a]C[6a]2)(CCH)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a]C)(CC[6a])	C(C[6a]C[6a]2)(CCH)(CC)	C(C[6a]C[6a]2)(CC)	178.6136	0.998	5	178.6136	0.997	5	177.2543	2.439	16	176.9795	3.407	48	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	3:2:	C-3:C-2:	C[6a]-3:C-3:C-2:	C[6a]-3:C-2:	C(CC[6a]C)(CC[6a])	C(C[6a]C[6a]2)(CCS)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a]C)(CC[6a])	C(C[6a]C[6a]2)(CCS)(CC)	C(C[6a]C[6a]2)(CC)	176.3020	1.069	4	176.3020	1.143	4	177.2543	2.439	16	176.9795	3.407	48	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	3:2:	C-3:C-2:	C[6a]-3:C-3:C-2:	C[6a]-3:C-2:	C(CC[6a]C)(CC[6a])	C(C[6a]C[6a]2)(CC[6]H)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a]C)(CC[6a])	C(C[6a]C[6a]2)(CC[6]H)(CC)	C(C[6a]C[6a]2)(CC)	176.9870	0.000	1	176.9870	0.000	1	177.2543	2.439	16	176.9795	3.407	48	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	3:2:	C-3:C-2:	C[6a]-3:C-3:C-2:	C[6a]-3:C-2:	C(CC[6a]C)(CC[6a])	C(C[6a]C[6a]2)(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a]C)(CC[6a])	C(C[6a]C[6a]2)(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CC)	178.4115	0.585	2	178.4115	0.342	2	177.2543	2.439	16	176.9795	3.407	48	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	3:2:	C-3:C-2:	C[6a]-3:C-3:C-2:	C[6a]-3:C-2:	C(CC[6a]C)(CC[6a])	C(C[6a]C[6a]2)(CHH)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a]C)(CC[6a])	C(C[6a]C[6a]2)(CHH)(CC)	C(C[6a]C[6a]2)(CC)	174.9940	0.000	1	174.9940	0.000	1	177.2543	2.439	16	176.9795	3.407	48	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	3:2:	C-3:C-2:	C[6a]-3:C-3:C-2:	C[6a]-3:C-2:	C(CC[6a]C)(CC[6a])	C(C[6a]C[6a]2)(CRuC)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[6a]C)(CC[6a])	C(C[6a]C[6a]2)(CRuC)(CC)	C(C[6a]C[6a]2)(CC)	175.5815	1.477	2	175.5815	2.182	2	177.2543	2.439	16	176.9795	3.407	48	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	3:2:	C-3:C-2:	C[6a]-3:C[6a]-3:C-2:	C-3:C-2:	C(CC[6a]2)(CC)	C(C[6a]C[6a]2)2(CC)	C(CC[6a]2)(CC)	C(CC[6a]2)(CC)	C(C[6a]C[6a]2)2(CC)	C(CC[6a]2)(CC)	177.7444	1.372	12	177.7444	1.881	12	177.7444	1.881	12	176.9795	3.407	48	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	3:2:	C-3:C-2:	N-3:C-3:C-2:	N-3:C-2:	C(CCN)(CN)	C(NC[6a]C)(CHH)(CC)	C(NC[6a]C)(CC)	C(CCN)(CN)	C(NC[6a]C)(CHH)(CC)	C(NC[6a]C)(CC)	176.9340	0.000	1	176.9340	0.000	1	176.9340	0.000	1	176.9795	3.407	48	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	3:2:	C-3:C-2:	N-3:N-3:C-2:	C-3:C-2:	C(CNN)(CC)	C(NCC)2(CC)	C(CNN)(CC)	C(CNN)(CC)	C(NCC)2(CC)	C(CNN)(CC)	179.0130	0.000	1	179.0130	0.000	1	179.0130	0.000	1	176.9795	3.407	48	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	3:2:	C-3:C-2:	N[5]-3:C-3:C-2:	C[6a]-3:C-2:	C(CN[5]C)(CC[6a])	C(N[5]C[5]2)(CC[6a]Ge)(CC)	C(C[6a]C[6a]2)(CC)	C(CN[5]C)(CC[6a])	C(N[5]C[5]2)(CC[6a]Ge)(CC)	C(C[6a]C[6a]2)(CC)	173.3870	0.000	1	173.3870	0.000	1	175.7820	11.472	2	176.9795	3.407	48	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	3:2:	C-3:C-2:	N[5]-3:C-3:C-2:	C[6a]-3:C-2:	C(CN[5]C)(CC[6a])	C(N[5]C[5]2)(CC[6a]H)(CC)	C(C[6a]C[6a]2)(CC)	C(CN[5]C)(CC[6a])	C(N[5]C[5]2)(CC[6a]H)(CC)	C(C[6a]C[6a]2)(CC)	178.1770	0.000	1	178.1770	0.000	1	175.7820	11.472	2	176.9795	3.407	48	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	3:2:	C-3:C-2:	N[5a]-3:C-3:C-2:	C[6a]-3:C-2:	C(CN[5a]C)(CC[6a])	C(N[5a]C[5a,6a]C[5a])(CC[6a]H)(CC)	C(C[6a]C[6a]2)(CC)	C(CN[5a]C)(CC[6a])	C(N[5a]C[5a,6a]C[5a])(CC[6a]H)(CC)	C(C[6a]C[6a]2)(CC)	174.3880	0.000	1	174.3880	0.000	1	174.3880	0.000	1	176.9795	3.407	48	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	4:2:	C-3:C-2:	B-3:C-3:C-2:	C-4:C-2:	C(CBC)(CC)	C(BC[5]N)(CBC)(CC)	C(CH3)(CC)	C(CBC)(CC)	C(BC[5]N)(CBC)(CC)	C(CH3)(CC)	173.7450	0.000	1	173.7450	0.000	1	173.7450	0.000	1	175.9708	2.865	31	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	4:2:	C-3:C-2:	C-3:C-3:C-2:	C-4:C-2:	C(CCC)(CC)	C(CCC)(CCH)(CC)	C(CC3)(CC)	C(CCC)(CC)	C(CCC)(CCH)(CC)	C(CC3)(CC)	174.4300	0.000	1	174.4300	0.000	1	174.6260	0.077	2	175.9708	2.865	31	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	4:2:	C-3:C-2:	C-3:C-3:C-2:	C-4:C-2:	C(CCC)(CC)	C(CCH)2(CC)	C(CCHH)(CC)	C(CCC)(CC)	C(CCH)2(CC)	C(CCHH)(CC)	174.8220	0.000	1	174.8220	0.000	1	174.6260	0.077	2	175.9708	2.865	31	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	4:2:	C-3:C-2:	C-3:C-3:C-2:	Si-4:C-2:	C(CCC)(CSi)	C(CC[5]H)(CCH)(CC)	C(SiC3)(CC)	C(CCC)(CSi)	C(CC[5]H)(CCH)(CC)	C(SiC3)(CC)	178.6460	0.000	1	178.6460	0.000	1	178.6460	0.000	1	175.9708	2.865	31	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	4:2:	C-3:C-2:	C-3:N-3:C-2:	Si-4:C-2:	C(CCN)(CSi)	C(CCH)(NCC)(CC)	C(SiC3)(CC)	C(CCN)(CSi)	C(CCH)(NCC)(CC)	C(SiC3)(CC)	177.0420	0.000	1	177.0420	0.000	1	177.0420	0.000	1	175.9708	2.865	31	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	4:2:	C-3:C-2:	C[5]-3:C-3:C-2:	Si-4:C-2:	C(CC[5]C)(CSi)	C(C[5]C[5]2)(CCH)(CC)	C(SiC3)(CC)	C(CC[5]C)(CSi)	C(C[5]C[5]2)(CCH)(CC)	C(SiC3)(CC)	177.8200	0.000	1	177.8200	0.000	1	177.8200	0.000	1	175.9708	2.865	31	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	4:2:	C-3:C-2:	C[5a]-3:C[5]-3:C-2:	Si-4:C-2:	C(CC[5a]C[5])(CSi)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CC)	C(SiC3)(CC)	C(CC[5a]C[5])(CSi)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(CC)	C(SiC3)(CC)	176.8254	1.512	7	176.8254	2.287	7	176.8254	2.287	7	175.9708	2.865	31	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	4:2:	C-3:C-2:	C[5a]-3:C[5a]-3:C-2:	Si-4:C-2:	C(CC[5a]2)(CSi)	C(C[5a]C[5a]N[5a])2(CC)	C(SiC3)(CC)	C(CC[5a]2)(CSi)	C(C[5a]C[5a]N[5a])2(CC)	C(SiC3)(CC)	175.9490	1.614	10	175.9490	2.605	10	175.9490	2.605	10	175.9708	2.865	31	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	4:2:	C-3:C-2:	C[6]-3:C-3:C-2:	C-4:C-2:	C(CC[6]C)(CC)	C(C[6]C[6]2)(CHH)(CC)	C(CCHH)(CC)	C(CC[6]C)(CC)	C(C[6]C[6]2)(CHH)(CC)	C(CCHH)(CC)	173.8210	0.000	1	173.8210	0.000	1	173.8210	0.000	1	175.9708	2.865	31	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	4:2:	C-3:C-2:	C[6a]-3:C-3:C-2:	C[5]-4:C-2:	C(CC[6a]C)(CC[5])	C(C[6a]C[6a]2)(CC[6]H)(CC)	C(C[5]C[5]2Fe)(CC)	C(CC[6a]C)(CC[5])	C(C[6a]C[6a]2)(CC[6]H)(CC)	C(C[5]C[5]2Fe)(CC)	173.6500	0.000	1	173.6500	0.000	1	173.6500	0.000	1	175.9708	2.865	31	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	4:2:	C-3:C-2:	C[6a]-3:C-3:C-2:	Si-4:C-2:	C(CC[6a]C)(CSi)	C(C[6a]C[6a]2)(CCH)(CC)	C(SiC3)(CC)	C(CC[6a]C)(CSi)	C(C[6a]C[6a]2)(CCH)(CC)	C(SiC3)(CC)	176.3280	0.000	1	176.3280	0.000	1	175.3553	1.016	4	175.9708	2.865	31	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	4:2:	C-3:C-2:	C[6a]-3:C-3:C-2:	Si-4:C-2:	C(CC[6a]C)(CSi)	C(C[6a]C[6a]2)(CC[6a]C)(CC)	C(SiC3)(CC)	C(CC[6a]C)(CSi)	C(C[6a]C[6a]2)(CC[6a]C)(CC)	C(SiC3)(CC)	174.9435	1.319	2	174.9435	1.739	2	175.3553	1.016	4	175.9708	2.865	31	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	4:2:	C-3:C-2:	C[6a]-3:C-3:C-2:	Si-4:C-2:	C(CC[6a]C)(CSi)	C(C[6a]C[6a]2)(CRuC)(CC)	C(SiC3)(CC)	C(CC[6a]C)(CSi)	C(C[6a]C[6a]2)(CRuC)(CC)	C(SiC3)(CC)	175.2060	0.000	1	175.2060	0.000	1	175.3553	1.016	4	175.9708	2.865	31	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	4:2:	C-3:C-2:	N[6]-3:C-3:C-2:	C-4:C-2:	C(CN[6]C)(CC)	C(N[6]C[6]2)(CCH)(CC)	C(CH3)(CC)	C(CN[6]C)(CC)	C(N[6]C[6]2)(CCH)(CC)	C(CH3)(CC)	178.2900	0.000	1	178.2900	0.000	1	178.2900	0.000	1	175.9708	2.865	31	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:3:2:	4:2:	C-3:C-2:	N[6]-3:C-3:C-2:	Si-4:C-2:	C(CN[6]C)(CSi)	C(N[6]C[6,6a]2)(CCl2)(CC)	C(SiC3)(CC)	C(CN[6]C)(CSi)	C(N[6]C[6,6a]2)(CCl2)(CC)	C(SiC3)(CC)	174.1400	0.000	1	174.1400	0.000	1	174.1400	0.000	1	175.9708	2.865	31	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:4:2:	2:2:	C-3:C-2:	C[6a]-3:C-4:C-2:	C-2:C-2:	C(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CC3)(CC)	C(CC)2	C(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CC3)(CC)	C(CC)2	174.5700	0.000	1	174.5700	0.000	1	174.5700	0.000	1	174.5700	0.000	1	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:4:2:	3:2:	C-3:C-2:	C-3:Si-4:C-2:	C-3:C-2:	C(CSiC)(CC)	C(CC[6a]O)(SiC3)(CC)	C(CSiC)(CC)	C(CSiC)(CC)	C(CC[6a]O)(SiC3)(CC)	C(CSiC)(CC)	175.1795	1.570	2	175.1795	2.466	2	175.1795	2.466	2	177.5892	4.632	6	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:4:2:	3:2:	C-3:C-2:	C[5]-3:C-4:C-2:	C[6a]-3:C-2:	C(CC[5]C)(CC[6a])	C(C[5]C[5,6a]Si[5])(CH3)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[5]C)(CC[6a])	C(C[5]C[5,6a]Si[5])(CH3)(CC)	C(C[6a]C[6a]2)(CC)	179.5340	0.000	1	179.5340	0.000	1	179.5340	0.000	1	177.5892	4.632	6	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:4:2:	3:2:	C-3:C-2:	C[6a]-3:C-4:C-2:	C-3:C-2:	C(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CCFF)(CC)	C(CC[6a]C)(CC)	C(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CCFF)(CC)	C(CC[6a]C)(CC)	178.9360	0.000	1	178.9360	0.000	1	178.5473	1.271	3	177.5892	4.632	6	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:4:2:	3:2:	C-3:C-2:	C[6a]-3:C-4:C-2:	C-3:C-2:	C(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CF3)(CC)	C(CC[6a]C)(CC)	C(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CF3)(CC)	C(CC[6a]C)(CC)	179.4290	0.000	1	179.4290	0.000	1	178.5473	1.271	3	177.5892	4.632	6	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:4:2:	3:2:	C-3:C-2:	C[6a]-3:C-4:C-2:	C-3:C-2:	C(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CHHO)(CC)	C(CCC)(CC)	C(CC[6a]C)(CC)	C(C[6a]C[6a]2)(CHHO)(CC)	C(CCC)(CC)	177.2770	0.000	1	177.2770	0.000	1	178.5473	1.271	3	177.5892	4.632	6	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:4:2:	4:2:	C-3:C-2:	C-3:Si-4:C-2:	Si-4:C-2:	C(CSiC)(CSi)	C(CC[6a]2)(SiC3)(CC)	C(SiC3)(CC)	C(CSiC)(CSi)	C(CC[6a]2)(SiC3)(CC)	C(SiC3)(CC)	176.0740	0.000	1	176.0740	0.000	1	173.4275	14.008	2	173.4275	14.008	2	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	3:4:2:	4:2:	C-3:C-2:	C-3:Si-4:C-2:	Si-4:C-2:	C(CSiC)(CSi)	C(CC[6a]H)(SiC3)(CC)	C(SiC3)(CC)	C(CSiC)(CSi)	C(CC[6a]H)(SiC3)(CC)	C(SiC3)(CC)	170.7810	0.000	1	170.7810	0.000	1	173.4275	14.008	2	173.4275	14.008	2	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	4:2:1:	2:1:	C-3:C-2:	C[5]-4:C-2:O-1:	C-2:H-1:	C(CC[5]O)(CH)	C(C[5]C[5]2Fe)(CC)(O)	C(CC)(H)	C(CC[5]O)(CH)	C(C[5]C[5]2Fe)(CC)(O)	C(CC)(H)	178.4060	0.000	1	178.4060	0.000	1	178.4060	0.000	1	178.4060	0.000	1	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	4:2:1:	3:2:	C-3:C-2:	C-4:C-2:O-1:	C-3:C-2:	C(CCO)(CC)	C(CCo3)(CC)(O)	C(CCO)(CC)	C(CCO)(CC)	C(CCo3)(CC)(O)	C(CCO)(CC)	179.1720	0.000	1	179.1720	0.000	1	179.1720	0.000	1	178.1537	0.840	3	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	4:2:1:	3:2:	C-3:C-2:	C[5]-4:C-2:O-1:	C[6a]-3:C-2:	C(CC[5]O)(CC[6a])	C(C[5]C[5]2Fe)(CC)(O)	C(C[6a]C[6a]2)(CC)	C(CC[5]O)(CC[6a])	C(C[5]C[5]2Fe)(CC)(O)	C(C[6a]C[6a]2)(CC)	177.3960	0.000	1	177.3960	0.000	1	177.3960	0.000	1	178.1537	0.840	3	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	4:2:1:	3:2:	C-3:C-2:	Si-4:C-2:H-1:	C-3:C-2:	C(CSiH)(CC)	C(SiC3)(CC)(H)	C(CSiC)(CC)	C(CSiH)(CC)	C(SiC3)(CC)(H)	C(CSiC)(CC)	177.8930	0.000	1	177.8930	0.000	1	177.8930	0.000	1	178.1537	0.840	3	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	4:2:1:	4:2:	C-3:C-2:	C-4:C-2:O-1:	C-4:C-2:	C(CCO)(CC)	C(CCo3)(CC)(O)	C(CCo3)(CC)	C(CCO)(CC)	C(CCo3)(CC)(O)	C(CCo3)(CC)	169.0900	3.280	2	169.0900	10.756	2	171.0327	16.700	3	173.7810	23.572	5	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	4:2:1:	4:2:	C-3:C-2:	C-4:C-2:O-1:	C-4:C-2:	C(CCO)(CC)	C(CCo3)(CC)(O)	C(COs3)(CC)	C(CCO)(CC)	C(CCo3)(CC)(O)	C(COs3)(CC)	174.9180	0.000	1	174.9180	0.000	1	171.0327	16.700	3	173.7810	23.572	5	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	4:2:1:	4:2:	C-3:C-2:	C[5]-4:C-2:O-1:	C-4:C-2:	C(CC[5]O)(CC)	C(C[5]C[5]2Fe)(CC)(O)	C(CH3)(CC)	C(CC[5]O)(CC)	C(C[5]C[5]2Fe)(CC)(O)	C(CH3)(CC)	179.3590	0.000	1	179.3590	0.000	1	179.3590	0.000	1	173.7810	23.572	5	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	4:2:1:	4:2:	C-3:C-2:	C[5]-4:C-2:O-1:	Si-4:C-2:	C(CC[5]O)(CSi)	C(C[5]C[5]2Fe)(CC)(O)	C(SiC3)(CC)	C(CC[5]O)(CSi)	C(C[5]C[5]2Fe)(CC)(O)	C(SiC3)(CC)	176.4480	0.000	1	176.4480	0.000	1	176.4480	0.000	1	173.7810	23.572	5	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	4:2:2:	3:2:	C-3:C-2:	C-4:C-2:C-2:	C-3:C-2:	C(CCC)(CC)	C(CCHH)(CC)2	C(CC[6a]C)(CC)	C(CCC)(CC)	C(CCHH)(CC)2	C(CC[6a]C)(CC)	177.4902	1.547	12	177.4902	2.393	12	177.4902	2.393	12	177.4902	2.393	12	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	4:3:2:	2:2:	C-3:C-2:	C-4:C-3:C-2:	C-2:C-2:	C(CCC)(CC)	C(CCHH)(CBr2)(CC)	C(CC)2	C(CCC)(CC)	C(CCHH)(CBr2)(CC)	C(CC)2	171.3505	3.847	2	171.3505	14.802	2	172.6028	10.226	14	172.6028	10.226	14	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	4:3:2:	2:2:	C-3:C-2:	C-4:C-3:C-2:	C-2:C-2:	C(CCC)(CC)	C(CCHH)(CSiC)(CC)	C(CC)2	C(CCC)(CC)	C(CCHH)(CSiC)(CC)	C(CC)2	174.4140	0.000	1	174.4140	0.000	1	172.6028	10.226	14	172.6028	10.226	14	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	4:3:2:	2:2:	C-3:C-2:	C-4:C-3:C-2:	C-2:C-2:	C(CCC)(CC)	C(CHHO)(CCH)(CC)	C(CC)2	C(CCC)(CC)	C(CHHO)(CCH)(CC)	C(CC)2	172.6658	3.342	11	172.6658	11.167	11	172.6028	10.226	14	172.6028	10.226	14	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	4:3:2:	3:2:	C-3:C-2:	C[5]-4:C-3:C-2:	C[6a]-3:C-2:	C(CC[5]C)(CC[6a])	C(C[5]C[5]2Fe)(CC[6a]H)(CC)	C(C[6a]C[6a]2)(CC)	C(CC[5]C)(CC[6a])	C(C[5]C[5]2Fe)(CC[6a]H)(CC)	C(C[6a]C[6a]2)(CC)	177.5960	0.000	1	177.5960	0.000	1	177.5960	0.000	1	177.5960	0.000	1	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	4:3:2:	4:2:	C-3:C-2:	C-4:C-3:C-2:	B-4:C-2:	C(CCC)(CB)	C(CH3)(CHH)(CC)	C(BC[6a]2C)(CC)	C(CCC)(CB)	C(CH3)(CHH)(CC)	C(BC[6a]2C)(CC)	176.5210	0.000	1	176.5210	0.000	1	175.3270	2.851	2	175.4586	23.666	17	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	4:3:2:	4:2:	C-3:C-2:	C-4:C-3:C-2:	B-4:C-2:	C(CCC)(CB)	C(CH3)(CHH)(CC)	C(BC[6a]2C[5])(CC)	C(CCC)(CB)	C(CH3)(CHH)(CC)	C(BC[6a]2C[5])(CC)	174.1330	0.000	1	174.1330	0.000	1	175.3270	2.851	2	175.4586	23.666	17	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	4:3:2:	4:2:	C-3:C-2:	C-4:C-3:C-2:	C-4:C-2:	C(CCC)(CC)	C(CH3)(CHH)(CC)	C(CCHH)(CC)	C(CCC)(CC)	C(CH3)(CHH)(CC)	C(CCHH)(CC)	158.7540	0.000	1	158.7540	0.000	1	158.7540	0.000	1	175.4586	23.666	17	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	4:3:2:	4:2:	C-3:C-2:	C-4:C-3:C-2:	Si-4:C-2:	C(CCC)(CSi)	C(CGa2Si)(CCC)(CC)	C(SiC3)(CC)	C(CCC)(CSi)	C(CGa2Si)(CCC)(CC)	C(SiC3)(CC)	176.0825	2.834	4	176.0825	8.033	4	176.4858	6.838	5	175.4586	23.666	17	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	4:3:2:	4:2:	C-3:C-2:	C-4:C-3:C-2:	Si-4:C-2:	C(CCC)(CSi)	C(CRu2C)(CSiH)(CC)	C(SiC3)(CC)	C(CCC)(CSi)	C(CRu2C)(CSiH)(CC)	C(SiC3)(CC)	178.0990	0.000	1	178.0990	0.000	1	176.4858	6.838	5	175.4586	23.666	17	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	4:3:2:	4:2:	C-3:C-2:	C[5,5]-4:C-3:C-2:	Si-4:C-2:	C(CC[5,5]C)(CSi)	C(C[5,5]Ga[5,5,6]C[5,5,6]C)(CGaSi)(CC)	C(SiC3)(CC)	C(CC[5,5]C)(CSi)	C(C[5,5]Ga[5,5,6]C[5,5,6]C)(CGaSi)(CC)	C(SiC3)(CC)	177.5230	0.000	2	177.5230	0.000	2	177.5230	0.000	2	175.4586	23.666	17	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	4:3:2:	4:2:	C-3:C-2:	C[5]-4:C-3:C-2:	C[5]-4:C-2:	C(CC[5]C)(CC[5])	C(C[5]C[5]2Fe)(CHH)(CC)	C(C[5]C[5]2Fe)(CC)	C(CC[5]C)(CC[5])	C(C[5]C[5]2Fe)(CHH)(CC)	C(C[5]C[5]2Fe)(CC)	178.4600	0.000	1	178.4600	0.000	1	178.4600	0.000	1	175.4586	23.666	17	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	4:3:2:	4:2:	C-3:C-2:	P-4:C-3:C-2:	C-4:C-2:	C(CCP)(CC)	C(PCCH)(CBC)(CC)	C(CH3)(CC)	C(CCP)(CC)	C(PCCH)(CBC)(CC)	C(CH3)(CC)	170.7120	0.000	1	170.7120	0.000	1	173.7650	18.642	2	175.4586	23.666	17	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	4:3:2:	4:2:	C-3:C-2:	P-4:C-3:C-2:	C-4:C-2:	C(CCP)(CC)	C(PC[6a]3)(CBC)(CC)	C(CCHH)(CC)	C(CCP)(CC)	C(PC[6a]3)(CBC)(CC)	C(CCHH)(CC)	176.8180	0.000	1	176.8180	0.000	1	173.7650	18.642	2	175.4586	23.666	17	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	4:3:2:	4:2:	C-3:C-2:	Si-4:C-3:C-2:	C-4:C-2:	C(CSiC)(CC)	C(SiC[6a]3)(CCH)(CC)	C(CC3)(CC)	C(CSiC)(CC)	C(SiC[6a]3)(CCH)(CC)	C(CC3)(CC)	176.0710	0.000	1	176.0710	0.000	1	176.3155	0.120	2	175.4586	23.666	17	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	4:3:2:	4:2:	C-3:C-2:	Si-4:C-3:C-2:	C-4:C-2:	C(CSiC)(CC)	C(SiC[6a]3)(CCH)(CC)	C(CH3)(CC)	C(CSiC)(CC)	C(SiC[6a]3)(CCH)(CC)	C(CH3)(CC)	176.5600	0.000	1	176.5600	0.000	1	176.3155	0.120	2	175.4586	23.666	17	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	4:3:2:	4:2:	C-3:C-2:	Si-4:C-3:C-2:	Si-4:C-2:	C(CSiC)(CSi)	C(SiC[6a]2C)(CSnC)(CC)	C(SiC3)(CC)	C(CSiC)(CSi)	C(SiC[6a]2C)(CSnC)(CC)	C(SiC3)(CC)	178.6460	0.537	2	178.6460	0.289	2	178.6460	0.289	2	175.4586	23.666	17	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	4:4:2:	2:2:	C-3:C-2:	C-4:C-4:C-2:	C-2:C-2:	C(CCC)(CC)	C(CC3)2(CC)	C(CC)2	C(CCC)(CC)	C(CC3)2(CC)	C(CC)2	178.5540	0.000	1	178.5540	0.000	1	178.5540	0.000	1	178.5540	0.000	1	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	4:4:2:	3:2:	C-3:C-2:	B-4:C-4:C-2:	C-3:C-2:	C(CBC)(CC)	C(BC[6a]3)(CCHH)(CC)	C(CCP)(CC)	C(CBC)(CC)	C(BC[6a]3)(CCHH)(CC)	C(CCP)(CC)	175.0455	1.843	2	175.0455	3.398	2	175.7267	3.091	3	175.0524	11.089	14	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	4:4:2:	3:2:	C-3:C-2:	B-4:C-4:C-2:	C-3:C-2:	C(CBC)(CC)	C(BC[6a]3)(CH3)(CC)	C(CCP)(CC)	C(CBC)(CC)	C(BC[6a]3)(CH3)(CC)	C(CCP)(CC)	177.0890	0.000	1	177.0890	0.000	1	175.7267	3.091	3	175.0524	11.089	14	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	4:4:2:	3:2:	C-3:C-2:	C-4:C-4:C-2:	C-3:C-2:	C(CCC)(CC)	C(CC[6a]HO)(CHHO)(CC)	C(CC[6a]C)(CC)	C(CCC)(CC)	C(CC[6a]HO)(CHHO)(CC)	C(CC[6a]C)(CC)	176.4090	0.000	1	176.4090	0.000	1	176.4090	0.000	1	175.0524	11.089	14	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	4:4:2:	3:2:	C-3:C-2:	C-4:P-4:C-2:	C-3:C-2:	C(CCP)(CC)	C(CCHH)(PC3)(CC)	C(CBC)(CC)	C(CCP)(CC)	C(CCHH)(PC3)(CC)	C(CBC)(CC)	167.9675	2.907	2	167.9675	8.450	2	171.0953	33.575	3	175.0524	11.089	14	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	4:4:2:	3:2:	C-3:C-2:	C-4:P-4:C-2:	C-3:C-2:	C(CCP)(CC)	C(CH3)(PC3)(CC)	C(CBC)(CC)	C(CCP)(CC)	C(CH3)(PC3)(CC)	C(CBC)(CC)	177.3510	0.000	1	177.3510	0.000	1	171.0953	33.575	3	175.0524	11.089	14	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	4:4:2:	3:2:	C-3:C-2:	C-4:Si-4:C-2:	C-3:C-2:	C(CSiC)(CC)	C(CC[6a]HO)(SiC3)(CC)	C(CSiC)(CC)	C(CSiC)(CC)	C(CC[6a]HO)(SiC3)(CC)	C(CSiC)(CC)	176.1783	1.415	6	176.1783	2.003	6	176.2656	1.723	7	175.0524	11.089	14	174.4232	95.192	722	174.4232	95.192	722
983	930	983	0:SP1_SP1_SP2	C	C	C	3:2:	4:4:2:	3:2:	C-3:C-2:	C-4:Si-4:C-2:	C-3:C-2:	C(CSiC)(CC)	C(CC[6a]HO)(SiC3)(CC)	C(CSiH)(CC)	C(CSiC)(CC)	C(CC[6a]HO)(SiC3)(CC)	C(CSiH)(CC)	176.7890	0.000	1	176.7890	0.000	1	176.2656	1.723	7	175.0524	11.089	14	174.4232	95.192	722	174.4232	95.192	722