941	951	951	0:SP2_SP-NON_SP-NON	N	H	H	1:1:	2:	2:	H-1:H-1:	N-2:	N-2:	N(H)2	H(NH)	H(NH)	N(H)2	H(NH)	H(NH)	108.3626	14.052	41	108.3626	197.452	41	108.3626	197.452	41	108.3626	197.452	41	108.3626	197.452	41	108.3626	197.452	41
941	951	952	0:SP2_SP-NON_SP3	N	H	S	4:1:	2:	2:2:1:1:	S-4:H-1:	N-2:	O-2:N-2:O-1:O-1:	N(SO3)(H)	H(NS)	S(OC[6a])(NH)(O)2	N(SO3)(H)	H(NS)	S(OC[6a])(NH)(O)2	113.9825	0.179	2	113.9825	0.032	2	113.9825	0.032	2	113.9825	0.032	2	114.0732	21.959	34	114.0732	21.959	34
941	951	952	0:SP2_SP-NON_SP3	N	H	S	4:1:	2:	3:2:1:1:	S-4:H-1:	N-2:	C[5a]-3:N-2:O-1:O-1:	N(SC[5a]OO)(H)	H(NS)	S(C[5a]C[5a]N[5a])(NH)(O)2	N(SC[5a]OO)(H)	H(NS)	S(C[5a]C[5a]N[5a])(NH)(O)2	117.1720	0.000	1	117.1720	0.000	1	110.8589	64.533	5	113.8708	23.211	29	114.0732	21.959	34	114.0732	21.959	34
941	951	952	0:SP2_SP-NON_SP3	N	H	S	4:1:	2:	3:2:1:1:	S-4:H-1:	N-2:	C[5a]-3:N-2:O-1:O-1:	N(SC[5a]OO)(H)	H(NS)	S(C[5a]N[5a]S[5a])(NH)(O)2	N(SC[5a]OO)(H)	H(NS)	S(C[5a]N[5a]S[5a])(NH)(O)2	109.2807	8.333	4	109.2807	69.438	4	110.8589	64.533	5	113.8708	23.211	29	114.0732	21.959	34	114.0732	21.959	34
941	951	952	0:SP2_SP-NON_SP3	N	H	S	4:1:	2:	3:2:1:1:	S-4:H-1:	N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)(H)	H(NS)	S(C[6a]C[6a]2)(NH)(O)2	N(SC[6a]OO)(H)	H(NS)	S(C[6a]C[6a]2)(NH)(O)2	114.4983	3.828	24	114.4983	14.650	24	114.4983	14.650	24	113.8708	23.211	29	114.0732	21.959	34	114.0732	21.959	34
941	951	952	0:SP2_SP-NON_SP3	N	H	S	4:1:	2:	3:4:2:1:	S-4:H-1:	N-2:	C[6a]-3:C-4:N-2:O-1:	N(SC[6a]CO)(H)	H(NS)	S(C[6a]C[6a]2)(CCFF)(NH)(O)	N(SC[6a]CO)(H)	H(NS)	S(C[6a]C[6a]2)(CCFF)(NH)(O)	122.4740	0.000	1	122.4740	0.000	1	122.4740	0.000	1	122.4740	0.000	1	114.0732	21.959	34	114.0732	21.959	34
941	951	952	0:SP2_SP-NON_SP3	N	H	S	4:1:	2:	4:2:1:1:	S-4:H-1:	N-2:	C-4:N-2:O-1:O-1:	N(SCOO)(H)	H(NS)	S(CC[5a]HH)(NH)(O)2	N(SCOO)(H)	H(NS)	S(CC[5a]HH)(NH)(O)2	112.6140	0.000	1	112.6140	0.000	1	112.6140	0.000	1	112.6140	0.000	1	114.0732	21.959	34	114.0732	21.959	34
941	951	952	0:SP2_SP-NON_SP3	N	H	S	4:1:	2:	4:4:2:1:	S-4:H-1:	N-2:	C[6]-4:C[6]-4:N-2:O-1:	N(SC[6]2O)(H)	H(NS)	S(C[6]C[6]O[6]H)(C[6]C[6]2H)(NH)(O)	N(SC[6]2O)(H)	H(NS)	S(C[6]C[6]O[6]H)(C[6]C[6]2H)(NH)(O)	113.1820	0.000	1	113.1820	0.000	1	113.1820	0.000	1	113.1820	0.000	1	114.0732	21.959	34	114.0732	21.959	34
941	951	956	0:SP2_SP-NON_SP2	N	H	N	3:1:	2:	3:2:1:	N-3:H-1:	N-2:	C-3:N-2:H-1:	N(NCH)(H)	H(NN)	N(CCH)(NH)(H)	N(NCH)(H)	H(NN)	N(CCH)(NH)(H)	129.7010	0.000	1	129.7010	0.000	1	106.8840	79.721	13	107.1432	74.529	14	106.7747	71.242	15	106.7747	71.242	15
941	951	956	0:SP2_SP-NON_SP2	N	H	N	3:1:	2:	3:2:1:	N-3:H-1:	N-2:	C-3:N-2:H-1:	N(NCH)(H)	H(NN)	N(CCO)(NH)(H)	N(NCH)(H)	H(NN)	N(CCO)(NH)(H)	109.6860	1.286	2	109.6860	1.653	2	106.8840	79.721	13	107.1432	74.529	14	106.7747	71.242	15	106.7747	71.242	15
941	951	956	0:SP2_SP-NON_SP2	N	H	N	3:1:	2:	3:2:1:	N-3:H-1:	N-2:	C-3:N-2:H-1:	N(NCH)(H)	H(NN)	N(CC[6]N)(NH)(H)	N(NCH)(H)	H(NN)	N(CC[6]N)(NH)(H)	103.9560	0.000	1	103.9560	0.000	1	106.8840	79.721	13	107.1432	74.529	14	106.7747	71.242	15	106.7747	71.242	15
941	951	956	0:SP2_SP-NON_SP2	N	H	N	3:1:	2:	3:2:1:	N-3:H-1:	N-2:	C-3:N-2:H-1:	N(NCH)(H)	H(NN)	N(CC[6a]O)(NH)(H)	N(NCH)(H)	H(NN)	N(CC[6a]O)(NH)(H)	107.4880	5.752	2	107.4880	33.081	2	106.8840	79.721	13	107.1432	74.529	14	106.7747	71.242	15	106.7747	71.242	15
941	951	956	0:SP2_SP-NON_SP2	N	H	N	3:1:	2:	3:2:1:	N-3:H-1:	N-2:	C-3:N-2:H-1:	N(NCH)(H)	H(NN)	N(CNN)(NH)(H)	N(NCH)(H)	H(NN)	N(CNN)(NH)(H)	107.7772	2.277	4	107.7772	5.183	4	106.8840	79.721	13	107.1432	74.529	14	106.7747	71.242	15	106.7747	71.242	15
941	951	956	0:SP2_SP-NON_SP2	N	H	N	3:1:	2:	3:2:1:	N-3:H-1:	N-2:	C-3:N-2:H-1:	N(NCH)(H)	H(NN)	N(CNS)(NH)(H)	N(NCH)(H)	H(NN)	N(CNS)(NH)(H)	102.5150	0.000	1	102.5150	0.000	1	106.8840	79.721	13	107.1432	74.529	14	106.7747	71.242	15	106.7747	71.242	15
941	951	956	0:SP2_SP-NON_SP2	N	H	N	3:1:	2:	3:2:1:	N-3:H-1:	N-2:	C-3:N-2:H-1:	N(NCH)(H)	H(NN)	N(COP)(NH)(H)	N(NCH)(H)	H(NN)	N(COP)(NH)(H)	93.9317	1.718	2	93.9317	2.951	2	106.8840	79.721	13	107.1432	74.529	14	106.7747	71.242	15	106.7747	71.242	15
941	951	956	0:SP2_SP-NON_SP2	N	H	N	3:1:	2:	3:2:1:	N-3:H-1:	N-2:	C[6]-3:N-2:H-1:	N(NC[6]H)(H)	H(NN)	N(C[6]C[6,6a]N[6])(NH)(H)	N(NC[6]H)(H)	H(NN)	N(C[6]C[6,6a]N[6])(NH)(H)	110.5120	0.000	1	110.5120	0.000	1	110.5120	0.000	1	107.1432	74.529	14	106.7747	71.242	15	106.7747	71.242	15
941	951	956	0:SP2_SP-NON_SP2	N	H	N	3:1:	2:	4:3:2:	N-3:H-1:	N-2:	S-4:C-3:N-2:	N(NCS)(H)	H(NN)	N(SC[6]OO)(CC[6a]O)(NH)	N(NCS)(H)	H(NN)	N(SC[6]OO)(CC[6a]O)(NH)	101.6160	0.000	1	101.6160	0.000	1	101.6160	0.000	1	101.6160	0.000	1	106.7747	71.242	15	106.7747	71.242	15
941	951	956	0:SP2_SP-NON_SP3	N	H	N	3:1:	2:	2:1:1:	N-3:H-1:	N-2:	N-2:H-1:H-1:	N(NHH)(H)	H(NN)	N(NH)(H)2	N(NHH)(H)	H(NN)	N(NH)(H)2	111.5093	1.796	3	111.5093	3.225	3	111.5093	3.225	3	111.5093	3.225	3	111.5093	3.225	3	111.5093	3.225	3
941	951	983	0:SP2_SP-NON_SP1	N	H	C	2:1:	2:	3:2:	C-2:H-1:	N-2:	C[6a]-3:N-2:	N(CC[6a])(H)	H(NC)	C(C[6a]C[6a]2)(NH)	N(CC[6a])(H)	H(NC)	C(C[6a]C[6a]2)(NH)	174.5235	0.670	2	174.5235	0.448	2	174.5235	0.448	2	174.5235	0.448	2	174.2291	10.239	8	174.2291	10.239	8
941	951	983	0:SP2_SP-NON_SP1	N	H	C	2:1:	2:	4:2:	C-2:H-1:	N-2:	C-4:N-2:	N(CC)(H)	H(NC)	C(CCHH)(NH)	N(CC)(H)	H(NC)	C(CCHH)(NH)	170.1590	3.800	2	170.1590	14.440	2	174.1310	14.199	6	174.1310	14.199	6	174.2291	10.239	8	174.2291	10.239	8
941	951	983	0:SP2_SP-NON_SP1	N	H	C	2:1:	2:	4:2:	C-2:H-1:	N-2:	C-4:N-2:	N(CC)(H)	H(NC)	C(CH3)(NH)	N(CC)(H)	H(NC)	C(CH3)(NH)	174.6590	0.000	1	174.6590	0.000	1	174.1310	14.199	6	174.1310	14.199	6	174.2291	10.239	8	174.2291	10.239	8
941	951	983	0:SP2_SP-NON_SP1	N	H	C	2:1:	2:	4:2:	C-2:H-1:	N-2:	C-4:N-2:	N(CC)(H)	H(NC)	C(CHHN)(NH)	N(CC)(H)	H(NC)	C(CHHN)(NH)	176.6030	1.788	3	176.6030	3.196	3	174.1310	14.199	6	174.1310	14.199	6	174.2291	10.239	8	174.2291	10.239	8
941	951	992	0:SP2_SP-NON_SP3	N	H	P	4:1:	2:	3:4:4:2:	P-4:H-1:	N-2:	C[6a]-3:C-4:C-4:N-2:	N(PC[6a]CC)(H)	H(NP)	P(C[6a]C[6a]2)(CC3)2(NH)	N(PC[6a]CC)(H)	H(NP)	P(C[6a]C[6a]2)(CC3)2(NH)	116.6380	0.000	1	116.6380	0.000	1	116.6380	0.000	1	116.6380	0.000	1	116.6380	0.000	1	116.6380	0.000	1
941	952	952	0:SP2_SP3_SP3	N	S	S	4:4:	2:1:1:1:	2:1:1:1:	S-4:S-4:	N-2:F-1:O-1:O-1:	N-2:F-1:O-1:O-1:	N(SFOO)2	S(NS)(F)(O)2	S(NS)(F)(O)2	N(SFOO)2	S(NS)(F)(O)2	S(NS)(F)(O)2	120.8113	1.025	3	120.8113	1.050	3	120.8113	1.050	3	120.8113	1.050	3	124.4208	3.308	282	124.4208	3.308	282
941	952	952	0:SP2_SP3_SP3	N	S	S	4:4:	2:4:2:1:	4:2:1:1:	S-4:S-4:	O-2:C-4:N-2:O-1:	C-4:N-2:O-1:O-1:	N(SCOO)2	S(OC[6a])(CF3)(NS)(O)	S(CF3)(NS)(O)2	N(SCOO)2	S(OC[6a])(CF3)(NS)(O)	S(CF3)(NS)(O)2	127.9230	0.000	1	127.9230	0.000	1	127.9230	0.000	1	127.9230	0.000	1	124.4208	3.308	282	124.4208	3.308	282
941	952	952	0:SP2_SP3_SP3	N	S	S	4:4:	3:2:1:1:	3:2:1:1:	S-4:S-4:	C[6a]-3:N-2:O-1:O-1:	C[6]-3:N-2:O-1:O-1:	N(SC[6a]OO)(SC[6]OO)	S(C[6a]C[6a]2)(NS)(O)2	S(C[6]C[6]2)(NS)(O)2	N(SC[6a]OO)(SC[6]OO)	S(C[6a]C[6a]2)(NS)(O)2	S(C[6]C[6]2)(NS)(O)2	122.1230	0.000	1	122.1230	0.000	1	122.1230	0.000	1	121.8829	1.690	9	124.4208	3.308	282	124.4208	3.308	282
941	952	952	0:SP2_SP3_SP3	N	S	S	4:4:	3:2:1:1:	3:2:1:1:	S-4:S-4:	C[6a]-3:N-2:O-1:O-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]OO)2	S(C[6a]C[6a]2)(NS)(O)2	S(C[6a]C[6a]2)(NS)(O)2	N(SC[6a]OO)2	S(C[6a]C[6a]2)(NS)(O)2	S(C[6a]C[6a]2)(NS)(O)2	121.8529	1.386	8	121.8529	1.922	8	121.8529	1.922	8	121.8829	1.690	9	124.4208	3.308	282	124.4208	3.308	282
941	952	952	0:SP2_SP3_SP3	N	S	S	4:4:	3:3:2:1:	3:2:1:1:	S-4:S-4:	C[6a]-3:C-3:N-2:O-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]CO)(SC[6a]OO)	S(C[6a]C[6a]2)(CCH)(NS)(O)	S(C[6a]C[6a]2)(NS)(O)2	N(SC[6a]CO)(SC[6a]OO)	S(C[6a]C[6a]2)(CCH)(NS)(O)	S(C[6a]C[6a]2)(NS)(O)2	121.0445	1.607	2	121.0445	2.583	2	120.2790	1.679	4	121.0600	2.655	9	124.4208	3.308	282	124.4208	3.308	282
941	952	952	0:SP2_SP3_SP3	N	S	S	4:4:	3:3:2:1:	3:2:1:1:	S-4:S-4:	C[6a]-3:C-3:N-2:O-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]CO)(SC[6a]OO)	S(C[6a]C[6a]2)(CSiC)(NS)(O)	S(C[6a]C[6a]2)(NS)(O)2	N(SC[6a]CO)(SC[6a]OO)	S(C[6a]C[6a]2)(CSiC)(NS)(O)	S(C[6a]C[6a]2)(NS)(O)2	119.5135	0.333	2	119.5135	0.111	2	120.2790	1.679	4	121.0600	2.655	9	124.4208	3.308	282	124.4208	3.308	282
941	952	952	0:SP2_SP3_SP3	N	S	S	4:4:	3:3:2:1:	3:2:1:1:	S-4:S-4:	C[6a]-3:N-3:N-2:O-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]NO)(SC[6a]OO)	S(C[6a]C[6a]2)(NC[3x6]H)(NS)(O)	S(C[6a]C[6a]2)(NS)(O)2	N(SC[6a]NO)(SC[6a]OO)	S(C[6a]C[6a]2)(NC[3x6]H)(NS)(O)	S(C[6a]C[6a]2)(NS)(O)2	123.0590	0.793	2	123.0590	0.629	2	122.8907	0.400	3	121.0600	2.655	9	124.4208	3.308	282	124.4208	3.308	282
941	952	952	0:SP2_SP3_SP3	N	S	S	4:4:	3:3:2:1:	3:2:1:1:	S-4:S-4:	C[6a]-3:N-3:N-2:O-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]NO)(SC[6a]OO)	S(C[6a]C[6a]2)(NC[6,6]H)(NS)(O)	S(C[6a]C[6a]2)(NS)(O)2	N(SC[6a]NO)(SC[6a]OO)	S(C[6a]C[6a]2)(NC[6,6]H)(NS)(O)	S(C[6a]C[6a]2)(NS)(O)2	122.5540	0.000	1	122.5540	0.000	1	122.8907	0.400	3	121.0600	2.655	9	124.4208	3.308	282	124.4208	3.308	282
941	952	952	0:SP2_SP3_SP3	N	S	S	4:4:	3:3:2:1:	3:2:1:1:	S-4:S-4:	C[6a]-3:N[3]-3:N-2:O-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]N[3]O)(SC[6a]OO)	S(C[6a]C[6a]2)(N[3]C[3]2)(NS)(O)	S(C[6a]C[6a]2)(NS)(O)2	N(SC[6a]N[3]O)(SC[6a]OO)	S(C[6a]C[6a]2)(N[3]C[3]2)(NS)(O)	S(C[6a]C[6a]2)(NS)(O)2	119.8760	0.327	2	119.8760	0.107	2	119.8760	0.107	2	121.0600	2.655	9	124.4208	3.308	282	124.4208	3.308	282
941	952	952	0:SP2_SP3_SP3	N	S	S	4:4:	3:3:2:1:	3:3:2:2:	S-4:S-4:	C[6a]-3:C[6a]-3:N-2:N-1:	C[6a]-3:C[6a]-3:N-2:N-2:	N(SC[6a]2N)2	S(C[6a]C[6a]2)2(NS)(N)	S(C[6a]C[6a]2)2(NS)2	N(SC[6a]2N)2	S(C[6a]C[6a]2)2(NS)(N)	S(C[6a]C[6a]2)2(NS)2	121.8980	0.000	1	121.8980	0.000	1	121.8980	0.000	1	121.8980	0.000	1	124.4208	3.308	282	124.4208	3.308	282
941	952	952	0:SP2_SP3_SP3	N	S	S	4:4:	3:3:2:2:	3:2:1:1:	S-4:S-4:	C[6a]-3:C[6a]-3:N-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]2N)(SC[6a]OO)	S(C[6a]C[6a]2)2(NC)(NS)	S(C[6a]C[6a]2)(NS)(O)2	N(SC[6a]2N)(SC[6a]OO)	S(C[6a]C[6a]2)2(NC)(NS)	S(C[6a]C[6a]2)(NS)(O)2	120.6360	0.000	1	120.6360	0.000	1	120.6360	0.000	1	120.6360	0.000	1	124.4208	3.308	282	124.4208	3.308	282
941	952	952	0:SP2_SP3_SP3	N	S	S	4:4:	3:4:2:1:	3:2:1:1:	S-4:S-4:	C[6a]-3:C-4:N-2:O-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]CO)(SC[6a]OO)	S(C[6a]C[6a]2)(CCFH)(NS)(O)	S(C[6a]C[6a]2)(NS)(O)2	N(SC[6a]CO)(SC[6a]OO)	S(C[6a]C[6a]2)(CCFH)(NS)(O)	S(C[6a]C[6a]2)(NS)(O)2	121.7187	0.295	3	121.7187	0.087	3	121.3948	0.478	4	121.3948	0.478	4	124.4208	3.308	282	124.4208	3.308	282
941	952	952	0:SP2_SP3_SP3	N	S	S	4:4:	3:4:2:1:	3:2:1:1:	S-4:S-4:	C[6a]-3:C-4:N-2:O-1:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]CO)(SC[6a]OO)	S(C[6a]C[6a]2)(CFFH)(NS)(O)	S(C[6a]C[6a]2)(NS)(O)2	N(SC[6a]CO)(SC[6a]OO)	S(C[6a]C[6a]2)(CFFH)(NS)(O)	S(C[6a]C[6a]2)(NS)(O)2	120.4230	0.000	1	120.4230	0.000	1	121.3948	0.478	4	121.3948	0.478	4	124.4208	3.308	282	124.4208	3.308	282
941	952	952	0:SP2_SP3_SP3	N	S	S	4:4:	3:4:2:2:	3:2:1:1:	S-4:S-4:	C[6a]-3:C-4:N-2:N-2:	C[6a]-3:N-2:O-1:O-1:	N(SC[6a]CN)(SC[6a]OO)	S(C[6a]C[6a]2)(CH3)(NC)(NS)	S(C[6a]C[6a]2)(NS)(O)2	N(SC[6a]CN)(SC[6a]OO)	S(C[6a]C[6a]2)(CH3)(NC)(NS)	S(C[6a]C[6a]2)(NS)(O)2	120.7590	0.000	1	120.7590	0.000	1	120.7590	0.000	1	120.7590	0.000	1	124.4208	3.308	282	124.4208	3.308	282
941	952	952	0:SP2_SP3_SP3	N	S	S	4:4:	4:2:1:1:	4:2:1:1:	S-4:S-4:	C-4:N-2:O-1:O-1:	C-4:N-2:O-1:O-1:	N(SCOO)2	S(CCFF)(NS)(O)2	S(CCFF)(NS)(O)2	N(SCOO)2	S(CCFF)(NS)(O)2	S(CCFF)(NS)(O)2	124.4470	0.000	1	124.4470	0.000	1	124.7246	2.325	238	124.7246	2.325	238	124.4208	3.308	282	124.4208	3.308	282
941	952	952	0:SP2_SP3_SP3	N	S	S	4:4:	4:2:1:1:	4:2:1:1:	S-4:S-4:	C-4:N-2:O-1:O-1:	C-4:N-2:O-1:O-1:	N(SCOO)2	S(CF3)(NS)(O)2	S(CF3)(NS)(O)2	N(SCOO)2	S(CF3)(NS)(O)2	S(CF3)(NS)(O)2	124.9130	1.244	227	124.9130	1.547	227	124.7246	2.325	238	124.7246	2.325	238	124.4208	3.308	282	124.4208	3.308	282
941	952	952	0:SP2_SP3_SP3	N	S	S	4:4:	4:2:1:1:	4:2:1:1:	S-4:S-4:	C-4:N-2:O-1:O-1:	C-4:N-2:O-1:O-1:	N(SCOO)2	S(CH3)(NS)(O)2	S(CH3)(NS)(O)2	N(SCOO)2	S(CH3)(NS)(O)2	S(CH3)(NS)(O)2	120.4756	1.188	10	120.4756	1.410	10	124.7246	2.325	238	124.7246	2.325	238	124.4208	3.308	282	124.4208	3.308	282
941	952	952	0:SP2_SP3_SP3	N	S	S	4:4:	4:2:2:1:	4:2:1:1:	S-4:S-4:	C-4:O-2:N-2:O-1:	C-4:N-2:O-1:O-1:	N(SCOO)2	S(CF3)(OCu)(NS)(O)	S(CF3)(NS)(O)2	N(SCOO)2	S(CF3)(OCu)(NS)(O)	S(CF3)(NS)(O)2	123.7320	0.523	2	123.7320	0.274	2	124.7953	1.684	13	124.7953	1.684	13	124.4208	3.308	282	124.4208	3.308	282
941	952	952	0:SP2_SP3_SP3	N	S	S	4:4:	4:2:2:1:	4:2:1:1:	S-4:S-4:	C-4:O-2:N-2:O-1:	C-4:N-2:O-1:O-1:	N(SCOO)2	S(CF3)(OIr)(NS)(O)	S(CF3)(NS)(O)2	N(SCOO)2	S(CF3)(OIr)(NS)(O)	S(CF3)(NS)(O)2	123.5930	0.000	1	123.5930	0.000	1	124.7953	1.684	13	124.7953	1.684	13	124.4208	3.308	282	124.4208	3.308	282
941	952	952	0:SP2_SP3_SP3	N	S	S	4:4:	4:2:2:1:	4:2:1:1:	S-4:S-4:	C-4:O-2:N-2:O-1:	C-4:N-2:O-1:O-1:	N(SCOO)2	S(CF3)(OLi)(NS)(O)	S(CF3)(NS)(O)2	N(SCOO)2	S(CF3)(OLi)(NS)(O)	S(CF3)(NS)(O)2	124.7940	0.000	1	124.7940	0.000	1	124.7953	1.684	13	124.7953	1.684	13	124.4208	3.308	282	124.4208	3.308	282
941	952	952	0:SP2_SP3_SP3	N	S	S	4:4:	4:2:2:1:	4:2:1:1:	S-4:S-4:	C-4:O-2:N-2:O-1:	C-4:N-2:O-1:O-1:	N(SCOO)2	S(CF3)(OMg)(NS)(O)	S(CF3)(NS)(O)2	N(SCOO)2	S(CF3)(OMg)(NS)(O)	S(CF3)(NS)(O)2	125.6900	1.659	4	125.6900	2.752	4	124.7953	1.684	13	124.7953	1.684	13	124.4208	3.308	282	124.4208	3.308	282
941	952	952	0:SP2_SP3_SP3	N	S	S	4:4:	4:2:2:1:	4:2:1:1:	S-4:S-4:	C-4:O-2:N-2:O-1:	C-4:N-2:O-1:O-1:	N(SCOO)2	S(CF3)(OMn)(NS)(O)	S(CF3)(NS)(O)2	N(SCOO)2	S(CF3)(OMn)(NS)(O)	S(CF3)(NS)(O)2	124.5410	0.000	1	124.5410	0.000	1	124.7953	1.684	13	124.7953	1.684	13	124.4208	3.308	282	124.4208	3.308	282
941	952	952	0:SP2_SP3_SP3	N	S	S	4:4:	4:2:2:1:	4:2:1:1:	S-4:S-4:	C-4:O-2:N-2:O-1:	C-4:N-2:O-1:O-1:	N(SCOO)2	S(CF3)(OPt)(NS)(O)	S(CF3)(NS)(O)2	N(SCOO)2	S(CF3)(OPt)(NS)(O)	S(CF3)(NS)(O)2	125.5010	0.000	1	125.5010	0.000	1	124.7953	1.684	13	124.7953	1.684	13	124.4208	3.308	282	124.4208	3.308	282
941	952	952	0:SP2_SP3_SP3	N	S	S	4:4:	4:2:2:1:	4:2:1:1:	S-4:S-4:	C-4:O-2:N-2:O-1:	C-4:N-2:O-1:O-1:	N(SCOO)2	S(CF3)(OSm)(NS)(O)	S(CF3)(NS)(O)2	N(SCOO)2	S(CF3)(OSm)(NS)(O)	S(CF3)(NS)(O)2	124.5620	1.422	3	124.5620	2.022	3	124.7953	1.684	13	124.7953	1.684	13	124.4208	3.308	282	124.4208	3.308	282
941	952	952	0:SP2_SP3_SP3	N	S	S	4:4:	4:2:2:1:	4:2:2:1:	S-4:S-4:	C-4:O-2:N-2:O-1:	C-4:O-2:N-2:O-1:	N(SCOO)2	S(CF3)(OLi)(NS)(O)	S(CF3)(OLi)(NS)(O)	N(SCOO)2	S(CF3)(OLi)(NS)(O)	S(CF3)(OLi)(NS)(O)	126.5910	0.000	1	126.5910	0.000	1	126.5910	0.000	1	126.5910	0.000	1	124.4208	3.308	282	124.4208	3.308	282
941	952	952	0:SP2_SP3_SP3	N	S	S	4:4:	4:4:4:2:	4:4:4:2:	S-4:S-4:	C-4:C-4:C-4:N-2:	C-4:C-4:C-4:N-2:	N(SC3)2	S(CH3)3(NS)	S(CH3)3(NS)	N(SC3)2	S(CH3)3(NS)	S(CH3)3(NS)	127.5760	0.000	1	127.5760	0.000	1	127.5760	0.000	1	127.5760	0.000	1	124.4208	3.308	282	124.4208	3.308	282
941	952	953	0:SP2_SP-NON_SP3	N	S	I	2:4:	4:2:1:1:	3:2:	I-2:S-4:	C-4:N-2:O-1:O-1:	C[6a]-3:N-2:	N(IC[6a])(SCOO)	S(CF3)(NI)(O)2	I(C[6a]C[6a]2)(NS)	N(IC[6a])(SCOO)	S(CF3)(NI)(O)2	I(C[6a]C[6a]2)(NS)	115.5270	0.052	2	115.5270	0.003	2	115.5270	0.003	2	115.5270	0.003	2	114.9010	4.434	4	114.9010	4.434	4
941	952	953	0:SP2_SP-NON_SP3	N	S	I	4:2:	3:2:1:1:	3:2:	S-4:I-2:	C[6]-3:N-2:O-1:O-1:	C[6a]-3:N-2:	N(SC[6]OO)(IC[6a])	S(C[6]C[6]2)(NI)(O)2	I(C[6a]C[6a]2)(NS)	N(SC[6]OO)(IC[6a])	S(C[6]C[6]2)(NI)(O)2	I(C[6a]C[6a]2)(NS)	116.6970	0.000	1	116.6970	0.000	1	116.6970	0.000	1	114.2750	11.732	2	114.9010	4.434	4	114.9010	4.434	4
941	952	953	0:SP2_SP-NON_SP3	N	S	I	4:2:	3:2:1:1:	3:2:	S-4:I-2:	C[6a]-3:N-2:O-1:O-1:	C[6a]-3:N-2:	N(SC[6a]OO)(IC[6a])	S(C[6a]C[6a]N[6a])(NI)(O)2	I(C[6a]C[6a]2)(NS)	N(SC[6a]OO)(IC[6a])	S(C[6a]C[6a]N[6a])(NI)(O)2	I(C[6a]C[6a]2)(NS)	111.8530	0.000	1	111.8530	0.000	1	111.8530	0.000	1	114.2750	11.732	2	114.9010	4.434	4	114.9010	4.434	4
941	952	955	0:SP2_SP3_SP3	N	S	P[5]	4:4:	2:4:1:1:	3:3:3:2:	P[5]-4:S-4:	N-2:C-4:O-1:O-1:	C[5]-3:C[5]-3:C[6a]-3:N-2:	N(P[5]C[6a]C[5]2)(SCOO)	S(NP[5])(CH3)(O)2	P[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(NS)	N(P[5]C[6a]C[5]2)(SCOO)	S(NP[5])(CH3)(O)2	P[5](C[5]C[5,5]C[6a])2(C[6a]C[6a]2)(NS){2|C<4>,2|H<1>,6|C<3>}	121.8470	0.000	1	121.8470	0.000	1	121.8470	0.000	1	121.8470	0.000	1	125.3910	25.120	2	125.3910	25.120	2
941	952	955	0:SP2_SP3_SP3	N	S	P[5]	4:4:	3:2:1:1:	3:3:3:2:	P[5]-4:S-4:	C[6a]-3:N-2:O-1:O-1:	C[5,6a]-3:C[5,6a]-3:C[6a]-3:N-2:	N(P[5]C[5,6a]2C[6a])(SC[6a]OO)	S(C[6a]C[6a]2)(NP[5])(O)2	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(NS)	N(P[5]C[5,6a]2C[6a])(SC[6a]OO)	S(C[6a]C[6a]2)(NP[5])(O)2	P[5](C[5,6a]C[5,6a]C[6a])2(C[6a]C[6a]2)(NS){4|H<1>,6|C<3>}	128.9350	0.000	1	128.9350	0.000	1	128.9350	0.000	1	128.9350	0.000	1	125.3910	25.120	2	125.3910	25.120	2
941	952	961	0:SP2_SP3_SP3	N	S	S[6]	4:4:	3:2:1:1:	4:4:2:1:	S[6]-4:S-4:	C[6a]-3:N-2:O-1:O-1:	C[6]-4:C[6]-4:N-2:O-1:	N(S[6]C[6]2O)(SC[6a]OO)	S(C[6a]C[6a]2)(NS[6])(O)2	S[6](C[6]C[6]HH)2(NS)(O)	N(S[6]C[6]2O)(SC[6a]OO)	S(C[6a]C[6a]2)(NS[6])(O)2	S[6](C[6]C[6]HH)2(NS)(O){1|C<4>,4|H<1>}	122.1370	0.000	1	122.1370	0.000	1	122.1370	0.000	1	122.1370	0.000	1	122.1370	0.000	1	122.1370	0.000	1
941	952	983	0:SP2_SP1_SP3	N	S	C	4:2:	3:4:2:1:	2:1:	S-4:C-2:	C[6a]-3:C-4:N-2:O-1:	N-2:N-1:	N(SC[6a]CO)(CN)	S(C[6a]C[6a]2)(CC[6a]HH)(NC)(O)	C(NS)(N)	N(SC[6a]CO)(CN)	S(C[6a]C[6a]2)(CC[6a]HH)(NC)(O)	C(NS)(N)	115.5040	0.000	4	115.5040	0.000	4	115.5040	0.000	4	115.5040	0.000	4	115.8278	0.524	5	115.8278	0.524	5
941	952	983	0:SP2_SP1_SP3	N	S	C	4:2:	4:2:1:1:	2:1:	S-4:C-2:	C-4:N-2:O-1:O-1:	N-2:N-1:	N(SCOO)(CN)	S(CF3)(NC)(O)2	C(NS)(N)	N(SCOO)(CN)	S(CF3)(NC)(O)2	C(NS)(N)	117.1230	0.000	1	117.1230	0.000	1	117.1230	0.000	1	117.1230	0.000	1	115.8278	0.524	5	115.8278	0.524	5
941	952	991	0:SP2_SP-NON_SP3	N	S	Br	2:4:	4:2:1:1:	3:2:	Br-2:S-4:	C-4:N-2:O-1:O-1:	C[6a]-3:N-2:	N(BrC[6a])(SCOO)	S(CF3)(NBr)(O)2	Br(C[6a]C[6a]2)(NS)	N(BrC[6a])(SCOO)	S(CF3)(NBr)(O)2	Br(C[6a]C[6a]2)(NS)	112.2330	0.000	1	112.2330	0.000	1	112.2330	0.000	1	112.2330	0.000	1	112.2330	0.000	1	112.2330	0.000	1
941	952	992	0:SP2_SP3_SP3	N	S	P	4:4:	3:2:1:1:	2:2:2:1:	S-4:P-4:	C[6a]-3:N-2:O-1:O-1:	N-2:O-2:O-2:O-1:	N(SC[6a]OO)(PO3)	S(C[6a]C[6a]2)(NP)(O)2	P(NS)(OC)2(O)	N(SC[6a]OO)(PO3)	S(C[6a]C[6a]2)(NP)(O)2	P(NS)(OC)2(O)	125.7430	0.000	1	125.7430	0.000	1	125.7430	0.000	1	125.7430	0.000	1	128.8829	9.344	7	128.8829	9.344	7
941	952	992	0:SP2_SP3_SP3	N	S	P	4:4:	3:2:1:1:	2:2:2:2:	S-4:P-4:	C[6a]-3:N-2:O-1:O-1:	O-2:O-2:O-2:N-2:	N(SC[6a]OO)(PO3)	S(C[6a]C[6a]2)(NP)(O)2	P(OC[6a])3(NS)	N(SC[6a]OO)(PO3)	S(C[6a]C[6a]2)(NP)(O)2	P(OC[6a])3(NS)	127.1960	0.000	1	127.1960	0.000	1	127.1960	0.000	1	127.1960	0.000	1	128.8829	9.344	7	128.8829	9.344	7
941	952	992	0:SP2_SP3_SP3	N	S	P	4:4:	3:2:1:1:	3:3:2:1:	S-4:P-4:	C[6a]-3:N-2:O-1:O-1:	N-3:N-3:N-2:O-1:	N(SC[6a]OO)(PNNO)	S(C[6a]C[6a]2)(NP)(O)2	P(NC[6]C)2(NS)(O)	N(SC[6a]OO)(PNNO)	S(C[6a]C[6a]2)(NP)(O)2	P(NC[6]C)2(NS)(O)	133.0820	0.000	1	133.0820	0.000	1	133.0820	0.000	1	133.0820	0.000	1	128.8829	9.344	7	128.8829	9.344	7
941	952	992	0:SP2_SP3_SP3	N	S	P	4:4:	3:2:1:1:	3:3:3:2:	S-4:P-4:	C[6a]-3:N-2:O-1:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(SC[6a]OO)(PC[6a]3)	S(C[6a]C[6a]2)(NP)(O)2	P(C[6a]C[6a]2)3(NS)	N(SC[6a]OO)(PC[6a]3)	S(C[6a]C[6a]2)(NP)(O)2	P(C[6a]C[6a]2)3(NS)	128.6635	3.774	2	128.6635	14.242	2	128.6635	14.242	2	128.6635	14.242	2	128.8829	9.344	7	128.8829	9.344	7
941	952	992	0:SP2_SP3_SP3	N	S	P	4:4:	4:2:1:1:	3:3:3:2:	P-4:S-4:	C-4:N-2:O-1:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(PC[6a]3)(SCOO)	S(CF3)(NP)(O)2	P(C[6a]C[6a]2)3(NS)	N(PC[6a]3)(SCOO)	S(CF3)(NP)(O)2	P(C[6a]C[6a]2)3(NS)	129.4160	3.289	2	129.4160	10.821	2	129.4160	10.821	2	129.4160	10.821	2	128.8829	9.344	7	128.8829	9.344	7
941	955	955	0:SP2_SP3_SP3	N	P[5]	P[5]	4:4:	2:2:2:1:	2:2:2:1:	P[5]-4:P[5]-4:	O[5]-2:O[5]-2:N-2:S-1:	O[5]-2:O[5]-2:N-2:S-1:	N(P[5]O[5]2S)2	P[5](O[5]C[5])2(NP[5])(S)	P[5](O[5]C[5])2(NP[5])(S)	N(P[5]O[5]2S)2	P[5](O[5]C[5])2(NP[5])(S){4|H<1>}	P[5](O[5]C[5])2(NP[5])(S){4|H<1>}	133.5470	0.000	1	133.5470	0.000	1	133.5470	0.000	1	134.5535	2.026	2	134.5535	2.026	2	134.5535	2.026	2
941	955	955	0:SP2_SP3_SP3	N	P[5]	P[5]	4:4:	2:2:2:1:	2:2:2:1:	P[5]-4:P[5]-4:	S[5]-2:S[5]-2:N-2:S-1:	S[5]-2:S[5]-2:N-2:S-1:	N(P[5]S[5]2S)2	P[5](S[5]C[5])2(NP[5])(S)	P[5](S[5]C[5])2(NP[5])(S)	N(P[5]S[5]2S)2	P[5](S[5]C[5])2(NP[5])(S){4|H<1>}	P[5](S[5]C[5])2(NP[5])(S){4|H<1>}	135.5600	0.000	1	135.5600	0.000	1	135.5600	0.000	1	134.5535	2.026	2	134.5535	2.026	2	134.5535	2.026	2
941	955	983	0:SP2_SP1_SP3	N	P[5,5]	C	4:2:	4:4:3:2:	2:1:	P[5,5]-4:C-2:	C[5,5,6]-4:C[5,5,6]-4:N-3:N-2:	N-2:O-1:	N(P[5,5]C[5,5,6]2N)(CO)	P[5,5](C[5,5,6]C[5,6]2H)2(NSi2)(NC)	C(NP[5,5])(O)	N(P[5,5]C[5,5,6]2N)(CO)	P[5,5](C[5,5,6]C[5,6]2H)2(NSi2)(NC){6|H<1>}	C(NP[5,5])(O)	137.9810	0.000	1	137.9810	0.000	1	137.9810	0.000	1	137.9810	0.000	1	137.9810	0.000	1	139.1820	2.885	2
941	955	983	0:SP2_SP1_SP3	N	P[5]	C	4:2:	4:4:3:2:	2:1:	P[5]-4:C-2:	C[5]-4:C[5]-4:N-3:N-2:	N-2:O-1:	N(P[5]C[5]2N)(CO)	P[5](C[5]C[5]HH)2(NSi2)(NC)	C(NP[5])(O)	N(P[5]C[5]2N)(CO)	P[5](C[5]C[5]HH)2(NSi2)(NC){2|C<4>}	C(NP[5])(O)	140.3830	0.000	1	140.3830	0.000	1	140.3830	0.000	1	140.3830	0.000	1	140.3830	0.000	1	139.1820	2.885	2
941	955	992	0:SP2_SP3_SP3	N	P[5]	P	4:4:	3:3:2:2:	2:2:1:1:	P[5]-4:P-4:	N[5]-3:N[5]-3:N-2:N-2:	N-2:N-2:Cl-1:Cl-1:	N(P[5]N[5]2N)(PCl2N)	P[5](N[5]C[5]C)2(NP)2	P(NP[5])2(Cl)2	N(P[5]N[5]2N)(PCl2N)	P[5](N[5]C[5]C)2(NP)2{4|H<1>}	P(NP[5])2(Cl)2	137.8865	12.081	2	137.8865	145.949	2	137.8865	145.949	2	137.8865	145.949	2	131.7557	39.245	9	131.7557	39.245	9
941	955	992	0:SP2_SP3_SP3	N	P[5]	P	4:4:	3:3:2:2:	2:2:2:1:	P[5]-4:P-4:	N[5]-3:N[5]-3:N-2:N-2:	O-2:N-2:N-2:Cl-1:	N(P[5]N[5]2N)(PClNO)	P[5](N[5]C[5]C)2(NP)2	P(OC[6a])(NP[5])(NP)(Cl)	N(P[5]N[5]2N)(PClNO)	P[5](N[5]C[5]C)2(NP)2{4|H<1>}	P(OC[6a])(NP[5])(NP)(Cl)	128.6502	0.546	4	128.6502	0.298	4	128.6502	0.298	4	128.6502	0.298	4	131.7557	39.245	9	131.7557	39.245	9
941	955	992	0:SP2_SP3_SP3	N	P[5]	P	4:4:	3:3:2:2:	3:3:2:2:	P[5]-4:P-4:	N[5]-3:N[5]-3:N-2:N-2:	N[5]-3:N[5]-3:N-2:N-2:	N(P[5]N[5]2N)(PN[5]2N)	P[5](N[5]C[5]C)2(NP)2	P(N[5]C[5]2)2(NP[5])(NP)	N(P[5]N[5]2N)(PN[5]2N)	P[5](N[5]C[5]C)2(NP)2{4|H<1>}	P(N[5]C[5]2)2(NP[5])(NP)	128.8660	1.181	2	128.8660	1.394	2	128.8660	1.394	2	128.8660	1.394	2	131.7557	39.245	9	131.7557	39.245	9
941	955	992	0:SP2_SP3_SP3	N	P[5]	P	4:4:	4:4:3:2:	2:3:1:1:	P[5]-4:P-4:	C[5]-4:C[5]-4:N-3:N-2:	N-2:N-3:Cl-1:Cl-1:	N(P[5]C[5]2N)(PCl2N)	P[5](C[5]C[5]HH)2(NCC)(NP)	P(NP[5])(NCC)(Cl)2	N(P[5]C[5]2N)(PCl2N)	P[5](C[5]C[5]HH)2(NCC)(NP){2|C<4>}	P(NP[5])(NCC)(Cl)2	137.6950	0.000	1	137.6950	0.000	1	137.6950	0.000	1	137.6950	0.000	1	131.7557	39.245	9	131.7557	39.245	9
941	956	956	0:SP2_SP2_SP2	N	N	N	3:3:	2:1:1:	2:1:1:	N-3:N-3:	N-2:O-1:O-1:	N-2:O-1:O-1:	N(NOO)2	N(NN)(O)2	N(NN)(O)2	N(NOO)2	N(NN)(O)2	N(NN)(O)2	115.4002	0.956	27	115.4002	0.914	27	115.4002	0.914	27	115.4002	0.914	27	114.5450	8.397	37	114.5450	8.397	37
941	956	956	0:SP2_SP2_SP2	N	N	N	3:3:	3:2:1:	2:1:1:	N-3:N-3:	C[6a]-3:N-2:O-1:	N-2:O-1:O-1:	N(NC[6a]O)(NOO)	N(C[6a]C[6a]2)(NN)(O)	N(NN)(O)2	N(NC[6a]O)(NOO)	N(C[6a]C[6a]2)(NN)(O)	N(NN)(O)2	107.2297	0.047	3	107.2297	0.002	3	107.2297	0.002	3	107.2297	0.002	3	114.5450	8.397	37	114.5450	8.397	37
941	956	956	0:SP2_SP2_SP2	N	N	N	3:3:	3:2:1:	3:2:1:	N-3:N-3:	C[6a]-3:N-2:H-1:	C[6a]-3:N-2:O-1:	N(NC[6a]H)(NC[6a]O)	N(C[6a]C[6a]2)(NN)(H)	N(C[6a]C[6a]2)(NN)(O)	N(NC[6a]H)(NC[6a]O)	N(C[6a]C[6a]2)(NN)(H)	N(C[6a]C[6a]2)(NN)(O)	111.9810	0.094	4	111.9810	0.009	4	111.9810	0.009	4	111.9810	0.009	4	114.5450	8.397	37	114.5450	8.397	37
941	956	956	0:SP2_SP2_SP2	N	N	N	3:3:	3:2:1:	4:2:1:	N-3:N-3:	C[6a]-3:N-2:H-1:	C-4:N-2:O-1:	N(NC[6a]H)(NCO)	N(C[6a]C[6a]2)(NN)(H)	N(CH3)(NN)(O)	N(NC[6a]H)(NCO)	N(C[6a]C[6a]2)(NN)(H)	N(CH3)(NN)(O)	112.2620	0.000	1	112.2620	0.000	1	112.2620	0.000	1	112.2620	0.000	1	114.5450	8.397	37	114.5450	8.397	37
941	956	956	0:SP2_SP2_SP2	N	N	N	3:3:	3:2:1:	4:4:2:	N-3:N-3:	C-3:N-2:H-1:	C-4:C-4:N-2:	N(NCC)(NCH)	N(CCO)(NN)(H)	N(CCCH)2(NN)	N(NCC)(NCH)	N(CCO)(NN)(H)	N(CCCH)2(NN)	121.1890	0.000	1	121.1890	0.000	1	121.1890	0.000	1	120.2425	1.792	2	114.5450	8.397	37	114.5450	8.397	37
941	956	956	0:SP2_SP2_SP2	N	N	N	3:3:	3:2:1:	4:4:2:	N-3:N-3:	C[6a]-3:N-2:H-1:	C-4:C-4:N-2:	N(NC[6a]H)(NCC)	N(C[6a]C[6a]2)(NN)(H)	N(CCCH)2(NN)	N(NC[6a]H)(NCC)	N(C[6a]C[6a]2)(NN)(H)	N(CCCH)2(NN)	119.2960	0.000	1	119.2960	0.000	1	119.2960	0.000	1	120.2425	1.792	2	114.5450	8.397	37	114.5450	8.397	37
941	956	983	0:SP2_SP1_SP2	N	N	C	2:3:	3:2:1:	3:2:	C-2:N-3:	C-3:N-2:H-1:	C[6a]-3:N-2:	N(CC[6a])(NCH)	N(CC[6]O)(NC)(H)	C(C[6a]C[6a]2)(NN)	N(CC[6a])(NCH)	N(CC[6]O)(NC)(H)	C(C[6a]C[6a]2)(NN)	117.8180	0.000	1	117.8180	0.000	1	117.8180	0.000	1	117.8180	0.000	1	143.5222	1127.929	11	143.5222	1127.929	11
941	956	983	0:SP2_SP1_SP2	N	N	C	2:3:	4:2:1:	3:2:	C-2:N-3:	S-4:N-2:H-1:	C[6a]-3:N-2:	N(CC[6a])(NHS)	N(SC[6a]OO)(NC)(H)	C(C[6a]C[6a]2)(NN)	N(CC[6a])(NHS)	N(SC[6a]OO)(NC)(H)	C(C[6a]C[6a]2)(NN)	119.9610	0.000	1	119.9610	0.000	1	119.9610	0.000	1	119.9610	0.000	1	143.5222	1127.929	11	143.5222	1127.929	11
941	956	983	0:SP2_SP1_SP2	N	N	C	3:2:	2:1:1:	2:1:	N-3:C-2:	N-2:O-1:O-1:	N-2:N-1:	N(NOO)(CN)	N(NC)(O)2	C(NN)(N)	N(NOO)(CN)	N(NC)(O)2	C(NN)(N)	112.0250	0.451	3	112.0250	0.203	3	112.0250	0.203	3	112.0250	0.203	3	143.5222	1127.929	11	143.5222	1127.929	11
941	956	983	0:SP2_SP1_SP2	N	N	C	3:2:	2:1:1:	2:2:	N-3:C-2:	N-2:O-1:O-1:	N-2:N-2:	N(NOO)(CN)	N(NC)(O)2	C(NCo)(NN)	N(NOO)(CN)	N(NC)(O)2	C(NCo)(NN)	112.4050	0.000	1	112.4050	0.000	1	112.4050	0.000	1	112.4050	0.000	1	143.5222	1127.929	11	143.5222	1127.929	11
941	956	983	0:SP2_SP1_SP2	N	N	C	3:2:	4:4:2:	4:2:	N-3:C-2:	Si-4:Si-4:N-2:	B-4:N-2:	N(NSi2)(CB)	N(SiC3)2(NC)	C(BC[6a]3)(NN)	N(NSi2)(CB)	N(SiC3)2(NC)	C(BC[6a]3)(NN)	177.6840	0.018	2	177.6840	0.000	2	177.6840	0.000	2	178.4970	0.591	5	143.5222	1127.929	11	143.5222	1127.929	11
941	956	983	0:SP2_SP1_SP2	N	N	C	3:2:	4:4:2:	4:2:	N-3:C-2:	Si-4:Si-4:N-2:	C-4:N-2:	N(NSi2)(CC)	N(SiC3)2(NC)	C(CC[6a]3)(NN)	N(NSi2)(CC)	N(SiC3)2(NC)	C(CC[6a]3)(NN)	179.1380	0.000	1	179.1380	0.000	1	179.1380	0.000	1	178.4970	0.591	5	143.5222	1127.929	11	143.5222	1127.929	11
941	956	983	0:SP2_SP1_SP2	N	N	C	3:2:	4:4:2:	4:2:	N-3:C-2:	Si-4:Si-4:N-2:	Si-4:N-2:	N(NSi2)(CSi)	N(SiC3)2(NC)	C(SiC3)(NN)	N(NSi2)(CSi)	N(SiC3)2(NC)	C(SiC3)(NN)	178.9895	0.381	2	178.9895	0.145	2	178.9895	0.145	2	178.4970	0.591	5	143.5222	1127.929	11	143.5222	1127.929	11
941	964	983	0:SP2_SP1_SPD6	N	Si[4,4]	C	6:2:	3:3:3:3:2:2:	2:1:	Si[4,4]-6:C-2:	N[4]-3:N[4]-3:N[4]-3:N[4]-3:N-2:N-2:	N-2:O-1:	N(Si[4,4]N[4]4N)(CO)	Si[4,4](N[4]C[4]C)4(NC)2	C(NSi[4,4])(O)	N(Si[4,4]N[4]4N)(CO)	Si[4,4](N[4]C[4]C)4(NC)2{2|C<3>}	C(NSi[4,4])(O)	152.6650	0.000	1	152.6650	0.000	1	152.6650	0.000	1	157.7610	20.397	3	157.7610	20.397	3	159.8829	57.460	7
941	964	983	0:SP2_SP1_SPD6	N	Si[4,4]	C	6:2:	3:3:3:3:2:2:	2:1:	Si[4,4]-6:C-2:	N[4]-3:N[4]-3:N[4]-3:N[4]-3:N-2:N-2:	N-2:S-1:	N(Si[4,4]N[4]4N)(CS)	Si[4,4](N[4]C[4]C)4(NC)2	C(NSi[4,4])(S)	N(Si[4,4]N[4]4N)(CS)	Si[4,4](N[4]C[4]C)4(NC)2{2|C<3>}	C(NSi[4,4])(S)	160.3090	1.356	2	160.3090	1.839	2	160.3090	1.839	2	157.7610	20.397	3	157.7610	20.397	3	159.8829	57.460	7
941	964	983	0:SP2_SP1_SPD6	N	Si[4,5]	C	6:2:	3:2:3:3:2:2:	2:1:	Si[4,5]-6:C-2:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:N-2:N-2:	N-2:O-1:	N(Si[4,5]N[5,6]N[4]2O[5]N)(CO)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NC)2	C(NSi[4,5])(O)	N(Si[4,5]N[5,6]N[4]2O[5]N)(CO)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NC)2{1|H<1>,4|C<3>}	C(NSi[4,5])(O)	154.6665	5.704	2	154.6665	32.538	2	154.6665	32.538	2	161.4742	93.442	4	161.4742	93.442	4	159.8829	57.460	7
941	964	983	0:SP2_SP1_SPD6	N	Si[4,5]	C	6:2:	3:2:3:3:2:2:	2:1:	Si[4,5]-6:C-2:	N[5,6]-3:O[5]-2:N[4]-3:N[4]-3:N-2:N-2:	N-2:S-1:	N(Si[4,5]N[5,6]N[4]2O[5]N)(CS)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NC)2	C(NSi[4,5])(S)	N(Si[4,5]N[5,6]N[4]2O[5]N)(CS)	Si[4,5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(N[4]C[4]C)2(NC)2{1|H<1>,4|C<3>}	C(NSi[4,5])(S)	168.2820	7.900	2	168.2820	62.407	2	168.2820	62.407	2	161.4742	93.442	4	161.4742	93.442	4	159.8829	57.460	7
941	983	983	0:SP2_SP1_SP1	N	C	C	2:2:	2:1:	2:1:	C-2:C-2:	N-2:N-1:	N-2:N-1:	N(CN)2	C(NC)(N)	C(NC)(N)	N(CN)2	C(NC)(N)	C(NC)(N)	121.2147	5.132	34	121.2147	26.341	34	121.2147	26.341	34	120.8085	31.341	35	120.7552	17.900	123	120.7552	17.900	123
941	983	983	0:SP2_SP1_SP1	N	C	C	2:2:	2:1:	2:1:	C-2:C-2:	N-2:O-1:	N-2:O-1:	N(CO)2	C(NC)(O)	C(NC)(O)	N(CO)2	C(NC)(O)	C(NC)(O)	106.9980	0.000	1	106.9980	0.000	1	106.9980	0.000	1	120.8085	31.341	35	120.7552	17.900	123	120.7552	17.900	123
941	983	983	0:SP2_SP1_SP1	N	C	C	2:2:	2:2:	2:1:	C-2:C-2:	N-2:N-2:	N-2:N-1:	N(CN)2	C(NCd)(NC)	C(NC)(N)	N(CN)2	C(NCd)(NC)	C(NC)(N)	123.0736	1.236	7	123.0736	1.527	7	121.4368	6.568	72	121.4368	6.568	72	120.7552	17.900	123	120.7552	17.900	123
941	983	983	0:SP2_SP1_SP1	N	C	C	2:2:	2:2:	2:1:	C-2:C-2:	N-2:N-2:	N-2:N-1:	N(CN)2	C(NCo)(NC)	C(NC)(N)	N(CN)2	C(NCo)(NC)	C(NC)(N)	120.7487	2.970	9	120.7487	8.818	9	121.4368	6.568	72	121.4368	6.568	72	120.7552	17.900	123	120.7552	17.900	123
941	983	983	0:SP2_SP1_SP1	N	C	C	2:2:	2:2:	2:1:	C-2:C-2:	N-2:N-2:	N-2:N-1:	N(CN)2	C(NCu)(NC)	C(NC)(N)	N(CN)2	C(NCu)(NC)	C(NC)(N)	120.6127	2.257	18	120.6127	5.094	18	121.4368	6.568	72	121.4368	6.568	72	120.7552	17.900	123	120.7552	17.900	123
941	983	983	0:SP2_SP1_SP1	N	C	C	2:2:	2:2:	2:1:	C-2:C-2:	N-2:N-2:	N-2:N-1:	N(CN)2	C(NFe)(NC)	C(NC)(N)	N(CN)2	C(NFe)(NC)	C(NC)(N)	120.8751	2.938	9	120.8751	8.632	9	121.4368	6.568	72	121.4368	6.568	72	120.7552	17.900	123	120.7552	17.900	123
941	983	983	0:SP2_SP1_SP1	N	C	C	2:2:	2:2:	2:1:	C-2:C-2:	N-2:N-2:	N-2:N-1:	N(CN)2	C(NMn)(NC)	C(NC)(N)	N(CN)2	C(NMn)(NC)	C(NC)(N)	123.7657	1.077	4	123.7657	1.160	4	121.4368	6.568	72	121.4368	6.568	72	120.7552	17.900	123	120.7552	17.900	123
941	983	983	0:SP2_SP1_SP1	N	C	C	2:2:	2:2:	2:1:	C-2:C-2:	N-2:N-2:	N-2:N-1:	N(CN)2	C(NNi)(NC)	C(NC)(N)	N(CN)2	C(NNi)(NC)	C(NC)(N)	120.9447	3.013	15	120.9447	9.076	15	121.4368	6.568	72	121.4368	6.568	72	120.7552	17.900	123	120.7552	17.900	123
941	983	983	0:SP2_SP1_SP1	N	C	C	2:2:	2:2:	2:1:	C-2:C-2:	N-2:N-2:	N-2:N-1:	N(CN)2	C(NRe)(NC)	C(NC)(N)	N(CN)2	C(NRe)(NC)	C(NC)(N)	122.1312	0.839	4	122.1312	0.704	4	121.4368	6.568	72	121.4368	6.568	72	120.7552	17.900	123	120.7552	17.900	123
941	983	983	0:SP2_SP1_SP1	N	C	C	2:2:	2:2:	2:1:	C-2:C-2:	N-2:N-2:	N-2:N-1:	N(CN)2	C(NSm)(NC)	C(NC)(N)	N(CN)2	C(NSm)(NC)	C(NC)(N)	124.7330	0.000	1	124.7330	0.000	1	121.4368	6.568	72	121.4368	6.568	72	120.7552	17.900	123	120.7552	17.900	123
941	983	983	0:SP2_SP1_SP1	N	C	C	2:2:	2:2:	2:1:	C-2:C-2:	N-2:N-2:	N-2:N-1:	N(CN)2	C(NZn)(NC)	C(NC)(N)	N(CN)2	C(NZn)(NC)	C(NC)(N)	122.7602	1.829	5	122.7602	3.343	5	121.4368	6.568	72	121.4368	6.568	72	120.7552	17.900	123	120.7552	17.900	123
941	983	983	0:SP2_SP1_SP1	N	C	C	2:2:	2:2:	2:2:	C-2:C-2:	C-2:N-2:	C-2:N-2:	N(CC)2	C(CN)(NC)	C(CN)(NC)	N(CC)2	C(CN)(NC)	C(CN)(NC)	108.6273	1.260	4	108.6273	1.588	4	108.6273	1.588	4	117.2419	33.860	14	120.7552	17.900	123	120.7552	17.900	123
941	983	983	0:SP2_SP1_SP1	N	C	C	2:2:	2:2:	2:2:	C-2:C-2:	N-2:N-2:	N-2:N-2:	N(CN)2	C(NB)(NC)	C(NB)(NC)	N(CN)2	C(NB)(NC)	C(NB)(NC)	123.0670	0.000	1	123.0670	0.000	1	120.6878	2.203	10	117.2419	33.860	14	120.7552	17.900	123	120.7552	17.900	123
941	983	983	0:SP2_SP1_SP1	N	C	C	2:2:	2:2:	2:2:	C-2:C-2:	N-2:N-2:	N-2:N-2:	N(CN)2	C(NC)(NU)	C(NC)(NU)	N(CN)2	C(NC)(NU)	C(NC)(NU)	121.1315	0.180	2	121.1315	0.033	2	120.6878	2.203	10	117.2419	33.860	14	120.7552	17.900	123	120.7552	17.900	123
941	983	983	0:SP2_SP1_SP1	N	C	C	2:2:	2:2:	2:2:	C-2:C-2:	N-2:N-2:	N-2:N-2:	N(CN)2	C(NCd)(NC)	C(NCd)(NC)	N(CN)2	C(NCd)(NC)	C(NCd)(NC)	121.6970	0.000	1	121.6970	0.000	1	120.6878	2.203	10	117.2419	33.860	14	120.7552	17.900	123	120.7552	17.900	123
941	983	983	0:SP2_SP1_SP1	N	C	C	2:2:	2:2:	2:2:	C-2:C-2:	N-2:N-2:	N-2:N-2:	N(CN)2	C(NCu)(NC)	C(NCu)(NC)	N(CN)2	C(NCu)(NC)	C(NCu)(NC)	119.0550	0.467	2	119.0550	0.218	2	120.6878	2.203	10	117.2419	33.860	14	120.7552	17.900	123	120.7552	17.900	123
941	983	983	0:SP2_SP1_SP1	N	C	C	2:2:	2:2:	2:2:	C-2:C-2:	N-2:N-2:	N-2:N-2:	N(CN)2	C(NNi)(NC)	C(NNi)(NC)	N(CN)2	C(NNi)(NC)	C(NNi)(NC)	120.6715	2.501	2	120.6715	6.255	2	120.6878	2.203	10	117.2419	33.860	14	120.7552	17.900	123	120.7552	17.900	123
941	983	983	0:SP2_SP1_SP1	N	C	C	2:2:	2:2:	2:2:	C-2:C-2:	N-2:N-2:	N-2:N-2:	N(CN)2	C(NTi)(NC)	C(NTi)(NC)	N(CN)2	C(NTi)(NC)	C(NTi)(NC)	120.1990	0.660	2	120.1990	0.436	2	120.6878	2.203	10	117.2419	33.860	14	120.7552	17.900	123	120.7552	17.900	123
941	983	983	0:SP2_SP1_SP1	N	C	C	2:2:	3:2:	2:2:	C-2:C-2:	C[6]-3:N-2:	C-2:N-2:	N(CC[6])(CC)	C(C[6]C[6]2)(NC)	C(CN)(NC)	N(CC[6])(CC)	C(C[6]C[6]2)(NC)	C(CN)(NC)	119.8775	1.944	2	119.8775	3.779	2	119.8775	3.779	2	119.8775	3.779	2	120.7552	17.900	123	120.7552	17.900	123
941	983	984	0:SP2_SP-NON_SP1	N	C	Ga	4:2:	4:2:	2:1:1:1:	Ga-4:C-2:	C-4:N-2:	N-2:Cl-1:Cl-1:Cl-1:	N(GaCl3)(CC)	C(CH3)(NGa)	Ga(NC)(Cl)3	N(GaCl3)(CC)	C(CH3)(NGa)	Ga(NC)(Cl)3	179.2350	0.000	1	179.2350	0.000	1	179.2350	0.000	1	179.2350	0.000	1	179.2350	0.000	1	179.2350	0.000	1
941	983	992	0:SP2_SP1_SP3	N	C	P	4:2:	2:1:	2:1:1:1:	P-4:C-2:	N-2:O-1:	N-2:F-1:F-1:O-1:	N(PFFO)(CO)	C(NP)(O)	P(NC)(F)2(O)	N(PFFO)(CO)	C(NP)(O)	P(NC)(F)2(O)	132.4930	0.000	1	132.4930	0.000	1	132.4930	0.000	1	132.4930	0.000	1	129.1770	24.211	8	129.1770	24.211	8
941	983	992	0:SP2_SP1_SP3	N	C	P	4:2:	2:1:	3:3:2:2:	P-4:C-2:	N-2:N-1:	C[6a]-3:C[6]-3:N-2:N-2:	N(PC[6a]C[6]N)(CN)	C(NP)(N)	P(C[6a]C[6a]2)(C[6]C[6]2)(NC)2	N(PC[6a]C[6]N)(CN)	C(NP)(N)	P(C[6a]C[6a]2)(C[6]C[6]2)(NC)2	124.9360	0.000	1	124.9360	0.000	1	124.9360	0.000	1	124.9360	0.000	1	129.1770	24.211	8	129.1770	24.211	8
941	983	992	0:SP2_SP1_SP3	N	C	P	4:2:	2:2:	3:3:2:2:	P-4:C-2:	N-2:N-2:	C[6a]-3:C[6]-3:N-2:N-2:	N(PC[6a]C[6]N)(CN)	C(NCu)(NP)	P(C[6a]C[6a]2)(C[6]C[6]2)(NC)2	N(PC[6a]C[6]N)(CN)	C(NCu)(NP)	P(C[6a]C[6a]2)(C[6]C[6]2)(NC)2	130.3900	0.000	1	130.3900	0.000	1	130.3900	0.000	1	127.8323	8.220	3	129.1770	24.211	8	129.1770	24.211	8
941	983	992	0:SP2_SP1_SP3	N	C	P	4:2:	2:2:	3:3:2:2:	P-4:C-2:	N-2:N-2:	C[6a]-3:C[6a]-3:N-2:N-2:	N(PC[6a]2N)(CN)	C(NCu)(NP)	P(C[6a]C[6a]2)2(NC)2	N(PC[6a]2N)(CN)	C(NCu)(NP)	P(C[6a]C[6a]2)2(NC)2	126.5535	2.575	2	126.5535	6.628	2	126.5535	6.628	2	127.8323	8.220	3	129.1770	24.211	8	129.1770	24.211	8
941	983	992	0:SP2_SP1_SP3	N	C	P	4:2:	2:2:	3:3:3:2:	P-4:C-2:	N-2:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(PC[6a]3)(CN)	C(NPd)(NP)	P(C[6a]C[6a]2)3(NC)	N(PC[6a]3)(CN)	C(NPd)(NP)	P(C[6a]C[6a]2)3(NC)	122.2920	0.000	1	122.2920	0.000	1	122.2920	0.000	1	122.2920	0.000	1	129.1770	24.211	8	129.1770	24.211	8
941	983	992	0:SP2_SP1_SP3	N	C	P	4:2:	2:2:	4:4:2:2:	P-4:C-2:	N-2:N-2:	C-4:C-4:O-2:N-2:	N(PCCO)(CN)	C(NC[6a])(NP)	P(CC3)2(OAl)(NC)	N(PCCO)(CN)	C(NC[6a])(NP)	P(CC3)2(OAl)(NC)	135.0990	1.041	2	135.0990	1.083	2	135.0990	1.083	2	135.0990	1.083	2	129.1770	24.211	8	129.1770	24.211	8
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	2:1:1:1:	2:1:1:1:	P-4:P-4:	N-2:Cl-1:Cl-1:Cl-1:	N-2:Cl-1:Cl-1:Cl-1:	N(PCl3)2	P(NP)(Cl)3	P(NP)(Cl)3	N(PCl3)2	P(NP)(Cl)3	P(NP)(Cl)3	138.4622	4.508	5	138.4622	20.324	5	138.4622	20.324	5	138.4622	20.324	5	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	2:1:1:1:	2:2:2:2:	P-4:P-4:	N-2:Cl-1:Cl-1:Cl-1:	N-2:N-2:N-2:N-2:	N(PCl3)(PN3)	P(NP)(Cl)3	P(NP)4	N(PCl3)(PN3)	P(NP)(Cl)3	P(NP)4	137.0573	5.319	3	137.0573	28.292	3	137.0573	28.292	3	137.0573	28.292	3	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	2:2:1:1:	2:1:1:1:	P-4:P-4:	N-2:N-2:Cl-1:Cl-1:	N-2:Cl-1:Cl-1:Cl-1:	N(PCl2N)(PCl3)	P(NP)2(Cl)2	P(NP)(Cl)3	N(PCl2N)(PCl3)	P(NP)2(Cl)2	P(NP)(Cl)3	145.2553	9.969	3	145.2553	99.376	3	145.2553	99.376	3	145.2553	99.376	3	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	2:2:1:1:	2:2:1:1:	P-4:P-4:	N-2:N-2:Cl-1:Cl-1:	N-2:N-2:Cl-1:Cl-1:	N(PCl2N)2	P(NC)(NP)(Cl)2	P(NP)2(Cl)2	N(PCl2N)2	P(NC)(NP)(Cl)2	P(NP)2(Cl)2	133.7295	4.506	2	133.7295	20.308	2	134.9254	14.176	7	135.5669	12.237	10	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	2:2:1:1:	2:2:1:1:	P-4:P-4:	N-2:N-2:Cl-1:Cl-1:	N-2:N-2:Cl-1:Cl-1:	N(PCl2N)2	P(NP)2(Cl)2	P(NP)2(Cl)2	N(PCl2N)2	P(NP)2(Cl)2	P(NP)2(Cl)2	133.9510	0.505	2	133.9510	0.255	2	134.9254	14.176	7	135.5669	12.237	10	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	2:2:1:1:	2:2:1:1:	P-4:P-4:	N-2:N-2:Cl-1:Cl-1:	N-2:N-2:Cl-1:Cl-1:	N(PCl2N)2	P(NP[6])(NP)(Cl)2	P(NP)2(Cl)2	N(PCl2N)2	P(NP[6])(NP)(Cl)2	P(NP)2(Cl)2	133.8755	4.006	2	133.8755	16.046	2	134.9254	14.176	7	135.5669	12.237	10	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	2:2:1:1:	2:2:1:1:	P-4:P-4:	N-2:N-2:Cl-1:Cl-1:	N-2:N-2:Cl-1:Cl-1:	N(PCl2N)2	P(NP[6])(NP)(Cl)2	P(NP[6])(NP)(Cl)2	N(PCl2N)2	P(NP[6])(NP)(Cl)2	P(NP[6])(NP)(Cl)2	141.3660	0.000	1	141.3660	0.000	1	134.9254	14.176	7	135.5669	12.237	10	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	2:2:1:1:	2:2:1:1:	P-4:P-4:	N-2:N-2:F-1:F-1:	N-2:N-2:F-1:F-1:	N(PFFN)2	P(NP)2(F)2	P(NP)2(F)2	N(PFFN)2	P(NP)2(F)2	P(NP)2(F)2	137.0637	2.782	3	137.0637	7.739	3	137.0637	7.739	3	135.5669	12.237	10	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	2:2:2:1:	2:1:1:1:	P-4:P-4:	N-2:N-2:N-2:Cl-1:	N-2:Cl-1:Cl-1:Cl-1:	N(PClNN)(PCl3)	P(NC)2(NP)(Cl)	P(NP)(Cl)3	N(PClNN)(PCl3)	P(NC)2(NP)(Cl)	P(NP)(Cl)3	136.6870	0.000	1	136.6870	0.000	1	136.6870	0.000	1	136.6870	0.000	1	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	2:2:2:1:	2:2:1:1:	P-4:P-4:	N-2:N-2:O-2:F-1:	N-2:N-2:F-1:F-1:	N(PFFN)(PFNO)	P(NP)2(OC)(F)	P(NP)2(F)2	N(PFFN)(PFNO)	P(NP)2(OC)(F)	P(NP)2(F)2	136.5460	0.000	1	136.5460	0.000	1	136.5460	0.000	1	132.1197	17.972	9	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	2:2:2:1:	2:2:1:1:	P-4:P-4:	O-2:N-2:N-2:Cl-1:	N-2:N-2:Cl-1:Cl-1:	N(PCl2N)(PClNO)	P(OC[6a])(NP)2(Cl)	P(NP)2(Cl)2	N(PCl2N)(PClNO)	P(OC[6a])(NP)2(Cl)	P(NP)2(Cl)2	133.0910	5.589	4	133.0910	31.236	4	131.5664	17.391	8	132.1197	17.972	9	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	2:2:2:1:	2:2:1:1:	P-4:P-4:	O-2:N-2:N-2:Cl-1:	N-2:N-2:Cl-1:Cl-1:	N(PCl2N)(PClNO)	P(OC[6a])(NP[5])(NP)(Cl)	P(NP)2(Cl)2	N(PCl2N)(PClNO)	P(OC[6a])(NP[5])(NP)(Cl)	P(NP)2(Cl)2	129.0050	0.481	2	129.0050	0.231	2	131.5664	17.391	8	132.1197	17.972	9	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	2:2:2:1:	2:2:1:1:	P-4:P-4:	O-2:N-2:N-2:Cl-1:	N-2:N-2:Cl-1:Cl-1:	N(PCl2N)(PClNO)	P(OC[6a])(NP[6])(NP)(Cl)	P(NP)2(Cl)2	N(PCl2N)(PClNO)	P(OC[6a])(NP[6])(NP)(Cl)	P(NP)2(Cl)2	131.0785	2.214	2	131.0785	4.902	2	131.5664	17.391	8	132.1197	17.972	9	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	2:2:2:1:	2:2:2:1:	P-4:P-4:	N-2:N-2:O-2:Cl-1:	N-2:N-2:O-2:Cl-1:	N(PClNO)2	P(NP)2(OC)(Cl)	P(NP)2(OC)(Cl)	N(PClNO)2	P(NP)2(OC)(Cl)	P(NP)2(OC)(Cl)	129.3375	0.070	2	129.3375	0.005	2	129.3375	0.005	2	128.2567	3.507	3	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	2:2:2:1:	2:2:2:1:	P-4:P-4:	N-2:N-2:O-2:F-1:	N-2:N-2:O-2:F-1:	N(PFNO)2	P(NP)2(OC)(F)	P(NP)2(OC)(F)	N(PFNO)2	P(NP)2(OC)(F)	P(NP)2(OC)(F)	126.0950	0.000	1	126.0950	0.000	1	126.0950	0.000	1	128.2567	3.507	3	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	2:2:2:1:	2:2:2:2:	P-4:P-4:	N-2:N-2:O-2:Cl-1:	N-2:N-2:O-2:O-2:	N(PClNO)(PNOO)	P(NP)2(OC)(Cl)	P(NP)2(OC)2	N(PClNO)(PNOO)	P(NP)2(OC)(Cl)	P(NP)2(OC)2	122.0282	1.235	4	122.0282	1.524	4	122.0282	1.524	4	126.8166	115.784	5	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	2:2:2:1:	2:2:2:2:	P-4:P-4:	O-2:O-2:N-2:O-1:	O-2:O-2:O-2:N-2:	N(PO3)2	P(OC[6a])2(NP)(O)	P(OC[6a])3(NP)	N(PO3)2	P(OC[6a])2(NP)(O)	P(OC[6a])3(NP)	145.9700	0.000	1	145.9700	0.000	1	145.9700	0.000	1	126.8166	115.784	5	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	2:2:2:1:	3:3:2:2:	P-4:P-4:	O-2:N-2:N-2:Cl-1:	N[6]-3:N[6]-3:N-2:N-2:	N(PN[6]2N)(PClNO)	P(OC[6a])(NP[5])(NP)(Cl)	P(N[6]C[6]2)2(NP)2	N(PN[6]2N)(PClNO)	P(OC[6a])(NP[5])(NP)(Cl)	P(N[6]C[6]2)2(NP)2	134.2135	4.543	2	134.2135	20.640	2	134.2135	20.640	2	134.2135	20.640	2	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	2:2:2:2:	2:2:1:1:	P-4:P-4:	N-2:N-2:O-2:O-2:	N-2:N-2:F-1:F-1:	N(PFFN)(PNOO)	P(NP)2(OC)2	P(NP)2(F)2	N(PFFN)(PNOO)	P(NP)2(OC)2	P(NP)2(F)2	136.1695	1.428	2	136.1695	2.038	2	136.1695	2.038	2	139.7362	143.696	6	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	2:2:2:2:	2:2:1:1:	P-4:P-4:	O-2:O-2:N-2:N-2:	N-2:N-2:Cl-1:Cl-1:	N(PCl2N)(PNOO)	P(OC[6a])2(NP)2	P(NP)2(Cl)2	N(PCl2N)(PNOO)	P(OC[6a])2(NP)2	P(NP)2(Cl)2	141.5195	15.036	4	141.5195	226.092	4	141.5195	226.092	4	139.7362	143.696	6	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	2:2:2:2:	2:2:2:2:	P-4:P-4:	N-2:N-2:O-2:O-2:	N-2:N-2:O-2:O-2:	N(PNOO)2	P(NP)2(OC)2	P(NP)2(OC)2	N(PNOO)2	P(NP)2(OC)2	P(NP)2(OC)2	123.9765	0.320	2	123.9765	0.103	2	123.9765	0.103	2	133.4030	67.794	8	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	2:2:2:2:	2:2:2:2:	P-4:P-4:	O-2:O-2:N-2:N-2:	O-2:O-2:N-2:N-2:	N(PNOO)2	P(OC[6a])2(NP)2	P(OC[6])2(NP)2	N(PNOO)2	P(OC[6a])2(NP)2	P(OC[6])2(NP)2	131.5760	10.816	2	131.5760	116.984	2	136.5452	47.500	6	133.4030	67.794	8	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	2:2:2:2:	2:2:2:2:	P-4:P-4:	O-2:O-2:N-2:N-2:	O-2:O-2:N-2:N-2:	N(PNOO)2	P(OC[6a])2(NP)2	P(OC[6a])2(NP)2	N(PNOO)2	P(OC[6a])2(NP)2	P(OC[6a])2(NP)2	139.0298	3.934	4	139.0298	15.480	4	136.5452	47.500	6	133.4030	67.794	8	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	2:3:3:2:	3:3:3:2:	P-4:P-4:	N-2:N-3:N-3:N-2:	N-3:N-3:N-3:N-2:	N(PN3)2	P(NC[6a])(NCC)2(NP)	P(NCC)3(NP)	N(PN3)2	P(NC[6a])(NCC)2(NP)	P(NCC)3(NP)	143.2608	10.066	4	143.2608	101.322	4	143.2608	101.322	4	143.2608	101.322	4	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	2:4:4:2:	2:4:4:2:	P-4:P-4:	Se-2:C-4:C-4:N-2:	Se-2:C-4:C-4:N-2:	N(PSeCC)2	P(SeTe)(CC3)2(NP)	P(SeTe)(CC3)2(NP)	N(PSeCC)2	P(SeTe)(CC3)2(NP)	P(SeTe)(CC3)2(NP)	151.0410	0.000	1	151.0410	0.000	1	151.0410	0.000	1	151.0410	0.000	1	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:2:1:1:	2:1:1:1:	P-4:P-4:	N-3:N-2:Cl-1:Cl-1:	N-2:Cl-1:Cl-1:O-1:	N(PCl2N)(PCl2O)	P(NCC)(NP)(Cl)2	P(NP)(Cl)2(O)	N(PCl2N)(PCl2O)	P(NCC)(NP)(Cl)2	P(NP)(Cl)2(O)	134.0700	0.000	1	134.0700	0.000	1	134.0700	0.000	1	134.0700	0.000	1	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:2:2:1:	2:2:1:1:	P-4:P-4:	N-3:N-2:N-2:Cl-1:	N-2:N-2:Cl-1:Cl-1:	N(PCl2N)(PClNN)	P(NC[6a]H)(NP)2(Cl)	P(NP)2(Cl)2	N(PCl2N)(PClNN)	P(NC[6a]H)(NP)2(Cl)	P(NP)2(Cl)2	132.1570	4.348	4	132.1570	18.905	4	132.1570	18.905	4	132.1570	18.905	4	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:1:	2:2:2:1:	P-4:P-4:	C[6a]-3:C[6a]-3:N-2:S-1:	O-2:O-2:N-2:O-1:	N(PC[6a]2S)(PO3)	P(C[6a]C[6a]2)2(NP)(S)	P(OC[6a])2(NP)(O)	N(PC[6a]2S)(PO3)	P(C[6a]C[6a]2)2(NP)(S)	P(OC[6a])2(NP)(O)	130.7430	0.000	1	130.7430	0.000	1	130.7430	0.000	1	130.7430	0.000	1	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:1:	3:3:2:1:	P-4:P-4:	C[6a]-3:C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:N-2:O-1:	N(PC[6a]2O)2	P(C[6a]C[6a]2)2(NP)(O)	P(C[6a]C[6a]2)2(NP)(O)	N(PC[6a]2O)2	P(C[6a]C[6a]2)2(NP)(O)	P(C[6a]C[6a]2)2(NP)(O)	141.8620	0.000	1	141.8620	0.000	1	141.8620	0.000	1	137.9753	11.336	3	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:1:	3:3:2:1:	P-4:P-4:	C[6a]-3:C[6a]-3:N-2:S-1:	C[6a]-3:C[6a]-3:N-2:S-1:	N(PC[6a]2S)2	P(C[6a]C[6a]2)2(NP)(S)	P(C[6a]C[6a]2)2(NP)(S)	N(PC[6a]2S)2	P(C[6a]C[6a]2)2(NP)(S)	P(C[6a]C[6a]2)2(NP)(S)	136.1110	0.000	1	136.1110	0.000	1	136.1110	0.000	1	137.9753	11.336	3	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:1:	3:3:2:1:	P-4:P-4:	C[6a]-3:C[6a]-3:N-2:Se-1:	C[6a]-3:C[6a]-3:N-2:Se-1:	N(PC[6a]2Se)2	P(C[6a]C[6a]2)2(NP)(Se)	P(C[6a]C[6a]2)2(NP)(Se)	N(PC[6a]2Se)2	P(C[6a]C[6a]2)2(NP)(Se)	P(C[6a]C[6a]2)2(NP)(Se)	135.9530	0.000	1	135.9530	0.000	1	135.9530	0.000	1	137.9753	11.336	3	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:1:	3:3:3:2:	P-4:P-4:	C[6a]-3:C[6a]-3:N-2:O-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(PC[6a]2O)(PC[6a]3)	P(C[6a]C[6a]2)2(NP)(O)	P(C[6a]C[6a]2)3(NP)	N(PC[6a]2O)(PC[6a]3)	P(C[6a]C[6a]2)2(NP)(O)	P(C[6a]C[6a]2)3(NP)	146.3560	0.000	1	146.3560	0.000	1	146.3560	0.000	1	142.7425	26.115	2	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:1:	3:3:3:2:	P-4:P-4:	N-3:N-3:N-2:Br-1:	N-3:N-3:N-3:N-2:	N(PBrNN)(PN3)	P(NCC)2(NP)(Br)	P(NCC)3(NP)	N(PBrNN)(PN3)	P(NCC)2(NP)(Br)	P(NCC)3(NP)	139.1290	0.000	1	139.1290	0.000	1	139.1290	0.000	1	142.7425	26.115	2	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:2:	2:2:1:1:	P-4:P-4:	N-3:N-3:N-2:N-2:	N-2:N-2:Cl-1:Cl-1:	N(PCl2N)(PN3)	P(NCC)2(NP)2	P(NP)2(Cl)2	N(PCl2N)(PN3)	P(NCC)2(NP)2	P(NP)2(Cl)2	131.8240	2.570	2	131.8240	6.603	2	131.8240	6.603	2	131.8240	6.603	2	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:2:	2:2:2:2:	P-4:P-4:	C[6a]-3:C[6a]-3:S-2:N-2:	O-2:O-2:S-2:N-2:	N(PC[6a]2S)(POOS)	P(C[6a]C[6a]2)2(SPd)(NP)	P(OC[6a])2(SPd)(NP)	N(PC[6a]2S)(POOS)	P(C[6a]C[6a]2)2(SPd)(NP)	P(OC[6a])2(SPd)(NP)	132.9570	0.000	1	132.9570	0.000	1	132.9570	0.000	1	132.9570	0.000	1	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:2:	3:3:2:1:	P-4:P-4:	C[6a]-3:C[6a]-3:N-2:O-2:	C[6a]-3:C[6a]-3:N-2:Se-1:	N(PC[6a]2Se)(PC[6a]2O)	P(C[6a]C[6a]2)2(NP)(OP)	P(C[6a]C[6a]2)2(NP)(Se)	N(PC[6a]2Se)(PC[6a]2O)	P(C[6a]C[6a]2)2(NP)(OP)	P(C[6a]C[6a]2)2(NP)(Se)	135.6090	0.000	1	135.6090	0.000	1	135.6090	0.000	1	135.6090	0.000	1	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:2:	3:3:2:2:	P-4:P-4:	C[6a]-3:C[6]-3:Se-2:N-2:	C[6a]-3:C[6a]-3:O-2:N-2:	N(PC[6a]C[6]Se)(PC[6a]2O)	P(C[6a]C[6a]2)(C[6]C[6]2)(SeNi)(NP)	P(C[6a]C[6a]2)2(ONi)(NP)	N(PC[6a]C[6]Se)(PC[6a]2O)	P(C[6a]C[6a]2)(C[6]C[6]2)(SeNi)(NP)	P(C[6a]C[6a]2)2(ONi)(NP)	132.5410	0.000	1	132.5410	0.000	1	132.5410	0.000	1	129.6711	17.132	67	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:2:	3:3:2:2:	P-4:P-4:	C[6a]-3:C[6a]-3:N-2:P-2:	C[6a]-3:C[6a]-3:N-2:P-2:	N(PC[6a]2P)2	P(C[6a]C[6a]2)2(NP)(PP)	P(C[6a]C[6a]2)2(NP)(PP)	N(PC[6a]2P)2	P(C[6a]C[6a]2)2(NP)(PP)	P(C[6a]C[6a]2)2(NP)(PP)	130.9350	0.000	1	130.9350	0.000	1	130.9350	0.000	1	129.6711	17.132	67	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:2:	3:3:2:2:	P-4:P-4:	C[6a]-3:C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:O-2:N-2:	N(PC[6a]2O)2	P(C[6a]C[6a]2)2(OIr)(NP)	P(C[6a]C[6a]2)2(OIr)(NP)	N(PC[6a]2O)2	P(C[6a]C[6a]2)2(OIr)(NP)	P(C[6a]C[6a]2)2(OIr)(NP)	126.6164	2.408	14	126.6164	5.801	14	125.9481	6.321	18	129.6711	17.132	67	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:2:	3:3:2:2:	P-4:P-4:	C[6a]-3:C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:O-2:N-2:	N(PC[6a]2O)2	P(C[6a]C[6a]2)2(OPt)(NP)	P(C[6a]C[6a]2)2(OPt)(NP)	N(PC[6a]2O)2	P(C[6a]C[6a]2)2(OPt)(NP)	P(C[6a]C[6a]2)2(OPt)(NP)	124.1380	1.574	2	124.1380	2.478	2	125.9481	6.321	18	129.6711	17.132	67	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:2:	3:3:2:2:	P-4:P-4:	C[6a]-3:C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:O-2:N-2:	N(PC[6a]2O)2	P(C[6a]C[6a]2)2(ORu)(NP)	P(C[6a]C[6a]2)2(ORu)(NP)	N(PC[6a]2O)2	P(C[6a]C[6a]2)2(ORu)(NP)	P(C[6a]C[6a]2)2(ORu)(NP)	123.0805	0.561	2	123.0805	0.314	2	125.9481	6.321	18	129.6711	17.132	67	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:2:	3:3:2:2:	P-4:P-4:	C[6a]-3:C[6a]-3:O-2:N-2:	C[6a]-3:C[6a]-3:S-2:N-2:	N(PC[6a]2O)(PC[6a]2S)	P(C[6a]C[6a]2)2(ONi)(NP)	P(C[6a]C[6a]2)2(SNi)(NP)	N(PC[6a]2O)(PC[6a]2S)	P(C[6a]C[6a]2)2(ONi)(NP)	P(C[6a]C[6a]2)2(SNi)(NP)	131.6410	0.000	1	131.6410	0.000	1	131.6410	0.000	1	129.6711	17.132	67	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:2:	3:3:2:2:	P-4:P-4:	C[6a]-3:C[6a]-3:S-2:N-2:	C[6a]-3:C[6a]-3:S-2:N-2:	N(PC[6a]2S)2	P(C[6a]C[6a]2)2(SAg)(NP)	P(C[6a]C[6a]2)2(SAg)(NP)	N(PC[6a]2S)2	P(C[6a]C[6a]2)2(SAg)(NP)	P(C[6a]C[6a]2)2(SAg)(NP)	128.6955	0.223	2	128.6955	0.050	2	129.8743	13.941	23	129.6711	17.132	67	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:2:	3:3:2:2:	P-4:P-4:	C[6a]-3:C[6a]-3:S-2:N-2:	C[6a]-3:C[6a]-3:S-2:N-2:	N(PC[6a]2S)2	P(C[6a]C[6a]2)2(SIr)(NP)	P(C[6a]C[6a]2)2(SIr)(NP)	N(PC[6a]2S)2	P(C[6a]C[6a]2)2(SIr)(NP)	P(C[6a]C[6a]2)2(SIr)(NP)	132.4884	1.218	5	132.4884	1.483	5	129.8743	13.941	23	129.6711	17.132	67	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:2:	3:3:2:2:	P-4:P-4:	C[6a]-3:C[6a]-3:S-2:N-2:	C[6a]-3:C[6a]-3:S-2:N-2:	N(PC[6a]2S)2	P(C[6a]C[6a]2)2(SMo)(NP)	P(C[6a]C[6a]2)2(SMo)(NP)	N(PC[6a]2S)2	P(C[6a]C[6a]2)2(SMo)(NP)	P(C[6a]C[6a]2)2(SMo)(NP)	134.7117	0.804	3	134.7117	0.646	3	129.8743	13.941	23	129.6711	17.132	67	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:2:	3:3:2:2:	P-4:P-4:	C[6a]-3:C[6a]-3:S-2:N-2:	C[6a]-3:C[6a]-3:S-2:N-2:	N(PC[6a]2S)2	P(C[6a]C[6a]2)2(SNi)(NP)	P(C[6a]C[6a]2)2(SNi)(NP)	N(PC[6a]2S)2	P(C[6a]C[6a]2)2(SNi)(NP)	P(C[6a]C[6a]2)2(SNi)(NP)	119.8310	0.000	1	119.8310	0.000	1	129.8743	13.941	23	129.6711	17.132	67	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:2:	3:3:2:2:	P-4:P-4:	C[6a]-3:C[6a]-3:S-2:N-2:	C[6a]-3:C[6a]-3:S-2:N-2:	N(PC[6a]2S)2	P(C[6a]C[6a]2)2(SOs)(NP)	P(C[6a]C[6a]2)2(SOs)(NP)	N(PC[6a]2S)2	P(C[6a]C[6a]2)2(SOs)(NP)	P(C[6a]C[6a]2)2(SOs)(NP)	126.7430	0.515	2	126.7430	0.265	2	129.8743	13.941	23	129.6711	17.132	67	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:2:	3:3:2:2:	P-4:P-4:	C[6a]-3:C[6a]-3:S-2:N-2:	C[6a]-3:C[6a]-3:S-2:N-2:	N(PC[6a]2S)2	P(C[6a]C[6a]2)2(SRe)(NP)	P(C[6a]C[6a]2)2(SRe)(NP)	N(PC[6a]2S)2	P(C[6a]C[6a]2)2(SRe)(NP)	P(C[6a]C[6a]2)2(SRe)(NP)	129.9458	3.694	4	129.9458	13.649	4	129.8743	13.941	23	129.6711	17.132	67	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:2:	3:3:2:2:	P-4:P-4:	C[6a]-3:C[6a]-3:S-2:N-2:	C[6a]-3:C[6a]-3:S-2:N-2:	N(PC[6a]2S)2	P(C[6a]C[6a]2)2(SRu)(NP)	P(C[6a]C[6a]2)2(SRu)(NP)	N(PC[6a]2S)2	P(C[6a]C[6a]2)2(SRu)(NP)	P(C[6a]C[6a]2)2(SRu)(NP)	128.3403	1.813	6	128.3403	3.289	6	129.8743	13.941	23	129.6711	17.132	67	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:2:	3:3:2:2:	P-4:P-4:	C[6a]-3:C[6a]-3:Se-2:N-2:	C[6a]-3:C[6a]-3:Se-2:N-2:	N(PC[6a]2Se)2	P(C[6a]C[6a]2)2(SeAg)(NP)	P(C[6a]C[6a]2)2(SeAg)(NP)	N(PC[6a]2Se)2	P(C[6a]C[6a]2)2(SeAg)(NP)	P(C[6a]C[6a]2)2(SeAg)(NP)	127.2465	2.375	2	127.2465	5.641	2	132.3232	17.259	17	129.6711	17.132	67	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:2:	3:3:2:2:	P-4:P-4:	C[6a]-3:C[6a]-3:Se-2:N-2:	C[6a]-3:C[6a]-3:Se-2:N-2:	N(PC[6a]2Se)2	P(C[6a]C[6a]2)2(SeFe)(NP)	P(C[6a]C[6a]2)2(SeFe)(NP)	N(PC[6a]2Se)2	P(C[6a]C[6a]2)2(SeFe)(NP)	P(C[6a]C[6a]2)2(SeFe)(NP)	137.0590	2.459	2	137.0590	6.048	2	132.3232	17.259	17	129.6711	17.132	67	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:2:	3:3:2:2:	P-4:P-4:	C[6a]-3:C[6a]-3:Se-2:N-2:	C[6a]-3:C[6a]-3:Se-2:N-2:	N(PC[6a]2Se)2	P(C[6a]C[6a]2)2(SeMn)(NP)	P(C[6a]C[6a]2)2(SeMn)(NP)	N(PC[6a]2Se)2	P(C[6a]C[6a]2)2(SeMn)(NP)	P(C[6a]C[6a]2)2(SeMn)(NP)	134.2700	2.902	2	134.2700	8.421	2	132.3232	17.259	17	129.6711	17.132	67	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:2:	3:3:2:2:	P-4:P-4:	C[6a]-3:C[6a]-3:Se-2:N-2:	C[6a]-3:C[6a]-3:Se-2:N-2:	N(PC[6a]2Se)2	P(C[6a]C[6a]2)2(SeOs)(NP)	P(C[6a]C[6a]2)2(SeOs)(NP)	N(PC[6a]2Se)2	P(C[6a]C[6a]2)2(SeOs)(NP)	P(C[6a]C[6a]2)2(SeOs)(NP)	130.6460	0.000	1	130.6460	0.000	1	132.3232	17.259	17	129.6711	17.132	67	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:2:	3:3:2:2:	P-4:P-4:	C[6a]-3:C[6a]-3:Se-2:N-2:	C[6a]-3:C[6a]-3:Se-2:N-2:	N(PC[6a]2Se)2	P(C[6a]C[6a]2)2(SeRu)(NP)	P(C[6a]C[6a]2)2(SeRu)(NP)	N(PC[6a]2Se)2	P(C[6a]C[6a]2)2(SeRu)(NP)	P(C[6a]C[6a]2)2(SeRu)(NP)	131.3645	4.814	4	131.3645	23.176	4	132.3232	17.259	17	129.6711	17.132	67	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:2:	3:3:2:2:	P-4:P-4:	C[6a]-3:C[6a]-3:Se-2:N-2:	C[6a]-3:C[6a]-3:Se-2:N-2:	N(PC[6a]2Se)2	P(C[6a]C[6a]2)2(SeY)(NP)	P(C[6a]C[6a]2)2(SeY)(NP)	N(PC[6a]2Se)2	P(C[6a]C[6a]2)2(SeY)(NP)	P(C[6a]C[6a]2)2(SeY)(NP)	130.8070	3.023	4	130.8070	9.141	4	132.3232	17.259	17	129.6711	17.132	67	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:2:	3:3:2:2:	P-4:P-4:	C[6a]-3:C[6a]-3:Se-2:N-2:	C[6a]-3:C[6a]-3:Se-2:N-2:	N(PC[6a]2Se)2	P(C[6a]C[6a]2)2(SeYb)(NP)	P(C[6a]C[6a]2)2(SeYb)(NP)	N(PC[6a]2Se)2	P(C[6a]C[6a]2)2(SeYb)(NP)	P(C[6a]C[6a]2)2(SeYb)(NP)	136.5060	2.103	2	136.5060	4.422	2	132.3232	17.259	17	129.6711	17.132	67	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:2:	3:3:2:2:	P-4:P-4:	N[5]-3:N[5]-3:N-2:N-2:	N[5]-3:N[5]-3:N-2:N-2:	N(PN[5]2N)2	P(N[5]C[5]2)2(NP[5])(NP)	P(N[5]C[5]2)2(NP)2	N(PN[5]2N)2	P(N[5]C[5]2)2(NP[5])(NP)	P(N[5]C[5]2)2(NP)2	130.8220	0.455	2	130.8220	0.207	2	130.8220	0.207	2	129.6711	17.132	67	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:2:	3:3:2:2:	P-4:P-4:	N[6]-3:N-3:N-2:N-2:	N[6]-3:N[6]-3:N-2:N-2:	N(PN[6]2N)(PN[6]NN)	P(N[6]C[6]2)(NCH)(NP)2	P(N[6]C[6]2)2(NP)2	N(PN[6]2N)(PN[6]NN)	P(N[6]C[6]2)(NCH)(NP)2	P(N[6]C[6]2)2(NP)2	131.8822	3.380	4	131.8822	11.426	4	131.8822	11.426	4	129.6711	17.132	67	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:2:	3:3:3:2:	P-4:P-4:	N[5]-3:N[5]-3:N-2:N-2:	N[5]-3:N[5]-3:N[5]-3:N-2:	N(PN[5]2N)(PN[5]3)	P(N[5]C[5]2)2(NC[6a])(NP)	P(N[5]C[5]2)3(NP)	N(PN[5]2N)(PN[5]3)	P(N[5]C[5]2)2(NC[6a])(NP)	P(N[5]C[5]2)3(NP)	133.2860	0.000	1	133.2860	0.000	1	133.2860	0.000	1	133.2860	0.000	1	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:2:	4:4:2:2:	P-4:P-4:	C[6a]-3:C[6a]-3:S-2:N-2:	C-4:C-4:O-2:N-2:	N(PC[6a]2S)(PCCO)	P(C[6a]C[6a]2)2(SBi)(NP)	P(CH3)2(OBi)(NP)	N(PC[6a]2S)(PCCO)	P(C[6a]C[6a]2)2(SBi)(NP)	P(CH3)2(OBi)(NP)	129.1810	0.000	1	129.1810	0.000	1	129.1810	0.000	1	133.2011	63.419	9	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:2:	4:4:2:2:	P-4:P-4:	C[6a]-3:C[6a]-3:S-2:N-2:	C-4:C-4:S-2:N-2:	N(PC[6a]2S)(PCCS)	P(C[6a]C[6a]2)2(SCo)(NP)	P(CCCH)2(SCo)(NP)	N(PC[6a]2S)(PCCS)	P(C[6a]C[6a]2)2(SCo)(NP)	P(CCCH)2(SCo)(NP)	139.2080	0.000	1	139.2080	0.000	1	132.0635	84.676	6	133.2011	63.419	9	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:2:	4:4:2:2:	P-4:P-4:	C[6a]-3:C[6a]-3:S-2:N-2:	C-4:C-4:S-2:N-2:	N(PC[6a]2S)(PCCS)	P(C[6a]C[6a]2)2(SMn)(NP)	P(CCCH)2(SMn)(NP)	N(PC[6a]2S)(PCCS)	P(C[6a]C[6a]2)2(SMn)(NP)	P(CCCH)2(SMn)(NP)	141.0495	0.260	2	141.0495	0.067	2	132.0635	84.676	6	133.2011	63.419	9	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:2:	4:4:2:2:	P-4:P-4:	C[6a]-3:C[6a]-3:S-2:N-2:	C-4:C-4:S-2:N-2:	N(PC[6a]2S)(PCCS)	P(C[6a]C[6a]2)2(SNi)(NP)	P(CCCH)2(SNi)(NP)	N(PC[6a]2S)(PCCS)	P(C[6a]C[6a]2)2(SNi)(NP)	P(CCCH)2(SNi)(NP)	123.6913	0.496	3	123.6913	0.246	3	132.0635	84.676	6	133.2011	63.419	9	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:2:	4:4:2:2:	P-4:P-4:	C[6a]-3:C[6a]-3:Se-2:N-2:	C-4:C-4:S-2:N-2:	N(PC[6a]2Se)(PCCS)	P(C[6a]C[6a]2)2(SeTe)(NP)	P(CCCH)2(STe)(NP)	N(PC[6a]2Se)(PCCS)	P(C[6a]C[6a]2)2(SeTe)(NP)	P(CCCH)2(STe)(NP)	138.6240	1.109	2	138.6240	1.229	2	138.6240	1.229	2	133.2011	63.419	9	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:2:2:	4:4:4:2:	P-4:P-4:	C[6a]-3:C[6a]-3:C-2:N-2:	C-4:C-4:B-4:N-2:	N(PC[6a]2C)(PBCC)	P(C[6a]C[6a]2)2(CC)(NP)	P(CCCH)2(BH3)(NP)	N(PC[6a]2C)(PBCC)	P(C[6a]C[6a]2)2(CC)(NP)	P(CCCH)2(BH3)(NP)	129.0280	0.000	1	129.0280	0.000	1	129.0280	0.000	1	129.0280	0.000	1	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:3:2:	2:2:1:1:	P-4:P-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N-2:N-2:Cl-1:Cl-1:	N(PC[6a]3)(PCl2N)	P(C[6a]C[6a]2)3(NP)	P(NP)2(Cl)2	N(PC[6a]3)(PCl2N)	P(C[6a]C[6a]2)3(NP)	P(NP)2(Cl)2	134.9310	6.706	3	134.9310	44.972	3	134.9310	44.972	3	134.9310	44.972	3	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:3:2:	2:2:2:1:	P-4:P-4:	C[5a]-3:C[6a]-3:C[6a]-3:N-2:	O-2:O-2:N-2:O-1:	N(PC[5a]C[6a]2)(PO3)	P(C[5a]N[5a]S[5a])(C[6a]C[6a]2)2(NP)	P(OC[6a])2(NP)(O)	N(PC[5a]C[6a]2)(PO3)	P(C[5a]N[5a]S[5a])(C[6a]C[6a]2)2(NP)	P(OC[6a])2(NP)(O)	143.3320	0.000	1	143.3320	0.000	1	143.3320	0.000	1	143.3320	0.000	1	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:3:2:	2:2:2:2:	P-4:P-4:	N-3:N-3:N-3:N-2:	N-2:N-2:N-2:N-2:	N(PN3)2	P(NCC)3(NP)	P(NC)(NP)3	N(PN3)2	P(NCC)3(NP)	P(NC)(NP)3	141.6363	14.991	3	141.6363	224.728	3	141.6363	224.728	3	141.6363	224.728	3	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:3:2:	3:3:3:2:	P-4:P-4:	C[6a]-3:C[6a]-3:C[6]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(PC[6a]2C[6])(PC[6a]3)	P(C[6a]C[6a]2)2(C[6]C[6]2)(NP)	P(C[6a]C[6a]2)3(NP)	N(PC[6a]2C[6])(PC[6a]3)	P(C[6a]C[6a]2)2(C[6]C[6]2)(NP)	P(C[6a]C[6a]2)3(NP)	140.9267	4.167	4	140.9267	17.364	4	140.9267	17.364	4	141.3193	65.609	321	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:3:2:	3:3:3:2:	P-4:P-4:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:N-2:	N(PC[6a]3)2	P(C[6a]C[6a]2)3(NP)	P(C[6a]C[6a]2)3(NP)	N(PC[6a]3)2	P(C[6a]C[6a]2)3(NP)	P(C[6a]C[6a]2)3(NP)	141.3497	8.141	316	141.3497	66.276	316	141.3497	66.276	316	141.3193	65.609	321	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:3:2:	3:3:3:2:	P-4:P-4:	C[6a]-3:C[6a]-3:P-3:N-2:	C[6a]-3:C[6a]-3:P-3:N-2:	N(PC[6a]2P)2	P(C[6a]C[6a]2)2(PAgP)(NP)	P(C[6a]C[6a]2)2(PAgP)(NP)	N(PC[6a]2P)2	P(C[6a]C[6a]2)2(PAgP)(NP)	P(C[6a]C[6a]2)2(PAgP)(NP)	133.2680	0.000	1	133.2680	0.000	1	133.2680	0.000	1	141.3193	65.609	321	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:4:2:	2:2:2:1:	P-4:P-4:	C[6a]-3:C[6a]-3:C-4:N-2:	N-2:O-2:O-2:O-1:	N(PC[6a]2C)(PO3)	P(C[6a]C[6a]2)2(CHHP)(NP)	P(NP)(OC)2(O)	N(PC[6a]2C)(PO3)	P(C[6a]C[6a]2)2(CHHP)(NP)	P(NP)(OC)2(O)	130.5850	0.000	1	130.5850	0.000	1	130.5850	0.000	1	132.5538	6.526	6	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:4:2:	2:2:2:1:	P-4:P-4:	C[6a]-3:C[6a]-3:C-4:N-2:	O-2:O-2:N-2:O-1:	N(PC[6a]2C)(PO3)	P(C[6a]C[6a]2)2(CHHP)(NP)	P(OC[6a])2(NP)(O)	N(PC[6a]2C)(PO3)	P(C[6a]C[6a]2)2(CHHP)(NP)	P(OC[6a])2(NP)(O)	131.9083	2.863	3	131.9083	8.195	3	131.9083	8.195	3	132.5538	6.526	6	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:4:2:	2:2:2:1:	P-4:P-4:	C[6a]-3:C[6a]-3:C-4:N-2:	O-2:O-2:N-2:S-1:	N(PC[6a]2C)(POOS)	P(C[6a]C[6a]2)2(CHHP)(NP)	P(OC[6a])2(NP)(S)	N(PC[6a]2C)(POOS)	P(C[6a]C[6a]2)2(CHHP)(NP)	P(OC[6a])2(NP)(S)	134.5065	1.867	2	134.5065	3.487	2	134.5065	3.487	2	132.5538	6.526	6	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:4:2:	2:2:2:2:	P-4:P-4:	C[6a]-3:C[6a]-3:C-4:N-2:	O-2:N-2:O-2:O-2:	N(PC[6a]2C)(PO3)	P(C[6a]C[6a]2)2(CHHP)(NP)	P(ORu)(NP)(OC)2	N(PC[6a]2C)(PO3)	P(C[6a]C[6a]2)2(CHHP)(NP)	P(ORu)(NP)(OC)2	132.5210	0.000	1	132.5210	0.000	1	132.5210	0.000	1	129.1467	10.208	3	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:3:4:2:	2:2:2:2:	P-4:P-4:	C[6a]-3:C[6a]-3:C-4:N-2:	S-2:N-2:O-2:O-2:	N(PC[6a]2C)(POOS)	P(C[6a]C[6a]2)2(CRuHP)(NP)	P(SRu)(NP)(OC)2	N(PC[6a]2C)(POOS)	P(C[6a]C[6a]2)2(CRuHP)(NP)	P(SRu)(NP)(OC)2	127.4595	1.826	2	127.4595	3.336	2	127.4595	3.336	2	129.1467	10.208	3	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:4:2:2:	3:4:2:2:	P-4:P-4:	C[6a]-3:C-4:N-2:N-2:	C[6a]-3:C-4:N-2:N-2:	N(PC[6a]CN)2	P(C[6a]C[6a]2)(CH3)(NP)2	P(C[6a]C[6a]2)(CH3)(NP)2	N(PC[6a]CN)2	P(C[6a]C[6a]2)(CH3)(NP)2	P(C[6a]C[6a]2)(CH3)(NP)2	131.6912	2.722	12	131.6912	7.410	12	131.6912	7.410	12	131.6912	7.410	12	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:4:4:2:	4:4:2:2:	P-4:P-4:	Se-3:C-4:C-4:N-2:	C-4:C-4:Se-2:N-2:	N(PSeCC)2	P(SeCd2)(CCCH)2(NP)	P(CCCH)2(SeCd)(NP)	N(PSeCC)2	P(SeCd2)(CCCH)2(NP)	P(CCCH)2(SeCd)(NP)	147.7130	0.000	1	147.7130	0.000	1	141.8620	15.758	4	141.8620	15.758	4	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	3:4:4:2:	4:4:2:2:	P-4:P-4:	Se-3:C-4:C-4:N-2:	C-4:C-4:Se-2:N-2:	N(PSeCC)2	P(SeCu2)(CCCH)2(NP)	P(CCCH)2(SeCu)(NP)	N(PSeCC)2	P(SeCu2)(CCCH)2(NP)	P(CCCH)2(SeCu)(NP)	139.9117	0.903	3	139.9117	0.815	3	141.8620	15.758	4	141.8620	15.758	4	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	4:4:2:1:	4:4:2:1:	P-4:P-4:	C-4:C-4:N-2:Cl-1:	C-4:C-4:N-2:Se-1:	N(PClCC)(PSeCC)	P(CCCH)2(NP)(Cl)	P(CCCH)2(NP)(Se)	N(PClCC)(PSeCC)	P(CCCH)2(NP)(Cl)	P(CCCH)2(NP)(Se)	147.0110	0.000	1	147.0110	0.000	1	147.0110	0.000	1	142.8444	57.788	8	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	4:4:2:1:	4:4:2:1:	P-4:P-4:	C-4:C-4:N-2:S-1:	C-4:C-4:N-2:S-1:	N(PCCS)2	P(CCCH)2(NP)(S)	P(CCCH)2(NP)(S)	N(PCCS)2	P(CCCH)2(NP)(S)	P(CCCH)2(NP)(S)	140.7170	0.000	1	140.7170	0.000	1	140.7170	0.000	1	142.8444	57.788	8	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	4:4:2:1:	4:4:2:1:	P-4:P-4:	C-4:C-4:N-2:Se-1:	C-4:C-4:N-2:H-1:	N(PSeCC)(PCCH)	P(CCCH)2(NP)(Se)	P(CCCH)2(NP)(H)	N(PSeCC)(PCCH)	P(CCCH)2(NP)(Se)	P(CCCH)2(NP)(H)	127.5360	0.000	1	127.5360	0.000	1	127.5360	0.000	1	142.8444	57.788	8	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	4:4:2:1:	4:4:2:1:	P-4:P-4:	C-4:C-4:N-2:Se-1:	C-4:C-4:N-2:I-1:	N(PSeCC)(PCCI)	P(CC3)2(NP)(Se)	P(CC3)2(NP)(I)	N(PSeCC)(PCCI)	P(CC3)2(NP)(Se)	P(CC3)2(NP)(I)	154.8640	0.000	1	154.8640	0.000	1	149.3985	59.743	2	142.8444	57.788	8	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	4:4:2:1:	4:4:2:1:	P-4:P-4:	C-4:C-4:N-2:Se-1:	C-4:C-4:N-2:I-1:	N(PSeCC)(PCCI)	P(CCCH)2(NP)(Se)	P(CCCH)2(NP)(I)	N(PSeCC)(PCCI)	P(CCCH)2(NP)(Se)	P(CCCH)2(NP)(I)	143.9330	0.000	1	143.9330	0.000	1	149.3985	59.743	2	142.8444	57.788	8	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	4:4:2:1:	4:4:2:1:	P-4:P-4:	C-4:C-4:N-2:Se-1:	C-4:C-4:N-2:Se-1:	N(PSeCC)2	P(CCCH)2(NP)(Se)	P(CCCH)2(NP)(Se)	N(PSeCC)2	P(CCCH)2(NP)(Se)	P(CCCH)2(NP)(Se)	142.8980	1.144	3	142.8980	1.308	3	142.8980	1.308	3	142.8444	57.788	8	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	4:4:2:2:	4:4:2:2:	P-4:P-4:	C-4:C-4:N-2:N-2:	C-4:C-4:N-2:N-2:	N(PCCN)2	P(CH3)2(NP)2	P(CH3)2(NP)2	N(PCCN)2	P(CH3)2(NP)2	P(CH3)2(NP)2	132.1650	0.000	1	132.1650	0.000	1	132.1650	0.000	1	136.2520	21.405	45	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	4:4:2:2:	4:4:2:2:	P-4:P-4:	C-4:C-4:N-2:S-2:	C-4:C-4:N-2:S-2:	N(PCCS)2	P(CCCH)2(NP)(SU)	P(CCCH)2(NP)(SU)	N(PCCS)2	P(CCCH)2(NP)(SU)	P(CCCH)2(NP)(SU)	137.9123	0.863	3	137.9123	0.744	3	137.9123	0.744	3	136.2520	21.405	45	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	4:4:2:2:	4:4:2:2:	P-4:P-4:	C-4:C-4:S-2:N-2:	C-4:C-4:S-2:N-2:	N(PCCS)2	P(CC3)2(SRu)(NP)	P(CC3)2(SRu)(NP)	N(PCCS)2	P(CC3)2(SRu)(NP)	P(CC3)2(SRu)(NP)	135.3465	0.090	2	135.3465	0.008	2	135.2202	17.872	26	136.2520	21.405	45	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	4:4:2:2:	4:4:2:2:	P-4:P-4:	C-4:C-4:S-2:N-2:	C-4:C-4:S-2:N-2:	N(PCCS)2	P(CCCH)2(SCe)(NP)	P(CCCH)2(SCe)(NP)	N(PCCS)2	P(CCCH)2(SCe)(NP)	P(CCCH)2(SCe)(NP)	138.1707	0.892	3	138.1707	0.796	3	135.2202	17.872	26	136.2520	21.405	45	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	4:4:2:2:	4:4:2:2:	P-4:P-4:	C-4:C-4:S-2:N-2:	C-4:C-4:S-2:N-2:	N(PCCS)2	P(CCCH)2(SLa)(NP)	P(CCCH)2(SLa)(NP)	N(PCCS)2	P(CCCH)2(SLa)(NP)	P(CCCH)2(SLa)(NP)	138.7387	1.153	3	138.7387	1.330	3	135.2202	17.872	26	136.2520	21.405	45	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	4:4:2:2:	4:4:2:2:	P-4:P-4:	C-4:C-4:S-2:N-2:	C-4:C-4:S-2:N-2:	N(PCCS)2	P(CCCH)2(SMn)(NP)	P(CCCH)2(SMn)(NP)	N(PCCS)2	P(CCCH)2(SMn)(NP)	P(CCCH)2(SMn)(NP)	139.0355	1.182	2	139.0355	1.396	2	135.2202	17.872	26	136.2520	21.405	45	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	4:4:2:2:	4:4:2:2:	P-4:P-4:	C-4:C-4:S-2:N-2:	C-4:C-4:S-2:N-2:	N(PCCS)2	P(CCCH)2(SOs)(NP)	P(CCCH)2(SOs)(NP)	N(PCCS)2	P(CCCH)2(SOs)(NP)	P(CCCH)2(SOs)(NP)	133.7422	4.361	6	133.7422	19.021	6	135.2202	17.872	26	136.2520	21.405	45	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	4:4:2:2:	4:4:2:2:	P-4:P-4:	C-4:C-4:S-2:N-2:	C-4:C-4:S-2:N-2:	N(PCCS)2	P(CCCH)2(SPu)(NP)	P(CCCH)2(SPu)(NP)	N(PCCS)2	P(CCCH)2(SPu)(NP)	P(CCCH)2(SPu)(NP)	137.0407	1.168	3	137.0407	1.364	3	135.2202	17.872	26	136.2520	21.405	45	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	4:4:2:2:	4:4:2:2:	P-4:P-4:	C-4:C-4:S-2:N-2:	C-4:C-4:S-2:N-2:	N(PCCS)2	P(CCCH)2(SRu)(NP)	P(CCCH)2(SRu)(NP)	N(PCCS)2	P(CCCH)2(SRu)(NP)	P(CCCH)2(SRu)(NP)	131.8081	4.939	7	131.8081	24.395	7	135.2202	17.872	26	136.2520	21.405	45	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	4:4:2:2:	4:4:2:2:	P-4:P-4:	C-4:C-4:Se-2:N-2:	C-4:C-4:Se-2:N-2:	N(PSeCC)2	P(CCCH)2(SeBi)(NP)	P(CCCH)2(SeBi)(NP)	N(PSeCC)2	P(CCCH)2(SeBi)(NP)	P(CCCH)2(SeBi)(NP)	138.8270	8.987	2	138.8270	80.772	2	137.9809	28.290	15	136.2520	21.405	45	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	4:4:2:2:	4:4:2:2:	P-4:P-4:	C-4:C-4:Se-2:N-2:	C-4:C-4:Se-2:N-2:	N(PSeCC)2	P(CCCH)2(SeCo)(NP)	P(CCCH)2(SeCo)(NP)	N(PSeCC)2	P(CCCH)2(SeCo)(NP)	P(CCCH)2(SeCo)(NP)	137.6132	0.733	4	137.6132	0.537	4	137.9809	28.290	15	136.2520	21.405	45	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	4:4:2:2:	4:4:2:2:	P-4:P-4:	C-4:C-4:Se-2:N-2:	C-4:C-4:Se-2:N-2:	N(PSeCC)2	P(CCCH)2(SeHg)(NP)	P(CCCH)2(SeHg)(NP)	N(PSeCC)2	P(CCCH)2(SeHg)(NP)	P(CCCH)2(SeHg)(NP)	143.6740	1.575	2	143.6740	2.482	2	137.9809	28.290	15	136.2520	21.405	45	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	4:4:2:2:	4:4:2:2:	P-4:P-4:	C-4:C-4:Se-2:N-2:	C-4:C-4:Se-2:N-2:	N(PSeCC)2	P(CCCH)2(SeIr)(NP)	P(CCCH)2(SeIr)(NP)	N(PSeCC)2	P(CCCH)2(SeIr)(NP)	P(CCCH)2(SeIr)(NP)	127.3160	0.000	1	127.3160	0.000	1	137.9809	28.290	15	136.2520	21.405	45	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	4:4:2:2:	4:4:2:2:	P-4:P-4:	C-4:C-4:Se-2:N-2:	C-4:C-4:Se-2:N-2:	N(PSeCC)2	P(CCCH)2(SeLi)(NP)	P(CCCH)2(SeLi)(NP)	N(PSeCC)2	P(CCCH)2(SeLi)(NP)	P(CCCH)2(SeLi)(NP)	142.8030	0.000	1	142.8030	0.000	1	137.9809	28.290	15	136.2520	21.405	45	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	4:4:2:2:	4:4:2:2:	P-4:P-4:	C-4:C-4:Se-2:N-2:	C-4:C-4:Se-2:N-2:	N(PSeCC)2	P(CCCH)2(SeNi)(NP)	P(CCCH)2(SeNi)(NP)	N(PSeCC)2	P(CCCH)2(SeNi)(NP)	P(CCCH)2(SeNi)(NP)	136.1260	0.984	2	136.1260	0.969	2	137.9809	28.290	15	136.2520	21.405	45	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	4:4:2:2:	4:4:2:2:	P-4:P-4:	C-4:C-4:Se-2:N-2:	C-4:C-4:Se-2:N-2:	N(PSeCC)2	P(CCCH)2(SeSb)(NP)	P(CCCH)2(SeSb)(NP)	N(PSeCC)2	P(CCCH)2(SeSb)(NP)	P(CCCH)2(SeSb)(NP)	134.9605	8.089	2	134.9605	65.425	2	137.9809	28.290	15	136.2520	21.405	45	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	4:4:2:2:	4:4:2:2:	P-4:P-4:	C-4:C-4:Se-2:N-2:	C-4:C-4:Se-2:N-2:	N(PSeCC)2	P(CCCH)2(SeSn)(NP)	P(CCCH)2(SeSn)(NP)	N(PSeCC)2	P(CCCH)2(SeSn)(NP)	P(CCCH)2(SeSn)(NP)	141.9660	0.000	1	141.9660	0.000	1	137.9809	28.290	15	136.2520	21.405	45	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	4:4:2:2:	4:4:4:2:	P-4:P-4:	C-4:C-4:O-2:N-2:	C-4:C-4:C-4:N-2:	N(PCCO)(PC3)	P(CH3)2(OSi)(NP)	P(CCHH)3(NP)	N(PCCO)(PC3)	P(CH3)2(OSi)(NP)	P(CCHH)3(NP)	140.8580	0.000	1	140.8580	0.000	1	142.5430	15.820	4	142.5430	15.820	4	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	4:4:2:2:	4:4:4:2:	P-4:P-4:	C-4:C-4:O-2:N-2:	C-4:C-4:C-4:N-2:	N(PCCO)(PC3)	P(CH3)2(OSi)(NP)	P(CH3)3(NP)	N(PCCO)(PC3)	P(CH3)2(OSi)(NP)	P(CH3)3(NP)	143.1047	4.673	3	143.1047	21.837	3	142.5430	15.820	4	142.5430	15.820	4	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	4:4:3:2:	4:4:2:2:	P-4:P-4:	C-4:C-4:S-3:N-2:	C-4:C-4:S-2:N-2:	N(PCCS)2	P(CCCH)2(SAg2)(NP)	P(CCCH)2(SAg)(NP)	N(PCCS)2	P(CCCH)2(SAg2)(NP)	P(CCCH)2(SAg)(NP)	143.6565	1.350	6	143.6565	1.821	6	143.6565	1.821	6	143.6565	1.821	6	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	4:4:3:2:	4:4:3:2:	P-4:P-4:	C-4:C-4:S-3:N-2:	C-4:C-4:S-3:N-2:	N(PCCS)2	P(CCCH)2(SRu2)(NP)	P(CCCH)2(SRu2)(NP)	N(PCCS)2	P(CCCH)2(SRu2)(NP)	P(CCCH)2(SRu2)(NP)	133.0120	0.000	1	133.0120	0.000	1	133.0120	0.000	1	133.0120	0.000	1	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	4:4:4:2:	4:4:2:2:	P-4:P-4:	C-4:C-4:B-4:N-2:	C-4:C-4:C-2:N-2:	N(PBCC)(PC3)	P(CCCH)2(BH3)(NP)	P(CC3)2(CC)(NP)	N(PBCC)(PC3)	P(CCCH)2(BH3)(NP)	P(CC3)2(CC)(NP)	144.7350	2.240	3	144.7350	5.019	3	144.7350	5.019	3	144.7350	5.019	3	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	4:4:4:2:	4:4:4:2:	P-4:P-4:	C[6]-4:C[6]-4:C[6]-4:N-2:	C[6]-4:C[6]-4:C[6]-4:N-2:	N(PC[6]3)2	P(C[6]C[6]2H)3(NP)	P(C[6]C[6]2H)3(NP)	N(PC[6]3)2	P(C[6]C[6]2H)3(NP)	P(C[6]C[6]2H)3(NP)	141.4920	0.000	1	141.4920	0.000	1	141.4920	0.000	1	141.4780	0.000	2	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	4:4:4:2:	4:4:4:2:	P-4:P-4:	In[5]-4:C-4:C-4:N-2:	In[5]-4:C-4:C-4:N-2:	N(PIn[5]CC)2	P(In[5]P[5]S[5]Cl)(CCCH)2(NP)	P(In[5]P[5]S[5]Cl)(CCCH)2(NP)	N(PIn[5]CC)2	P(In[5]P[5]S[5]Cl)(CCCH)2(NP)	P(In[5]P[5]S[5]Cl)(CCCH)2(NP)	141.4640	0.000	1	141.4640	0.000	1	141.4640	0.000	1	141.4780	0.000	2	138.3038	69.796	576	138.3038	69.796	576
941	992	992	0:SP2_SP3_SP3	N	P	P	4:4:	5:4:2:2:	4:4:2:2:	P-4:P-4:	C-5:C-4:S-2:N-2:	C-4:C-4:S-2:N-2:	N(PCCS)2	P(CCCHH)(CCCH)(SRu)(NP)	P(CCCH)2(SRu)(NP)	N(PCCS)2	P(CCCHH)(CCCH)(SRu)(NP)	P(CCCH)2(SRu)(NP)	127.7700	0.000	1	127.7700	0.000	1	127.7700	0.000	1	127.7700	0.000	1	138.3038	69.796	576	138.3038	69.796	576
942	70	904	0:SP-NON_SP-NON_SP-NON	Ga[6]	P	P[6]	2:2:1:	3:	3:3:	P[6]-2:P[6]-2:P-1:	Ga[6]-3:	Ga[6]-3:Ga[6]-3:	Ga[6](P[6]Ga[6])2(P)	P(Ga[6]P[6]2)	P[6](Ga[6]P[6]P)2	Ga[6](P[6]Ga[6])2(P){1|P<2>,2|P<1>}	P(Ga[6]P[6]2)	P[6](Ga[6]P[6]P)2{1|Ga<3>}	118.1463	3.956	6	118.1463	15.654	6	118.1463	15.654	6	118.1463	15.654	6	118.1463	15.654	6	118.1463	15.654	6
942	410	966	0:SP-NON_SP1_SP2	Ga[6]	As	As[6]	2:2:1:	3:	3:3:	As[6]-2:As[6]-2:As-1:	Ga[6]-3:	Ga[6]-3:Ga[6]-3:	Ga[6](As[6]Ga[6])2(As)	As(Ga[6]As[6]2)	As[6](Ga[6]As[6]As)2	Ga[6](As[6]Ga[6])2(As){1|As<2>,2|As<1>}	As(Ga[6]As[6]2)	As[6](Ga[6]As[6]As)2{1|Ga<3>}	117.5997	4.014	6	117.5997	16.110	6	117.5997	16.110	6	117.5997	16.110	6	117.5997	16.110	6	117.5997	16.110	6
942	466	466	6:SP-NON_SP3_SP3	Ga[6,6]	C[3x6]	C[3x6]	4:4:4:	3:3:3:4:	3:3:3:4:	C[3x6]-4:C[3x6]-4:C-4:	Ga[6,6]-3:Ga[6,6]-3:Ga[6,6]-3:C-4:	Ga[6,6]-3:Ga[6,6]-3:Ga[6,6]-3:C-4:	Ga[6,6](C[3x6]Ga[6,6]2C)2(CCHH)	C[3x6](Ga[6,6]C[3x6]C)3(CCHH)	C[3x6](Ga[6,6]C[3x6]C)3(CCHH)	Ga[6,6](C[3x6]Ga[6,6]2C)2(CCHH){6|C<4>}	C[3x6](Ga[6,6]C[3x6]C)3(CCHH){3|Ga<3>,3|C<4>}	C[3x6](Ga[6,6]C[3x6]C)3(CCHH){3|Ga<3>,3|C<4>}	119.6452	0.824	6	119.6452	0.679	6	119.6452	0.679	6	119.6452	0.679	6	119.6452	0.679	6	117.2610	16.264	9
942	466	466	6:SP-NON_SP3_SP3	Ga[6]	C[6]	C[6]	3:4:4:	3:4:1:1:	3:4:1:1:	C[6a]-3:C[6]-4:C[6]-4:	Ga[6]-3:C[6]-4:H-1:H-1:	Ga[6]-3:C[6]-4:H-1:H-1:	Ga[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(H)2	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(H)2	Ga[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Ga<3>,4|C<3>,4|H<1>}	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	114.5085	0.118	2	114.5085	0.014	2	114.5085	0.014	2	114.5085	0.014	2	112.4927	12.198	3	117.2610	16.264	9
942	466	466	6:SP-NON_SP3_SP3	Ga[6]	C[6]	C[6]	4:3:4:	3:4:3:1:	4:3:1:1:	C[6]-4:C[6a]-3:C[6]-4:	Ga[6]-3:C[6]-4:C[6a]-3:H-1:	C[6]-4:Ga[6]-3:H-1:H-1:	Ga[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(C[6a]C[6a]2)(H)	C[6](C[6]C[6a]Ga[6]H)(Ga[6]C[6a]C[6])(H)2	Ga[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|Ga<3>,3|H<1>,7|C<3>}	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[6a]Ga[6]H)(Ga[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,6|C<3>}	108.4610	0.000	1	108.4610	0.000	1	108.4610	0.000	1	108.4610	0.000	1	112.4927	12.198	3	117.2610	16.264	9
942	466	490	0:SP-NON_SP3_SP3	Ga[6,6]	C[3x6]	C	4:4:4:	3:3:3:4:	3:4:1:1:	C[3x6]-4:C[3x6]-4:C-4:	Ga[6,6]-3:Ga[6,6]-3:Ga[6,6]-3:C-4:	Ga[6,6]-3:C-4:H-1:H-1:	Ga[6,6](C[3x6]Ga[6,6]2C)2(CCHH)	C[3x6](Ga[6,6]C[3x6]C)3(CCHH)	C(Ga[6,6]C[3x6]2)(CH3)(H)2	Ga[6,6](C[3x6]Ga[6,6]2C)2(CCHH){6|C<4>}	C[3x6](Ga[6,6]C[3x6]C)3(CCHH){3|Ga<3>,3|C<4>}	C(Ga[6,6]C[3x6]2)(CH3)(H)2	120.0564	2.007	12	120.0564	4.028	12	120.0564	4.028	12	120.0564	4.028	12	120.0564	4.028	12	120.0564	4.028	12
942	466	643	0:SP-NON_SP2_SP3	Ga[6]	C[6]	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	Ga[6]-3:C[6]-4:H-1:H-1:	C[6a]-3:C[6a]-3:Ga[6]-3:	Ga[6](C[6a]C[6a]2)(C[6]C[6]HH)2	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(H)2	C[6a](C[6a]C[6a]2)2(Ga[6]C[6]2)	Ga[6](C[6a]C[6a]2)(C[6]C[6]HH)2{1|Ga<3>,4|C<3>,4|H<1>}	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(H)2{1|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)2(Ga[6]C[6]2){2|C<4>,5|C<3>,6|H<1>}	122.6750	1.256	4	122.6750	1.577	4	122.6750	1.577	4	122.6750	1.577	4	123.7062	57.438	6	123.7062	57.438	6
942	466	643	0:SP-NON_SP2_SP3	Ga[6]	C[6]	C[6a]	4:3:4:	3:4:3:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	Ga[6]-3:C[6]-4:C[6a]-3:H-1:	C[6a]-3:C[6a]-3:Ga[6]-3:	Ga[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(C[6a]C[6a]2)(H)	C[6a](C[6a]C[6a]2)2(Ga[6]C[6]2)	Ga[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|Ga<3>,3|H<1>,7|C<3>}	C[6](Ga[6]C[6a]C[6])(C[6]Ga[6]HH)(C[6a]C[6a]2)(H){1|C<4>,4|H<1>,5|C<3>}	C[6a](C[6a]C[6a]2)2(Ga[6]C[6]2){2|C<4>,5|H<1>,6|C<3>}	137.3810	0.000	1	137.3810	0.000	1	137.3810	0.000	1	137.3810	0.000	1	123.7062	57.438	6	123.7062	57.438	6
942	466	643	0:SP-NON_SP2_SP3	Ga[6]	C[6]	C[6a]	4:3:4:	4:3:1:1:	3:3:3:	C[6]-4:C[6a]-3:C[6]-4:	C[6]-4:Ga[6]-3:H-1:H-1:	C[6a]-3:C[6a]-3:Ga[6]-3:	Ga[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6a]Ga[6]H)(Ga[6]C[6a]C[6])(H)2	C[6a](C[6a]C[6a]2)2(Ga[6]C[6]2)	Ga[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|Ga<3>,3|H<1>,7|C<3>}	C[6](C[6]C[6a]Ga[6]H)(Ga[6]C[6a]C[6])(H)2{1|C<4>,1|H<1>,6|C<3>}	C[6a](C[6a]C[6a]2)2(Ga[6]C[6]2){2|C<4>,5|H<1>,6|C<3>}	114.1560	0.000	1	114.1560	0.000	1	114.1560	0.000	1	114.1560	0.000	1	123.7062	57.438	6	123.7062	57.438	6
942	610	856	0:SP-NON_SP2_SP3	Ga[6]	B	N[6]	3:3:4:	3:3:3:3:	3:3:3:	N[6]-3:N[6]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:Ga[6]-3:	C[6a]-3:Ga[6]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(BC[6a]3)	B(C[6a]C[6a]2)3(Ga[6]N[6]2)	N[6](C[6a]C[6a]2)(Ga[6]N[6]B)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(BC[6a]3){2|C<4>,5|C<3>}	B(C[6a]C[6a]2)3(Ga[6]N[6]2)	N[6](C[6a]C[6a]2)(Ga[6]N[6]B)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	132.0435	4.174	4	132.0435	17.426	4	132.0435	17.426	4	132.0435	17.426	4	132.0435	17.426	4	132.0435	17.426	4
942	643	762	0:SP-NON_SP2_SP2	Ga[6]	C[6a]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:Ga[6]-3:	Ga[6]-3:C[6]-3:Si-4:	Ga[6](C[6a]C[6a]2)(C[6]C[6]Si)2	C[6a](C[6a]C[6a]C)2(Ga[6]C[6]2)	C[6](Ga[6]C[6a]C[6])(C[6]C[6]H)(SiC3)	Ga[6](C[6a]C[6a]2)(C[6]C[6]Si)2{2|C<4>,2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(Ga[6]C[6]2){2|Si<4>,2|H<1>,3|C<3>}	C[6](Ga[6]C[6a]C[6])(C[6]C[6]H)(SiC3){1|Si<4>,1|H<1>,3|C<3>}	125.6010	3.200	2	125.6010	10.242	2	125.6010	10.242	2	125.6010	10.242	2	125.6010	10.242	2	125.6010	10.242	2
942	762	762	6:SP-NON_SP2_SP2	Ga[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	Ga[6]-3:C[6]-3:Si-4:	Ga[6]-3:C[6]-3:Si-4:	Ga[6](C[6a]C[6a]2)(C[6]C[6]Si)2	C[6](Ga[6]C[6a]C[6])(C[6]C[6]H)(SiC3)	C[6](Ga[6]C[6a]C[6])(C[6]C[6]H)(SiC3)	Ga[6](C[6a]C[6a]2)(C[6]C[6]Si)2{2|C<4>,2|H<1>,3|C<3>}	C[6](Ga[6]C[6a]C[6])(C[6]C[6]H)(SiC3){1|Si<4>,1|H<1>,3|C<3>}	C[6](Ga[6]C[6a]C[6])(C[6]C[6]H)(SiC3){1|Si<4>,1|H<1>,3|C<3>}	108.7170	0.000	1	108.7170	0.000	1	108.7170	0.000	1	108.7170	0.000	1	108.7170	0.000	1	108.7170	0.000	1
942	856	856	6:SP-NON_SP2_SP2	Ga[6]	N[6]	N[6]	3:3:4:	3:3:3:	3:3:3:	N[6]-3:N[6]-3:B-4:	C[6a]-3:Ga[6]-3:C[6]-3:	C[6a]-3:Ga[6]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(BC[6a]3)	N[6](C[6a]C[6a]2)(Ga[6]N[6]B)(C[6]C[6]C)	N[6](C[6a]C[6a]2)(Ga[6]N[6]B)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(BC[6a]3){2|C<4>,5|C<3>}	N[6](C[6a]C[6a]2)(Ga[6]N[6]B)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	N[6](C[6a]C[6a]2)(Ga[6]N[6]B)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	95.8817	0.250	2	95.8817	0.063	2	95.8817	0.063	2	95.7959	0.068	4	95.7959	0.068	4	95.7959	0.068	4
942	856	856	6:SP-NON_SP2_SP2	Ga[6]	N[6]	N[6]	3:3:4:	3:3:3:	3:3:3:	N[6]-3:N[6]-3:Ga-4:	C[6a]-3:Ga[6]-3:C[6]-3:	C[6a]-3:Ga[6]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(GaC[6a]3)	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ga)(C[6]C[6]C)	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ga)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(GaC[6a]3){2|C<4>,5|C<3>}	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ga)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ga)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	95.9480	0.000	1	95.9480	0.000	1	95.7101	0.113	2	95.7959	0.068	4	95.7959	0.068	4	95.7959	0.068	4
942	856	856	6:SP-NON_SP2_SP2	Ga[6]	N[6]	N[6]	3:3:4:	3:3:3:	3:3:3:	N[6]-3:N[6]-3:Ga-4:	C[6a]-3:Ga[6]-3:C[6]-3:	C[6a]-3:Ga[6]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(GaGa[6]GaI)	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ga)(C[6]C[6]C)	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ga)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(GaGa[6]GaI){2|C<4>,5|C<3>}	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ga)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ga)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	95.4722	0.000	1	95.4722	0.000	1	95.7101	0.113	2	95.7959	0.068	4	95.7959	0.068	4	95.7959	0.068	4
942	856	984	0:SP-NON_SP-NON_SP2	Ga[6]	N[6]	Ga	3:3:4:	3:3:3:	3:3:3:3:	N[6]-3:N[6]-3:Ga-4:	C[6a]-3:Ga[6]-3:C[6]-3:	C[6a]-3:C[6a]-3:C[6a]-3:Ga[6]-3:	Ga[6](N[6]C[6a]C[6])2(GaC[6a]3)	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ga)(C[6]C[6]C)	Ga(C[6a]C[6a]2)3(Ga[6]N[6]2)	Ga[6](N[6]C[6a]C[6])2(GaC[6a]3){2|C<4>,5|C<3>}	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ga)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ga(C[6a]C[6a]2)3(Ga[6]N[6]2)	131.9920	6.221	2	131.9920	38.702	2	131.9920	38.702	2	131.9920	38.702	2	131.5362	26.813	4	131.5362	26.813	4
942	856	984	0:SP-NON_SP-NON_SP2	Ga[6]	N[6]	Ga	3:3:4:	3:3:3:	4:3:3:1:	N[6]-3:N[6]-3:Ga-4:	C[6a]-3:Ga[6]-3:C[6]-3:	Ga[6]-4:Ga[6]-3:Ga-3:I-1:	Ga[6](N[6]C[6a]C[6])2(GaGa[6]GaI)	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ga)(C[6]C[6]C)	Ga(Ga[6]N[6]2I)(Ga[6]N[6]2)(GaGa[6]I)(I)	Ga[6](N[6]C[6a]C[6])2(GaGa[6]GaI){2|C<4>,5|C<3>}	N[6](C[6a]C[6a]2)(Ga[6]N[6]Ga)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ga(Ga[6]N[6]2I)(Ga[6]N[6]2)(GaGa[6]I)(I)	131.0805	6.396	2	131.0805	40.906	2	131.0805	40.906	2	131.0805	40.906	2	131.5362	26.813	4	131.5362	26.813	4
942	904	904	6:SP-NON_SP-NON_SP-NON	Ga[6]	P[6]	P[6]	2:2:1:	3:3:	3:3:	P[6]-2:P[6]-2:P-1:	Ga[6]-3:Ga[6]-3:	Ga[6]-3:Ga[6]-3:	Ga[6](P[6]Ga[6])2(P)	P[6](Ga[6]P[6]P)2	P[6](Ga[6]P[6]P)2	Ga[6](P[6]Ga[6])2(P){1|P<2>,2|P<1>}	P[6](Ga[6]P[6]P)2{1|Ga<3>}	P[6](Ga[6]P[6]P)2{1|Ga<3>}	123.7083	3.185	3	123.7083	10.145	3	123.7083	10.145	3	123.7083	10.145	3	123.7083	10.145	3	123.7083	10.145	3
942	966	966	6:SP-NON_SP2_SP2	Ga[6]	As[6]	As[6]	2:2:1:	3:3:	3:3:	As[6]-2:As[6]-2:As-1:	Ga[6]-3:Ga[6]-3:	Ga[6]-3:Ga[6]-3:	Ga[6](As[6]Ga[6])2(As)	As[6](Ga[6]As[6]As)2	As[6](Ga[6]As[6]As)2	Ga[6](As[6]Ga[6])2(As){1|As<2>,2|As<1>}	As[6](Ga[6]As[6]As)2{1|Ga<3>}	As[6](Ga[6]As[6]As)2{1|Ga<3>}	124.8003	3.186	3	124.8003	10.154	3	124.8003	10.154	3	124.8003	10.154	3	124.8003	10.154	3	124.8003	10.154	3
943	6	474	0:SP-NON_SP2_SP3	Ga[6]	As[4]	C[5]	3:3:3:4:	4:2:2:	4:3:3:4:	N[6]-3:N[6]-3:As[4]-3:C[5]-4:	Ga[6]-4:As[4]-2:As[4]-2:	Ga[6]-4:C[5]-3:C[5]-3:C-4:	Ga[6](N[6]C[6a]C[6])2(As[4]As[4]2)(C[5]C[5]2C)	As[4](Ga[6]C[5]N[6]2)(As[4]Ga[4,6])2	C[5](Ga[6]As[4]N[6]2)(C[5]C[5]C)2(CH3)	Ga[6](N[6]C[6a]C[6])2(As[4]As[4]2)(C[5]C[5]2C){1|Ga<4>,4|C<4>,7|C<3>}	As[4](Ga[6]C[5]N[6]2)(As[4]Ga[4,6])2{1|C<4>,2|N<3>,6|C<3>}	C[5](Ga[6]As[4]N[6]2)(C[5]C[5]C)2(CH3){2|As<2>,2|C<4>,4|C<3>}	110.0200	0.000	1	110.0200	0.000	1	110.0200	0.000	1	110.0200	0.000	1	110.0200	0.000	1	110.0200	0.000	1
943	6	856	0:SP-NON_SP2_SP2	Ga[6]	As[4]	N[6]	3:3:3:4:	4:2:2:	4:3:3:	N[6]-3:N[6]-3:As[4]-3:C[5]-4:	Ga[6]-4:As[4]-2:As[4]-2:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(As[4]As[4]2)(C[5]C[5]2C)	As[4](Ga[6]C[5]N[6]2)(As[4]Ga[4,6])2	N[6](Ga[6]As[4]C[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(As[4]As[4]2)(C[5]C[5]2C){1|Ga<4>,4|C<4>,7|C<3>}	As[4](Ga[6]C[5]N[6]2)(As[4]Ga[4,6])2{1|C<4>,2|N<3>,6|C<3>}	N[6](Ga[6]As[4]C[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|As<2>,1|H<1>,3|C<4>,6|C<3>}	109.0905	0.419	2	109.0905	0.176	2	109.0905	0.176	2	109.0905	0.176	2	109.0905	0.176	2	109.0905	0.176	2
943	194	490	0:SP-NON_SP3_SP3	Ga[6,6]	O[6,6]	C	3:3:2:4:	4:4:4:	4:1:1:1:	O[6,6]-3:N[6,6]-3:N[6]-2:C-4:	Ga[6,6]-4:Ga[6,6]-4:Ga[6]-4:	Ga[6,6]-4:H-1:H-1:H-1:	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6,6]Ga[6]C[6])(N[6]C[6])(CH3)	O[6,6](Ga[6,6]N[6,6]N[6]C)(Ga[6,6]N[6]2C)(Ga[6]N[6]CC)	C(Ga[6,6]N[6,6]O[6,6]N[6])(H)3	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6,6]Ga[6]C[6])(N[6]C[6])(CH3){1|N<2>,2|C<3>,3|N<3>,5|C<4>}	O[6,6](Ga[6,6]N[6,6]N[6]C)(Ga[6,6]N[6]2C)(Ga[6]N[6]CC){1|Ga<4>,5|C<3>}	C(Ga[6,6]N[6,6]O[6,6]N[6])(H)3	110.8310	0.000	1	110.8310	0.000	1	110.8310	0.000	1	110.8390	0.000	2	110.8390	0.000	2	108.9718	5.058	4
943	194	490	0:SP-NON_SP3_SP3	Ga[6,6]	O[6,6]	C	3:3:2:4:	4:4:4:	4:1:1:1:	O[6,6]-3:N[6]-3:N[6]-2:C-4:	Ga[6,6]-4:Ga[6,6]-4:Ga[6]-4:	Ga[6,6]-4:H-1:H-1:H-1:	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6]C[6a]C[6])(N[6]C[6])(CH3)	O[6,6](Ga[6,6]N[6,6]N[6]C)(Ga[6,6]N[6]2C)(Ga[6]N[6]CC)	C(Ga[6,6]O[6,6]N[6]2)(H)3	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6]C[6a]C[6])(N[6]C[6])(CH3){1|N<2>,2|N<3>,3|C<4>,4|C<3>}	O[6,6](Ga[6,6]N[6,6]N[6]C)(Ga[6,6]N[6]2C)(Ga[6]N[6]CC){1|Ga<4>,5|C<3>}	C(Ga[6,6]O[6,6]N[6]2)(H)3	110.8470	0.000	1	110.8470	0.000	1	110.8470	0.000	1	110.8390	0.000	2	110.8390	0.000	2	108.9718	5.058	4
943	194	490	0:SP-NON_SP3_SP3	Ga[6]	O[6,6]	C	3:3:4:4:	4:4:4:	4:1:1:1:	O[6,6]-3:N[6]-3:C-4:C-4:	Ga[6,6]-4:Ga[6,6]-4:Ga[6]-4:	Ga[6]-4:H-1:H-1:H-1:	Ga[6](O[6,6]Ga[6,6]2)(N[6]C[6a]C[6])(CH3)2	O[6,6](Ga[6,6]N[6,6]N[6]C)(Ga[6,6]N[6]2C)(Ga[6]N[6]CC)	C(Ga[6]O[6,6]N[6]C)(H)3	Ga[6](O[6,6]Ga[6,6]2)(N[6]C[6a]C[6])(CH3)2{2|C<4>,2|N<2>,2|N<3>,3|C<3>}	O[6,6](Ga[6,6]N[6,6]N[6]C)(Ga[6,6]N[6]2C)(Ga[6]N[6]CC){1|Ga<4>,5|C<3>}	C(Ga[6]O[6,6]N[6]C)(H)3	107.1045	1.108	2	107.1045	1.228	2	107.1045	1.228	2	107.1045	1.228	2	107.1045	1.228	2	108.9718	5.058	4
943	194	856	6:SP-NON_SP2_SP3	Ga[6,6]	O[6,6]	N[6,6]	3:3:2:4:	4:4:4:	4:3:4:	O[6,6]-3:N[6,6]-3:N[6]-2:C-4:	Ga[6,6]-4:Ga[6,6]-4:Ga[6]-4:	Ga[6,6]-4:C[6]-3:Ga[6]-4:	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6,6]Ga[6]C[6])(N[6]C[6])(CH3)	O[6,6](Ga[6,6]N[6,6]N[6]C)(Ga[6,6]N[6]2C)(Ga[6]N[6]CC)	N[6,6](Ga[6,6]O[6,6]N[6]C)(C[6]C[6a]N[6])(Ga[6]N[6]CC)	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6,6]Ga[6]C[6])(N[6]C[6])(CH3){1|N<2>,2|C<3>,3|N<3>,5|C<4>}	O[6,6](Ga[6,6]N[6,6]N[6]C)(Ga[6,6]N[6]2C)(Ga[6]N[6]CC){1|Ga<4>,5|C<3>}	N[6,6](Ga[6,6]O[6,6]N[6]C)(C[6]C[6a]N[6])(Ga[6]N[6]CC){2|Ga<4>,5|C<3>}	105.7160	0.000	1	105.7160	0.000	1	105.7160	0.000	1	105.7160	0.000	1	105.7160	0.000	1	104.4110	12.059	3
943	194	856	6:SP-NON_SP2_SP3	Ga[6,6]	O[6,6]	N[6]	3:3:2:4:	4:4:4:	4:3:3:	O[6,6]-3:N[6]-3:N[6]-2:C-4:	Ga[6,6]-4:Ga[6,6]-4:Ga[6]-4:	Ga[6,6]-4:C[6]-3:C[6a]-3:	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6]C[6a]C[6])(N[6]C[6])(CH3)	O[6,6](Ga[6,6]N[6,6]N[6]C)(Ga[6,6]N[6]2C)(Ga[6]N[6]CC)	N[6](Ga[6,6]O[6,6]N[6]C)(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6]C[6a]C[6])(N[6]C[6])(CH3){1|N<2>,2|N<3>,3|C<4>,4|C<3>}	O[6,6](Ga[6,6]N[6,6]N[6]C)(Ga[6,6]N[6]2C)(Ga[6]N[6]CC){1|Ga<4>,5|C<3>}	N[6](Ga[6,6]O[6,6]N[6]C)(C[6]N[6,6]C[6a])(C[6a]C[6a]2){3|Ga<4>,2|C<4>,5|C<3>}	107.0420	0.000	1	107.0420	0.000	1	107.0420	0.000	1	107.0420	0.000	1	107.0420	0.000	1	104.4110	12.059	3
943	194	856	6:SP-NON_SP2_SP3	Ga[6]	O[6,6]	N[6]	3:3:4:4:	4:4:4:	4:3:3:	O[6,6]-3:N[6]-3:C-4:C-4:	Ga[6,6]-4:Ga[6,6]-4:Ga[6]-4:	Ga[6]-4:C[6]-3:C[6a]-3:	Ga[6](O[6,6]Ga[6,6]2)(N[6]C[6a]C[6])(CH3)2	O[6,6](Ga[6,6]N[6,6]N[6]C)(Ga[6,6]N[6]2C)(Ga[6]N[6]CC)	N[6](Ga[6]O[6,6]CC)(C[6]C[6a]N[6])(C[6a]C[6a]2)	Ga[6](O[6,6]Ga[6,6]2)(N[6]C[6a]C[6])(CH3)2{2|C<4>,2|N<2>,2|N<3>,3|C<3>}	O[6,6](Ga[6,6]N[6,6]N[6]C)(Ga[6,6]N[6]2C)(Ga[6]N[6]CC){1|Ga<4>,5|C<3>}	N[6](Ga[6]O[6,6]CC)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|Ga<4>,2|C<4>,4|C<3>}	100.4750	0.000	1	100.4750	0.000	1	100.4750	0.000	1	100.4750	0.000	1	100.4750	0.000	1	104.4110	12.059	3
943	194	914	0:SP-NON_SP2_SP3	Ga[6,6]	O[6,6]	N[6]	3:3:2:4:	4:4:4:	4:3:	O[6,6]-3:N[6,6]-3:N[6]-2:C-4:	Ga[6,6]-4:Ga[6,6]-4:Ga[6]-4:	Ga[6,6]-4:C[6]-3:	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6,6]Ga[6]C[6])(N[6]C[6])(CH3)	O[6,6](Ga[6,6]N[6,6]N[6]C)(Ga[6,6]N[6]2C)(Ga[6]N[6]CC)	N[6](Ga[6,6]N[6,6]O[6,6]C)(C[6]C[6a]N[6])	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6,6]Ga[6]C[6])(N[6]C[6])(CH3){1|N<2>,2|C<3>,3|N<3>,5|C<4>}	O[6,6](Ga[6,6]N[6,6]N[6]C)(Ga[6,6]N[6]2C)(Ga[6]N[6]CC){1|Ga<4>,5|C<3>}	N[6](Ga[6,6]N[6,6]O[6,6]C)(C[6]C[6a]N[6]){3|Ga<4>,4|C<3>}	104.9720	0.000	1	104.9720	0.000	1	104.9720	0.000	1	104.9720	0.000	1	104.9720	0.000	1	104.9720	0.000	1
943	194	914	6:SP-NON_SP2_SP3	Ga[6,6]	O[6,6]	N[6]	3:3:2:4:	4:4:4:	4:3:	O[6,6]-3:N[6]-3:N[6]-2:C-4:	Ga[6,6]-4:Ga[6,6]-4:Ga[6]-4:	Ga[6,6]-4:C[6]-3:	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6]C[6a]C[6])(N[6]C[6])(CH3)	O[6,6](Ga[6,6]N[6,6]N[6]C)(Ga[6,6]N[6]2C)(Ga[6]N[6]CC)	N[6](Ga[6,6]O[6,6]N[6]C)(C[6]C[6a]N[6])	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6]C[6a]C[6])(N[6]C[6])(CH3){1|N<2>,2|N<3>,3|C<4>,4|C<3>}	O[6,6](Ga[6,6]N[6,6]N[6]C)(Ga[6,6]N[6]2C)(Ga[6]N[6]CC){1|Ga<4>,5|C<3>}	N[6](Ga[6,6]O[6,6]N[6]C)(C[6]C[6a]N[6]){2|Ga<4>,5|C<3>}	102.0410	0.000	1	102.0410	0.000	1	102.0410	0.000	1	102.0410	0.000	1	102.0410	0.000	1	102.0410	0.000	1
943	246	790	0:SP-NON_SP-NON_SP3	Ga[6]	P[5,5]	Cl	3:3:3:1:	3:3:4:	4:	P[5,5]-3:N[6]-3:N[6]-3:Cl-1:	P[3x5]-3:P[3,5,5]-3:Ga[6]-4:	Ga[6]-4:	Ga[6](P[5,5]P[3,5,5]P[3x5])(N[6]C[6a]C[6])2(Cl)	P[5,5](P[3x5]Ga[5,5,6]P[5,5])(P[3,5,5]P[3,5,5]2)(Ga[6]N[6]2Cl)	Cl(Ga[6]P[5,5]N[6]2)	Ga[6](P[5,5]P[3,5,5]P[3x5])(N[6]C[6a]C[6])2(Cl){1|Ga<4>,2|C<4>,3|P<3>,5|C<3>}	P[5,5](P[3x5]Ga[5,5,6]P[5,5])(P[3,5,5]P[3,5,5]2)(Ga[6]N[6]2Cl){1|C<4>,2|N<3>,4|C<3>}	Cl(Ga[6]P[5,5]N[6]2)	111.3500	0.000	1	111.3500	0.000	1	111.3500	0.000	1	111.3500	0.000	1	111.3500	0.000	1	111.3500	0.000	1
943	246	856	0:SP-NON_SP2_SP3	Ga[6]	P[5,5]	N[6]	3:3:3:1:	3:3:4:	4:3:3:	P[5,5]-3:N[6]-3:N[6]-3:Cl-1:	P[3x5]-3:P[3,5,5]-3:Ga[6]-4:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](P[5,5]P[3,5,5]P[3x5])(N[6]C[6a]C[6])2(Cl)	P[5,5](P[3x5]Ga[5,5,6]P[5,5])(P[3,5,5]P[3,5,5]2)(Ga[6]N[6]2Cl)	N[6](Ga[6]P[5,5]N[6]Cl)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](P[5,5]P[3,5,5]P[3x5])(N[6]C[6a]C[6])2(Cl){1|Ga<4>,2|C<4>,3|P<3>,5|C<3>}	P[5,5](P[3x5]Ga[5,5,6]P[5,5])(P[3,5,5]P[3,5,5]2)(Ga[6]N[6]2Cl){1|C<4>,2|N<3>,4|C<3>}	N[6](Ga[6]P[5,5]N[6]Cl)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|P<3>,4|C<3>}	120.4450	21.270	2	120.4450	452.403	2	120.4450	452.403	2	120.4450	452.403	2	124.7758	330.007	4	124.7758	330.007	4
943	246	856	0:SP-NON_SP2_SP3	Ga[6]	P[5,5]	N[6]	3:3:3:2:	3:3:4:	4:3:3:	P[5,5]-3:N[6]-3:N[6]-3:O-2:	P[3x5]-3:P[3,5,5]-3:Ga[6]-4:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](P[5,5]P[3,5,5]P[3x5])(N[6]C[6a]C[6])2(OS)	P[5,5](P[3x5]Ga[5,5,6]P[5,5])(P[3,5,5]P[3,5,5]2)(Ga[6]N[6]2O)	N[6](Ga[6]P[5,5]N[6]O)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](P[5,5]P[3,5,5]P[3x5])(N[6]C[6a]C[6])2(OS){1|Ga<4>,2|C<4>,3|P<3>,5|C<3>}	P[5,5](P[3x5]Ga[5,5,6]P[5,5])(P[3,5,5]P[3,5,5]2)(Ga[6]N[6]2O){1|C<4>,2|N<3>,4|C<3>}	N[6](Ga[6]P[5,5]N[6]O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|P<3>,4|C<3>}	129.1065	21.508	2	129.1065	462.597	2	129.1065	462.597	2	129.1065	462.597	2	124.7758	330.007	4	124.7758	330.007	4
943	246	893	0:SP-NON_SP3_SP3	Ga[6]	P[5,5]	O	3:3:3:2:	3:3:4:	4:4:	P[5,5]-3:N[6]-3:N[6]-3:O-2:	P[3x5]-3:P[3,5,5]-3:Ga[6]-4:	Ga[6]-4:S-4:	Ga[6](P[5,5]P[3,5,5]P[3x5])(N[6]C[6a]C[6])2(OS)	P[5,5](P[3x5]Ga[5,5,6]P[5,5])(P[3,5,5]P[3,5,5]2)(Ga[6]N[6]2O)	O(Ga[6]P[5,5]N[6]2)(SCOO)	Ga[6](P[5,5]P[3,5,5]P[3x5])(N[6]C[6a]C[6])2(OS){1|Ga<4>,2|C<4>,3|P<3>,5|C<3>}	P[5,5](P[3x5]Ga[5,5,6]P[5,5])(P[3,5,5]P[3,5,5]2)(Ga[6]N[6]2O){1|C<4>,2|N<3>,4|C<3>}	O(Ga[6]P[5,5]N[6]2)(SCOO)	94.3560	0.000	1	94.3560	0.000	1	94.3560	0.000	1	94.3560	0.000	1	94.3560	0.000	1	94.3560	0.000	1
943	286	286	0:SP-NON_SP3_SP3	Ga[6x6]	S[6,6]	S[6,6]	3:3:2:2:	4:4:	4:4:	S[6x6]-3:S[6x6]-3:S[6,6]-2:S[6,6]-2:	Ga[6x6]-4:Ga[3x6]-4:	Ga[6x6]-4:Ga[3x6]-4:	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N[6])	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N)	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2{1|N<3>,1|N<4>,2|S<3>,8|S<2>}	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N[6]){5|Ga<4>,2|C<3>}	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N){5|Ga<4>}	108.2143	1.229	3	108.2143	1.509	3	108.8307	1.136	15	108.8307	1.136	15	108.8307	1.136	15	108.8307	1.136	15
943	286	286	0:SP-NON_SP3_SP3	Ga[6x6]	S[6,6]	S[6,6]	3:3:2:2:	4:4:	4:4:	S[6x6]-3:S[6x6]-3:S[6,6]-2:S[6,6]-2:	Ga[6x6]-4:Ga[3x6]-4:	Ga[6x6]-4:Ga[3x6]-4:	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N[6])	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N[6])	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2{2|N<3>,2|S<3>,8|S<2>}	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N[6]){5|Ga<4>,2|C<3>}	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N[6]){5|Ga<4>,2|C<3>}	109.0198	0.995	9	109.0198	0.990	9	108.8307	1.136	15	108.8307	1.136	15	108.8307	1.136	15	108.8307	1.136	15
943	286	286	0:SP-NON_SP3_SP3	Ga[6x6]	S[6,6]	S[6,6]	3:3:2:2:	4:4:	4:4:	S[6x6]-3:S[6x6]-3:S[6,6]-2:S[6,6]-2:	Ga[6x6]-4:Ga[3x6]-4:	Ga[6x6]-4:Ga[3x6]-4:	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N[6])	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2S)	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2{1|N<3>,1|S<1>,2|S<3>,8|S<2>}	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N[6]){5|Ga<4>,2|C<3>}	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2S){5|Ga<4>}	108.8800	1.321	3	108.8800	1.744	3	108.8307	1.136	15	108.8307	1.136	15	108.8307	1.136	15	108.8307	1.136	15
943	286	286	6:SP-NON_SP3_SP3	Ga[3x6]	S[6,6]	S[6,6]	2:2:2:1:	4:4:	4:4:	S[6,6]-2:S[6,6]-2:S[6,6]-2:S-1:	Ga[6x6]-4:Ga[3x6]-4:	Ga[6x6]-4:Ga[3x6]-4:	Ga[3x6](S[6,6]Ga[6x6])3(S)	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2S)	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2S)	Ga[3x6](S[6,6]Ga[6x6])3(S){3|S<2>,3|S<3>}	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2S){5|Ga<4>}	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2S){5|Ga<4>}	114.3637	2.725	3	114.3637	7.426	3	114.3637	7.426	3	114.3637	7.426	3	116.0899	2.832	31	116.6429	17.350	49
943	286	286	6:SP-NON_SP3_SP3	Ga[3x6]	S[6,6]	S[6,6]	2:2:2:3:	4:4:	4:4:	S[6,6]-2:S[6,6]-2:S[6,6]-2:N[6]-3:	Ga[6x6]-4:Ga[3x6]-4:	Ga[6x6]-4:Ga[3x6]-4:	Ga[3x6](S[6,6]Ga[6x6])3(N[6]C[6]2)	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N[6])	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N[6])	Ga[3x6](S[6,6]Ga[6x6])3(N[6]C[6]2){2|C<3>,2|H<1>,3|S<2>,3|S<3>}	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N[6]){5|Ga<4>,2|C<3>}	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N[6]){5|Ga<4>,2|C<3>}	116.2856	1.567	25	116.2856	2.457	25	116.2856	2.457	25	116.2856	2.457	25	116.0899	2.832	31	116.6429	17.350	49
943	286	286	6:SP-NON_SP3_SP3	Ga[3x6]	S[6,6]	S[6,6]	2:2:2:4:	4:4:	4:4:	S[6,6]-2:S[6,6]-2:S[6,6]-2:N-4:	Ga[6x6]-4:Ga[3x6]-4:	Ga[6x6]-4:Ga[3x6]-4:	Ga[3x6](S[6,6]Ga[6x6])3(NH3)	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N)	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N)	Ga[3x6](S[6,6]Ga[6x6])3(NH3){3|S<2>,3|S<3>}	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N){5|Ga<4>}	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N){5|Ga<4>}	116.1850	0.780	3	116.1850	0.609	3	116.1850	0.609	3	116.1850	0.609	3	116.0899	2.832	31	116.6429	17.350	49
943	286	286	6:SP-NON_SP3_SP3	Ga[6,6]	S[6]	S[6,6]	2:3:2:2:	4:4:	4:4:	S[6,6]-2:N[6]-3:S[6]-2:S[6]-2:	Ga[6,6]-4:Ga[6]-4:	Ga[6,6]-4:Ga[6,6]-4:	Ga[6,6](S[6,6]Ga[6,6])(N[6]C[6]2)(S[6]Ga[6])2	S[6](Ga[6,6]S[6,6]N[6]S[6])(Ga[6]N[6]2S[6])	S[6,6](Ga[6,6]N[6]S[6]2)2	Ga[6,6](S[6,6]Ga[6,6])(N[6]C[6]2)(S[6]Ga[6])2{2|C<3>,2|H<1>,2|S<2>,5|N<3>}	S[6](Ga[6,6]S[6,6]N[6]S[6])(Ga[6]N[6]2S[6]){2|Ga<4>,6|C<3>}	S[6,6](Ga[6,6]N[6]S[6]2)2{2|Ga<4>,4|C<3>}	115.5655	0.128	2	115.5655	0.016	2	115.5655	0.016	2	115.5655	0.016	2	115.5655	0.016	2	116.6429	17.350	49
943	286	286	6:SP-NON_SP3_SP3	Ga[6,6]	S[6]	S[6]	2:3:2:2:	4:4:	4:4:	S[6,6]-2:N[6]-3:S[6]-2:S[6]-2:	Ga[6,6]-4:Ga[6]-4:	Ga[6,6]-4:Ga[6]-4:	Ga[6,6](S[6,6]Ga[6,6])(N[6]C[6]2)(S[6]Ga[6])2	S[6](Ga[6,6]S[6,6]N[6]S[6])(Ga[6]N[6]2S[6])	S[6](Ga[6,6]S[6,6]N[6]S[6])(Ga[6]N[6]2S[6])	Ga[6,6](S[6,6]Ga[6,6])(N[6]C[6]2)(S[6]Ga[6])2{2|C<3>,2|H<1>,2|S<2>,5|N<3>}	S[6](Ga[6,6]S[6,6]N[6]S[6])(Ga[6]N[6]2S[6]){2|Ga<4>,6|C<3>}	S[6](Ga[6,6]S[6,6]N[6]S[6])(Ga[6]N[6]2S[6]){2|Ga<4>,6|C<3>}	113.3540	0.000	1	113.3540	0.000	1	113.3540	0.000	1	113.3540	0.000	1	113.3540	0.000	1	116.6429	17.350	49
943	286	286	6:SP-NON_SP3_SP3	Ga[6]	S[6]	S[6]	2:2:1:1:	4:4:	4:4:	S[6]-2:S[6]-2:Cl-1:Cl-1:	P[6]-4:Ga[6]-4:	Ga[6]-4:P[6]-4:	Ga[6](S[6]P[6])2(Cl)2	S[6](P[6]C[6a]2N[6])(Ga[6]S[6]Cl2)	S[6](Ga[6]S[6]Cl2)(P[6]N[6]CC)	Ga[6](S[6]P[6])2(Cl)2{1|N<2>,2|C<3>,2|C<4>}	S[6](P[6]C[6a]2N[6])(Ga[6]S[6]Cl2){1|P<4>,4|C<3>}	S[6](Ga[6]S[6]Cl2)(P[6]N[6]CC){1|P<4>}	112.8250	0.000	1	112.8250	0.000	1	112.8250	0.000	1	112.1330	0.958	2	118.9779	42.060	14	116.6429	17.350	49
943	286	286	6:SP-NON_SP3_SP3	Ga[6]	S[6]	S[6]	2:2:1:1:	4:4:	4:4:	S[6]-2:S[6]-2:Cl-1:Cl-1:	P[6]-4:Ga[6]-4:	P[6]-4:Ga[6]-4:	Ga[6](S[6]P[6])2(Cl)2	S[6](P[6]C[6a]2N[6])(Ga[6]S[6]Cl2)	S[6](P[6]C[6a]2N[6])(Ga[6]S[6]Cl2)	Ga[6](S[6]P[6])2(Cl)2{1|N<2>,4|C<3>}	S[6](P[6]C[6a]2N[6])(Ga[6]S[6]Cl2){1|P<4>,4|C<3>}	S[6](P[6]C[6a]2N[6])(Ga[6]S[6]Cl2){1|P<4>,4|C<3>}	111.4410	0.000	1	111.4410	0.000	1	111.4410	0.000	1	112.1330	0.958	2	118.9779	42.060	14	116.6429	17.350	49
943	286	286	6:SP-NON_SP3_SP3	Ga[6]	S[6]	S[6]	2:2:3:3:	4:4:	4:4:	S[6]-2:S[6]-2:N[6]-3:N[6]-3:	Ga[6,6]-4:Ga[6]-4:	Ga[6,6]-4:Ga[6]-4:	Ga[6](S[6]Ga[6,6])2(N[6]C[6]2)2	S[6](Ga[6,6]S[6,6]N[6]S[6])(Ga[6]N[6]2S[6])	S[6](Ga[6,6]S[6,6]N[6]S[6])(Ga[6]N[6]2S[6])	Ga[6](S[6]Ga[6,6])2(N[6]C[6]2)2{2|N<3>,3|S<2>,4|C<3>,4|H<1>}	S[6](Ga[6,6]S[6,6]N[6]S[6])(Ga[6]N[6]2S[6]){2|Ga<4>,6|C<3>}	S[6](Ga[6,6]S[6,6]N[6]S[6])(Ga[6]N[6]2S[6]){2|Ga<4>,6|C<3>}	125.9030	0.000	1	125.9030	0.000	1	125.9030	0.000	1	125.9030	0.000	1	118.9779	42.060	14	116.6429	17.350	49
943	286	286	6:SP-NON_SP3_SP3	Ga[6]	S[6]	S[6]	2:2:4:1:	4:4:	4:4:	S[6]-2:S[6]-2:C-4:Cl-1:	P[6]-4:Ga[6]-4:	P[6]-4:Ga[6]-4:	Ga[6](S[6]P[6])2(CH3)(Cl)	S[6](P[6]C[6a]2N[6])(Ga[6]S[6]ClC)	S[6](P[6]C[6a]2N[6])(Ga[6]S[6]ClC)	Ga[6](S[6]P[6])2(CH3)(Cl){1|N<2>,4|C<3>}	S[6](P[6]C[6a]2N[6])(Ga[6]S[6]ClC){1|P<4>,4|C<3>}	S[6](P[6]C[6a]2N[6])(Ga[6]S[6]ClC){1|P<4>,4|C<3>}	107.7060	0.000	1	107.7060	0.000	1	107.7060	0.000	1	107.7060	0.000	1	118.9779	42.060	14	116.6429	17.350	49
943	286	286	6:SP-NON_SP3_SP3	Ga[6]	S[6]	S[6]	3:2:2:1:	4:4:	4:4:	C[6]-3:S[6]-2:S[6]-2:Cl-1:	Ga[6]-4:P[6]-4:	Ga[6]-4:P[6]-4:	Ga[6](C[6]P[6]2)(S[6]P[6])2(Cl)	S[6](Ga[6]C[6]S[6]Cl)(P[6]C[6a]2C[6])	S[6](Ga[6]C[6]S[6]Cl)(P[6]C[6a]2C[6])	Ga[6](C[6]P[6]2)(S[6]P[6])2(Cl){2|S<2>,9|C<3>}	S[6](Ga[6]C[6]S[6]Cl)(P[6]C[6a]2C[6]){1|Ga<4>,3|P<4>,4|C<3>}	S[6](Ga[6]C[6]S[6]Cl)(P[6]C[6a]2C[6]){1|Ga<4>,3|P<4>,4|C<3>}	107.1150	0.000	1	107.1150	0.000	1	107.1150	0.000	1	120.7816	27.175	10	118.9779	42.060	14	116.6429	17.350	49
943	286	286	6:SP-NON_SP3_SP3	Ga[6]	S[6]	S[6]	3:2:2:1:	4:4:	4:4:	N[6]-3:S[6]-2:S[6]-2:Br-1:	Ga[6]-4:Ga[6]-4:	Ga[6]-4:Ga[6]-4:	Ga[6](N[6]C[6]2)(S[6]Ga[6])2(Br)	S[6](Ga[6]N[6]S[6]Br)2	S[6](Ga[6]N[6]S[6]Br)2	Ga[6](N[6]C[6]2)(S[6]Ga[6])2(Br){2|Br<1>,1|S<2>,2|C<3>,2|H<1>,2|N<3>}	S[6](Ga[6]N[6]S[6]Br)2{1|Ga<4>,4|C<3>}	S[6](Ga[6]N[6]S[6]Br)2{1|Ga<4>,4|C<3>}	121.2600	1.581	6	121.2600	2.499	6	121.2600	2.499	6	120.7816	27.175	10	118.9779	42.060	14	116.6429	17.350	49
943	286	286	6:SP-NON_SP3_SP3	Ga[6]	S[6]	S[6]	3:2:2:1:	4:4:	4:4:	N[6]-3:S[6]-2:S[6]-2:Cl-1:	Ga[6]-4:Ga[6]-4:	Ga[6]-4:Ga[6]-4:	Ga[6](N[6]C[6]2)(S[6]Ga[6])2(Cl)	S[6](Ga[6]N[6]S[6]Cl)2	S[6](Ga[6]N[6]S[6]Cl)2	Ga[6](N[6]C[6]2)(S[6]Ga[6])2(Cl){2|Cl<1>,1|S<2>,2|C<3>,2|H<1>,2|N<3>}	S[6](Ga[6]N[6]S[6]Cl)2{1|Ga<4>,4|C<3>}	S[6](Ga[6]N[6]S[6]Cl)2{1|Ga<4>,4|C<3>}	124.3803	1.594	3	124.3803	2.540	3	124.3803	2.540	3	120.7816	27.175	10	118.9779	42.060	14	116.6429	17.350	49
943	286	286	6:SP-NON_SP3_SP3	Ga[6x6]	S[6,6]	S[6,6]	3:3:2:2:	4:4:	4:4:	S[6x6]-3:S[6x6]-3:S[6,6]-2:S[6,6]-2:	Ga[6x6]-4:Ga[3x6]-4:	Ga[6x6]-4:Ga[3x6]-4:	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N[6])	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N[6])	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2{2|N<3>,2|S<3>,8|S<2>}	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N[6]){5|Ga<4>,2|C<3>}	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N[6]){5|Ga<4>,2|C<3>}	106.5400	0.000	1	106.5400	0.000	1	106.5400	0.000	1	106.5400	0.000	1	106.5400	0.000	1	116.6429	17.350	49
943	286	490	0:SP-NON_SP2_SP3	Ga[6]	S[6]	C	3:2:4:4:	4:3:	4:4:4:4:	C[6]-3:S[6]-2:C-4:C-4:	Ga[6]-4:C[6]-3:	Ga[6]-4:C-4:C-4:C-4:	Ga[6](C[6]Ge[6]C)(S[6]C[6])(CC3)2	S[6](Ga[6]C[6]CC)(C[6]N[6]N)	C(Ga[6]C[6]S[6]C)(CH3)3	Ga[6](C[6]Ge[6]C)(S[6]C[6])(CC3)2{1|C<2>,3|N<3>}	S[6](Ga[6]C[6]CC)(C[6]N[6]N){1|Ge<4>,2|C<3>}	C(Ga[6]C[6]S[6]C)(CH3)3	103.6577	10.401	2	103.6577	108.171	2	103.6577	108.171	2	103.6577	108.171	2	103.6577	108.171	2	103.6577	108.171	2
943	286	490	0:SP-NON_SP3_SP3	Ga[6]	S[6]	C	2:2:4:1:	4:4:	4:1:1:1:	S[6]-2:S[6]-2:C-4:Cl-1:	P[6]-4:Ga[6]-4:	Ga[6]-4:H-1:H-1:H-1:	Ga[6](S[6]P[6])2(CH3)(Cl)	S[6](P[6]C[6a]2N[6])(Ga[6]S[6]ClC)	C(Ga[6]S[6]2Cl)(H)3	Ga[6](S[6]P[6])2(CH3)(Cl){1|N<2>,4|C<3>}	S[6](P[6]C[6a]2N[6])(Ga[6]S[6]ClC){1|P<4>,4|C<3>}	C(Ga[6]S[6]2Cl)(H)3	111.8170	2.459	2	111.8170	6.048	2	111.8170	6.048	2	111.8170	6.048	2	111.8170	6.048	2	111.8170	6.048	2
943	286	762	6:SP-NON_SP2_SP2	Ga[6]	S[6]	C[6]	3:2:4:4:	4:3:	4:4:3:	C[6]-3:S[6]-2:C-4:C-4:	Ga[6]-4:C[6]-3:	Ga[6]-4:Ge[6]-4:C-3:	Ga[6](C[6]Ge[6]C)(S[6]C[6])(CC3)2	S[6](Ga[6]C[6]CC)(C[6]N[6]N)	C[6](Ga[6]S[6]CC)(Ge[6]N[6]CN)(CCH)	Ga[6](C[6]Ge[6]C)(S[6]C[6])(CC3)2{1|C<2>,3|N<3>}	S[6](Ga[6]C[6]CC)(C[6]N[6]N){1|Ge<4>,2|C<3>}	C[6](Ga[6]S[6]CC)(Ge[6]N[6]CN)(CCH){2|C<3>}	97.1861	0.000	1	97.1861	0.000	1	97.1861	0.000	1	97.1861	0.000	1	97.1861	0.000	1	97.1861	0.000	1
943	286	762	6:SP-NON_SP2_SP3	Ga[6]	S[6]	C[6]	3:2:2:1:	4:4:	4:4:4:	C[6]-3:S[6]-2:S[6]-2:Cl-1:	Ga[6]-4:P[6]-4:	P[6]-4:P[6]-4:Ga[6]-4:	Ga[6](C[6]P[6]2)(S[6]P[6])2(Cl)	S[6](Ga[6]C[6]S[6]Cl)(P[6]C[6a]2C[6])	C[6](P[6]C[6a]2S[6])2(Ga[6]S[6]2Cl)	Ga[6](C[6]P[6]2)(S[6]P[6])2(Cl){2|S<2>,9|C<3>}	S[6](Ga[6]C[6]S[6]Cl)(P[6]C[6a]2C[6]){1|Ga<4>,3|P<4>,4|C<3>}	C[6](P[6]C[6a]2S[6])2(Ga[6]S[6]2Cl){1|Ga<4>,2|P<4>,8|C<3>}	117.6675	0.364	2	117.6675	0.133	2	117.6675	0.133	2	117.6675	0.133	2	117.6675	0.133	2	117.6675	0.133	2
943	286	790	0:SP-NON_SP-NON_SP3	Ga[6]	S[6]	Cl	2:2:1:1:	4:4:	4:	S[6]-2:S[6]-2:Cl-1:Cl-1:	Ga[6]-4:P[6]-4:	Ga[6]-4:	Ga[6](S[6]P[6])2(Cl)2	S[6](Ga[6]S[6]Cl2)(P[6]N[6]CC)	Cl(Ga[6]S[6]2Cl)	Ga[6](S[6]P[6])2(Cl)2{1|N<2>,2|C<3>,2|C<4>}	S[6](Ga[6]S[6]Cl2)(P[6]N[6]CC){1|P<4>}	Cl(Ga[6]S[6]2Cl)	109.7270	2.669	2	109.7270	7.122	2	109.7270	7.122	2	108.7760	18.075	8	107.4154	19.487	18	107.4154	19.487	18
943	286	790	0:SP-NON_SP-NON_SP3	Ga[6]	S[6]	Cl	2:2:1:1:	4:4:	4:	S[6]-2:S[6]-2:Cl-1:Cl-1:	P[6]-4:Ga[6]-4:	Ga[6]-4:	Ga[6](S[6]P[6])2(Cl)2	S[6](P[6]C[6a]2N[6])(Ga[6]S[6]Cl2)	Cl(Ga[6]S[6]2Cl)	Ga[6](S[6]P[6])2(Cl)2{1|N<2>,2|C<3>,2|C<4>}	S[6](P[6]C[6a]2N[6])(Ga[6]S[6]Cl2){1|P<4>,4|C<3>}	Cl(Ga[6]S[6]2Cl)	107.9320	5.508	2	108.4590	23.398	6	108.4590	23.398	6	108.7760	18.075	8	107.4154	19.487	18	107.4154	19.487	18
943	286	790	0:SP-NON_SP-NON_SP3	Ga[6]	S[6]	Cl	2:2:1:1:	4:4:	4:	S[6]-2:S[6]-2:Cl-1:Cl-1:	P[6]-4:Ga[6]-4:	Ga[6]-4:	Ga[6](S[6]P[6])2(Cl)2	S[6](P[6]C[6a]2N[6])(Ga[6]S[6]Cl2)	Cl(Ga[6]S[6]2Cl)	Ga[6](S[6]P[6])2(Cl)2{1|N<2>,4|C<3>}	S[6](P[6]C[6a]2N[6])(Ga[6]S[6]Cl2){1|P<4>,4|C<3>}	Cl(Ga[6]S[6]2Cl)	108.7225	5.348	4	108.4590	23.398	6	108.4590	23.398	6	108.7760	18.075	8	107.4154	19.487	18	107.4154	19.487	18
943	286	790	0:SP-NON_SP-NON_SP3	Ga[6]	S[6]	Cl	2:2:4:1:	4:4:	4:	S[6]-2:S[6]-2:C-4:Cl-1:	P[6]-4:Ga[6]-4:	Ga[6]-4:	Ga[6](S[6]P[6])2(CH3)(Cl)	S[6](P[6]C[6a]2N[6])(Ga[6]S[6]ClC)	Cl(Ga[6]S[6]2C)	Ga[6](S[6]P[6])2(CH3)(Cl){1|N<2>,4|C<3>}	S[6](P[6]C[6a]2N[6])(Ga[6]S[6]ClC){1|P<4>,4|C<3>}	Cl(Ga[6]S[6]2C)	104.5200	1.718	2	104.5200	2.952	2	104.5200	2.952	2	104.5200	2.952	2	107.4154	19.487	18	107.4154	19.487	18
943	286	790	0:SP-NON_SP-NON_SP3	Ga[6]	S[6]	Cl	3:2:2:1:	4:4:	4:	C[6]-3:S[6]-2:S[6]-2:Cl-1:	Ga[6]-4:P[6]-4:	Ga[6]-4:	Ga[6](C[6]P[6]2)(S[6]P[6])2(Cl)	S[6](Ga[6]C[6]S[6]Cl)(P[6]C[6a]2C[6])	Cl(Ga[6]C[6]S[6]2)	Ga[6](C[6]P[6]2)(S[6]P[6])2(Cl){2|S<2>,9|C<3>}	S[6](Ga[6]C[6]S[6]Cl)(P[6]C[6a]2C[6]){1|Ga<4>,3|P<4>,4|C<3>}	Cl(Ga[6]C[6]S[6]2)	99.7712	0.239	2	99.7712	0.057	2	99.7712	0.057	2	106.7787	23.855	8	107.4154	19.487	18	107.4154	19.487	18
943	286	790	0:SP-NON_SP-NON_SP3	Ga[6]	S[6]	Cl	3:2:2:1:	4:4:	4:	N[6]-3:S[6]-2:S[6]-2:Cl-1:	Ga[6]-4:Ga[6]-4:	Ga[6]-4:	Ga[6](N[6]C[6]2)(S[6]Ga[6])2(Cl)	S[6](Ga[6]N[6]S[6]Cl)2	Cl(Ga[6]N[6]S[6]2)	Ga[6](N[6]C[6]2)(S[6]Ga[6])2(Cl){2|Cl<1>,1|S<2>,2|C<3>,2|H<1>,2|N<3>}	S[6](Ga[6]N[6]S[6]Cl)2{1|Ga<4>,4|C<3>}	Cl(Ga[6]N[6]S[6]2)	109.1145	2.682	6	109.1145	7.195	6	109.1145	7.195	6	106.7787	23.855	8	107.4154	19.487	18	107.4154	19.487	18
943	286	856	0:SP-NON_SP2_SP3	Ga[3x6]	S[6,6]	N[6]	2:2:2:3:	4:4:	4:3:3:	S[6,6]-2:S[6,6]-2:S[6,6]-2:N[6]-3:	Ga[6x6]-4:Ga[3x6]-4:	Ga[3x6]-4:C[6]-3:C[6]-3:	Ga[3x6](S[6,6]Ga[6x6])3(N[6]C[6]2)	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N[6])	N[6](Ga[3x6]S[6,6]3)(C[6]C[6]H)2	Ga[3x6](S[6,6]Ga[6x6])3(N[6]C[6]2){2|C<3>,2|H<1>,3|S<2>,3|S<3>}	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N[6]){5|Ga<4>,2|C<3>}	N[6](Ga[3x6]S[6,6]3)(C[6]C[6]H)2{3|Ga<4>,1|C<3>,2|C<4>}	101.1951	1.472	11	101.3757	8.473	25	101.3757	8.473	25	101.3757	8.473	25	101.3757	8.473	25	103.4063	12.479	50
943	286	856	0:SP-NON_SP2_SP3	Ga[3x6]	S[6,6]	N[6]	2:2:2:3:	4:4:	4:3:3:	S[6,6]-2:S[6,6]-2:S[6,6]-2:N[6]-3:	Ga[6x6]-4:Ga[3x6]-4:	Ga[3x6]-4:C[6]-3:C[6]-3:	Ga[3x6](S[6,6]Ga[6x6])3(N[6]C[6]2)	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N[6])	N[6](Ga[3x6]S[6,6]3)(C[6]C[6]H)2	Ga[3x6](S[6,6]Ga[6x6])3(N[6]C[6]2){2|C<3>,2|H<1>,3|S<2>,3|S<3>}	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N[6]){5|Ga<4>,2|C<3>}	N[6](Ga[3x6]S[6,6]3)(C[6]C[6]H)2{3|Ga<4>,1|C<3>,2|H<1>}	101.5176	3.732	14	101.3757	8.473	25	101.3757	8.473	25	101.3757	8.473	25	101.3757	8.473	25	103.4063	12.479	50
943	286	856	0:SP-NON_SP2_SP3	Ga[6,6]	S[6,6]	N[6]	2:3:2:2:	4:4:	4:3:3:	S[6,6]-2:N[6]-3:S[6]-2:S[6]-2:	Ga[6,6]-4:Ga[6,6]-4:	Ga[6,6]-4:C[6]-3:C[6]-3:	Ga[6,6](S[6,6]Ga[6,6])(N[6]C[6]2)(S[6]Ga[6])2	S[6,6](Ga[6,6]N[6]S[6]2)2	N[6](Ga[6,6]S[6,6]S[6]2)(C[6]C[6]H)2	Ga[6,6](S[6,6]Ga[6,6])(N[6]C[6]2)(S[6]Ga[6])2{2|C<3>,2|H<1>,2|S<2>,5|N<3>}	S[6,6](Ga[6,6]N[6]S[6]2)2{2|Ga<4>,4|C<3>}	N[6](Ga[6,6]S[6,6]S[6]2)(C[6]C[6]H)2{3|Ga<4>,1|C<3>,2|H<1>}	105.2730	0.000	1	105.2730	0.000	1	105.2730	0.000	1	105.2730	0.000	1	105.2730	0.000	1	103.4063	12.479	50
943	286	856	0:SP-NON_SP2_SP3	Ga[6,6]	S[6]	N[6]	2:3:2:2:	4:4:	4:3:3:	S[6,6]-2:N[6]-3:S[6]-2:S[6]-2:	Ga[6,6]-4:Ga[6]-4:	Ga[6,6]-4:C[6]-3:C[6]-3:	Ga[6,6](S[6,6]Ga[6,6])(N[6]C[6]2)(S[6]Ga[6])2	S[6](Ga[6,6]S[6,6]N[6]S[6])(Ga[6]N[6]2S[6])	N[6](Ga[6,6]S[6,6]S[6]2)(C[6]C[6]H)2	Ga[6,6](S[6,6]Ga[6,6])(N[6]C[6]2)(S[6]Ga[6])2{2|C<3>,2|H<1>,2|S<2>,5|N<3>}	S[6](Ga[6,6]S[6,6]N[6]S[6])(Ga[6]N[6]2S[6]){2|Ga<4>,6|C<3>}	N[6](Ga[6,6]S[6,6]S[6]2)(C[6]C[6]H)2{3|Ga<4>,1|C<3>,2|H<1>}	102.3715	0.811	2	102.3715	0.658	2	102.3715	0.658	2	102.3715	0.658	2	102.3715	0.658	2	103.4063	12.479	50
943	286	856	0:SP-NON_SP2_SP3	Ga[6]	S[6]	N[6]	2:2:3:3:	4:4:	4:3:3:	S[6]-2:S[6]-2:N[6]-3:N[6]-3:	Ga[6,6]-4:Ga[6]-4:	Ga[6]-4:C[6]-3:C[6]-3:	Ga[6](S[6]Ga[6,6])2(N[6]C[6]2)2	S[6](Ga[6,6]S[6,6]N[6]S[6])(Ga[6]N[6]2S[6])	N[6](Ga[6]N[6]S[6]2)(C[6]C[6]H)2	Ga[6](S[6]Ga[6,6])2(N[6]C[6]2)2{2|N<3>,3|S<2>,4|C<3>,4|H<1>}	S[6](Ga[6,6]S[6,6]N[6]S[6])(Ga[6]N[6]2S[6]){2|Ga<4>,6|C<3>}	N[6](Ga[6]N[6]S[6]2)(C[6]C[6]H)2{2|Ga<4>,2|H<1>,3|C<3>}	105.8528	3.607	4	105.8528	13.009	4	105.8528	13.009	4	105.8528	13.009	4	105.7229	8.605	22	103.4063	12.479	50
943	286	856	0:SP-NON_SP2_SP3	Ga[6]	S[6]	N[6]	3:2:2:1:	4:4:	4:3:3:	N[6]-3:S[6]-2:S[6]-2:Br-1:	Ga[6]-4:Ga[6]-4:	Ga[6]-4:C[6]-3:C[6]-3:	Ga[6](N[6]C[6]2)(S[6]Ga[6])2(Br)	S[6](Ga[6]N[6]S[6]Br)2	N[6](Ga[6]S[6]2Br)(C[6]C[6]H)2	Ga[6](N[6]C[6]2)(S[6]Ga[6])2(Br){2|Br<1>,1|S<2>,2|C<3>,2|H<1>,2|N<3>}	S[6](Ga[6]N[6]S[6]Br)2{1|Ga<4>,4|C<3>}	N[6](Ga[6]S[6]2Br)(C[6]C[6]H)2{2|Ga<4>,1|C<3>,2|C<4>}	106.8905	2.500	6	105.9448	9.719	12	105.9448	9.719	12	105.6941	8.328	18	105.7229	8.605	22	103.4063	12.479	50
943	286	856	0:SP-NON_SP2_SP3	Ga[6]	S[6]	N[6]	3:2:2:1:	4:4:	4:3:3:	N[6]-3:S[6]-2:S[6]-2:Br-1:	Ga[6]-4:Ga[6]-4:	Ga[6]-4:C[6]-3:C[6]-3:	Ga[6](N[6]C[6]2)(S[6]Ga[6])2(Br)	S[6](Ga[6]N[6]S[6]Br)2	N[6](Ga[6]S[6]2Br)(C[6]C[6]H)2	Ga[6](N[6]C[6]2)(S[6]Ga[6])2(Br){2|Br<1>,1|S<2>,2|C<3>,2|H<1>,2|N<3>}	S[6](Ga[6]N[6]S[6]Br)2{1|Ga<4>,4|C<3>}	N[6](Ga[6]S[6]2Br)(C[6]C[6]H)2{2|Ga<4>,1|C<3>,2|H<1>}	104.9991	3.604	6	105.9448	9.719	12	105.9448	9.719	12	105.6941	8.328	18	105.7229	8.605	22	103.4063	12.479	50
943	286	856	0:SP-NON_SP2_SP3	Ga[6]	S[6]	N[6]	3:2:2:1:	4:4:	4:3:3:	N[6]-3:S[6]-2:S[6]-2:Cl-1:	Ga[6]-4:Ga[6]-4:	Ga[6]-4:C[6]-3:C[6]-3:	Ga[6](N[6]C[6]2)(S[6]Ga[6])2(Cl)	S[6](Ga[6]N[6]S[6]Cl)2	N[6](Ga[6]S[6]2Cl)(C[6]C[6]H)2	Ga[6](N[6]C[6]2)(S[6]Ga[6])2(Cl){2|Cl<1>,1|S<2>,2|C<3>,2|H<1>,2|N<3>}	S[6](Ga[6]N[6]S[6]Cl)2{1|Ga<4>,4|C<3>}	N[6](Ga[6]S[6]2Cl)(C[6]C[6]H)2{2|Ga<4>,1|C<3>,2|C<4>}	105.1927	2.546	6	105.1927	6.482	6	105.1927	6.482	6	105.6941	8.328	18	105.7229	8.605	22	103.4063	12.479	50
943	286	892	0:SP-NON_SP3_SP3	Ga[3x6]	S[6,6]	N	2:2:2:4:	4:4:	4:1:1:1:	S[6,6]-2:S[6,6]-2:S[6,6]-2:N-4:	Ga[6x6]-4:Ga[3x6]-4:	Ga[3x6]-4:H-1:H-1:H-1:	Ga[3x6](S[6,6]Ga[6x6])3(NH3)	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N)	N(Ga[3x6]S[6,6]3)(H)3	Ga[3x6](S[6,6]Ga[6x6])3(NH3){3|S<2>,3|S<3>}	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N){5|Ga<4>}	N(Ga[3x6]S[6,6]3)(H)3	101.3969	1.944	3	101.3969	3.781	3	101.3969	3.781	3	101.3969	3.781	3	101.3969	3.781	3	101.3969	3.781	3
943	286	922	6:SP-NON_SP3_SP3	Ga[6x6]	S[6,6]	S[6x6]	3:3:2:2:	4:4:	4:4:4:	S[6x6]-3:S[6x6]-3:S[6,6]-2:S[6,6]-2:	Ga[6x6]-4:Ga[3x6]-4:	Ga[6x6]-4:Ga[6x6]-4:Ga[6x6]-4:	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N)	S[6x6](Ga[6x6]S[6,6]2S[6x6])3	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2{1|N<3>,1|N<4>,2|S<3>,8|S<2>}	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N){5|Ga<4>}	S[6x6](Ga[6x6]S[6,6]2S[6x6])3{6|Ga<4>}	109.3760	1.215	6	109.3760	1.475	6	109.3852	4.260	59	109.3852	4.260	59	109.3852	4.260	59	109.3852	4.260	59
943	286	922	6:SP-NON_SP3_SP3	Ga[6x6]	S[6,6]	S[6x6]	3:3:2:2:	4:4:	4:4:4:	S[6x6]-3:S[6x6]-3:S[6,6]-2:S[6,6]-2:	Ga[6x6]-4:Ga[3x6]-4:	Ga[6x6]-4:Ga[6x6]-4:Ga[6x6]-4:	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N[6])	S[6x6](Ga[6x6]S[6,6]2S[6x6])3	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2{1|N<3>,1|N<4>,2|S<3>,8|S<2>}	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N[6]){5|Ga<4>,2|C<3>}	S[6x6](Ga[6x6]S[6,6]2S[6x6])3{6|Ga<4>}	109.5463	1.296	6	109.3797	3.904	47	109.3852	4.260	59	109.3852	4.260	59	109.3852	4.260	59	109.3852	4.260	59
943	286	922	6:SP-NON_SP3_SP3	Ga[6x6]	S[6,6]	S[6x6]	3:3:2:2:	4:4:	4:4:4:	S[6x6]-3:S[6x6]-3:S[6,6]-2:S[6,6]-2:	Ga[6x6]-4:Ga[3x6]-4:	Ga[6x6]-4:Ga[6x6]-4:Ga[6x6]-4:	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N[6])	S[6x6](Ga[6x6]S[6,6]2S[6x6])3	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2{1|N<3>,1|S<1>,2|S<3>,8|S<2>}	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N[6]){5|Ga<4>,2|C<3>}	S[6x6](Ga[6x6]S[6,6]2S[6x6])3{6|Ga<4>}	109.3717	4.149	6	109.3797	3.904	47	109.3852	4.260	59	109.3852	4.260	59	109.3852	4.260	59	109.3852	4.260	59
943	286	922	6:SP-NON_SP3_SP3	Ga[6x6]	S[6,6]	S[6x6]	3:3:2:2:	4:4:	4:4:4:	S[6x6]-3:S[6x6]-3:S[6,6]-2:S[6,6]-2:	Ga[6x6]-4:Ga[3x6]-4:	Ga[6x6]-4:Ga[6x6]-4:Ga[6x6]-4:	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N[6])	S[6x6](Ga[6x6]S[6,6]2S[6x6])3	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2{2|N<3>,2|S<3>,8|S<2>}	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2N[6]){5|Ga<4>,2|C<3>}	S[6x6](Ga[6x6]S[6,6]2S[6x6])3{6|Ga<4>}	109.3525	1.580	35	109.3797	3.904	47	109.3852	4.260	59	109.3852	4.260	59	109.3852	4.260	59	109.3852	4.260	59
943	286	922	6:SP-NON_SP3_SP3	Ga[6x6]	S[6,6]	S[6x6]	3:3:2:2:	4:4:	4:4:4:	S[6x6]-3:S[6x6]-3:S[6,6]-2:S[6,6]-2:	Ga[6x6]-4:Ga[3x6]-4:	Ga[6x6]-4:Ga[6x6]-4:Ga[6x6]-4:	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2S)	S[6x6](Ga[6x6]S[6,6]2S[6x6])3	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2{1|N<3>,1|S<1>,2|S<3>,8|S<2>}	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2S){5|Ga<4>}	S[6x6](Ga[6x6]S[6,6]2S[6x6])3{6|Ga<4>}	109.4382	3.468	6	109.4382	12.025	6	109.3852	4.260	59	109.3852	4.260	59	109.3852	4.260	59	109.3852	4.260	59
943	286	924	0:SP-NON_SP-NON_SP3	Ga[6]	S[6]	Br	3:2:2:1:	4:4:	4:	N[6]-3:S[6]-2:S[6]-2:Br-1:	Ga[6]-4:Ga[6]-4:	Ga[6]-4:	Ga[6](N[6]C[6]2)(S[6]Ga[6])2(Br)	S[6](Ga[6]N[6]S[6]Br)2	Br(Ga[6]N[6]S[6]2)	Ga[6](N[6]C[6]2)(S[6]Ga[6])2(Br){2|Br<1>,1|S<2>,2|C<3>,2|H<1>,2|N<3>}	S[6](Ga[6]N[6]S[6]Br)2{1|Ga<4>,4|C<3>}	Br(Ga[6]N[6]S[6]2)	110.2230	3.264	12	110.2230	10.653	12	110.2230	10.653	12	110.2230	10.653	12	110.2230	10.653	12	110.2230	10.653	12
943	286	977	0:SP-NON_SP-NON_SP3	Ga[3x6]	S[6,6]	S	2:2:2:1:	4:4:	4:	S[6,6]-2:S[6,6]-2:S[6,6]-2:S-1:	Ga[6x6]-4:Ga[3x6]-4:	Ga[3x6]-4:	Ga[3x6](S[6,6]Ga[6x6])3(S)	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2S)	S(Ga[3x6]S[6,6]3)	Ga[3x6](S[6,6]Ga[6x6])3(S){3|S<2>,3|S<3>}	S[6,6](Ga[6x6]S[6,6]S[6x6]2)(Ga[3x6]S[6,6]2S){5|Ga<4>}	S(Ga[3x6]S[6,6]3)	103.9400	2.659	3	103.9400	7.071	3	103.9400	7.071	3	103.9400	7.071	3	103.9400	7.071	3	103.9400	7.071	3
943	466	490	0:SP-NON_SP3_SP3	Ga[3x6]	C[6,6]	C	4:2:2:4:	4:4:4:4:	4:4:4:4:	C[6,6]-4:H[6,6]-2:H[6,6]-2:C-4:	Ga[3x6]-4:Ga[3x6]-4:Si-4:C-4:	Ga[3x6]-4:C-4:C-4:C-4:	Ga[3x6](C[6,6]Ga[3x6]SiC)(H[6,6]Ga[3x6])2(CC3)	C[6,6](Ga[3x6]H[6,6]2C)2(SiC[6a]2C)(CC[6a]HH)	C(Ga[3x6]C[6,6]H[6,6]2)(CH3)3	Ga[3x6](C[6,6]Ga[3x6]SiC)(H[6,6]Ga[3x6])2(CC3){1|C<4>,2|H<2>}	C[6,6](Ga[3x6]H[6,6]2C)2(SiC[6a]2C)(CC[6a]HH)	C(Ga[3x6]C[6,6]H[6,6]2)(CH3)3	136.2920	7.815	4	136.2920	61.081	4	136.2920	61.081	4	136.2920	61.081	4	136.2920	61.081	4	129.1242	169.818	6
943	466	490	0:SP-NON_SP3_SP3	Ga[6]	C[6,6]	C	4:4:4:4:	4:4:3:1:	4:4:1:1:	C[6,6]-4:N[6,6]-4:C-4:C-4:	N[6,6]-4:Ga[6]-4:N[6]-3:H-1:	Ga[6]-4:C-4:H-1:H-1:	Ga[6](C[6,6]N[6,6]N[6]H)(N[6,6]C[6,6]C[6]C)(CCHH)2	C[6,6](N[6,6]Ga[6]C[6]C)(Ga[6]N[6,6]CC)(N[6]C[6]C)(H)	C(Ga[6]C[6,6]N[6,6]C)(CH3)(H)2	Ga[6](C[6,6]N[6,6]N[6]H)(N[6,6]C[6,6]C[6]C)(CCHH)2{1|Ga<4>,2|N<3>,3|H<1>,4|C<4>}	C[6,6](N[6,6]Ga[6]C[6]C)(Ga[6]N[6,6]CC)(N[6]C[6]C)(H){1|N<3>,4|H<1>,5|C<4>}	C(Ga[6]C[6,6]N[6,6]C)(CH3)(H)2	114.7885	7.022	2	114.7885	49.312	2	114.7885	49.312	2	114.7885	49.312	2	114.7885	49.312	2	129.1242	169.818	6
943	466	502	6:SP-NON_SP-NON_SP3	Ga[6]	C[6]	Br[6]	4:2:1:1:	4:4:4:4:	3:4:	C[6]-4:Br[6]-2:Cl-1:Cl-1:	C[6]-4:Ga[4]-4:Ga[6]-4:Si-4:	C[6,6a]-3:Ga[6]-4:	Ga[6](C[6]Ga[4]C[6]Si)(Br[6]C[6,6a])(Cl)2	C[6](C[6]C[6,6a]HH)(Ga[4]Cl[4]2Cl)(Ga[6]Br[6]Cl2)(SiC3)	Br[6](C[6,6a]C[6,6a]C[6a])(Ga[6]C[6]Cl2)	Ga[6](C[6]Ga[4]C[6]Si)(Br[6]C[6,6a])(Cl)2{1|Cl<1>,2|Cl<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(Ga[4]Cl[4]2Cl)(Ga[6]Br[6]Cl2)(SiC3){1|Ga<4>,2|C<3>}	Br[6](C[6,6a]C[6,6a]C[6a])(Ga[6]C[6]Cl2){1|Ga<4>,1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	100.0120	0.000	1	100.0120	0.000	1	100.0120	0.000	1	100.0120	0.000	1	100.0120	0.000	1	100.0120	0.000	1
943	466	790	0:SP-NON_SP-NON_SP3	Ga[6]	C[6]	Cl	4:2:1:1:	4:4:4:4:	4:	C[6]-4:Br[6]-2:Cl-1:Cl-1:	C[6]-4:Ga[4]-4:Ga[6]-4:Si-4:	Ga[6]-4:	Ga[6](C[6]Ga[4]C[6]Si)(Br[6]C[6,6a])(Cl)2	C[6](C[6]C[6,6a]HH)(Ga[4]Cl[4]2Cl)(Ga[6]Br[6]Cl2)(SiC3)	Cl(Ga[6]Br[6]C[6]Cl)	Ga[6](C[6]Ga[4]C[6]Si)(Br[6]C[6,6a])(Cl)2{1|Cl<1>,2|Cl<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(Ga[4]Cl[4]2Cl)(Ga[6]Br[6]Cl2)(SiC3){1|Ga<4>,2|C<3>}	Cl(Ga[6]Br[6]C[6]Cl)	120.0875	9.903	2	120.0875	98.070	2	120.0875	98.070	2	120.0875	98.070	2	120.0875	98.070	2	120.0875	98.070	2
943	466	854	6:SP-NON_SP3_SP3	Ga[6]	C[6,6]	N[6,6]	4:4:4:4:	4:4:3:1:	4:4:4:4:	C[6,6]-4:N[6,6]-4:C-4:C-4:	N[6,6]-4:Ga[6]-4:N[6]-3:H-1:	C[6,6]-4:Ga[6]-4:C[6]-4:C-4:	Ga[6](C[6,6]N[6,6]N[6]H)(N[6,6]C[6,6]C[6]C)(CCHH)2	C[6,6](N[6,6]Ga[6]C[6]C)(Ga[6]N[6,6]CC)(N[6]C[6]C)(H)	N[6,6](C[6,6]Ga[6]N[6]H)(Ga[6]C[6,6]CC)(C[6]N[6]HH)(CH3)	Ga[6](C[6,6]N[6,6]N[6]H)(N[6,6]C[6,6]C[6]C)(CCHH)2{1|Ga<4>,2|N<3>,3|H<1>,4|C<4>}	C[6,6](N[6,6]Ga[6]C[6]C)(Ga[6]N[6,6]CC)(N[6]C[6]C)(H){1|N<3>,4|H<1>,5|C<4>}	N[6,6](C[6,6]Ga[6]N[6]H)(Ga[6]C[6,6]CC)(C[6]N[6]HH)(CH3){1|H<1>,1|N<3>,1|N<4>,5|C<4>}	102.0560	0.000	1	102.0560	0.000	1	102.0560	0.000	1	102.0560	0.000	1	102.0560	0.000	1	102.0560	0.000	1
943	466	948	0:SP-NON_SP-NON_SP3	Ga[3x6]	C[6,6]	H[6,6]	4:2:2:4:	4:4:4:4:	4:4:	C[6,6]-4:H[6,6]-2:H[6,6]-2:C-4:	Ga[3x6]-4:Ga[3x6]-4:Si-4:C-4:	Ga[3x6]-4:Ga[3x6]-4:	Ga[3x6](C[6,6]Ga[3x6]SiC)(H[6,6]Ga[3x6])2(CC3)	C[6,6](Ga[3x6]H[6,6]2C)2(SiC[6a]2C)(CC[6a]HH)	H[6,6](Ga[3x6]C[6,6]H[6,6]C)2	Ga[3x6](C[6,6]Ga[3x6]SiC)(H[6,6]Ga[3x6])2(CC3){1|C<4>,2|H<2>}	C[6,6](Ga[3x6]H[6,6]2C)2(SiC[6a]2C)(CC[6a]HH)	H[6,6](Ga[3x6]C[6,6]H[6,6]C)2	104.4954	4.010	8	104.4954	16.079	8	104.4954	16.079	8	104.4954	16.079	8	104.4954	16.079	8	104.4954	16.079	8
943	474	856	0:SP-NON_SP2_SP3	Ga[6]	C[5]	N[6]	3:3:3:4:	4:3:3:4:	4:3:3:	N[6]-3:N[6]-3:As[4]-3:C[5]-4:	Ga[6]-4:C[5]-3:C[5]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(As[4]As[4]2)(C[5]C[5]2C)	C[5](Ga[6]As[4]N[6]2)(C[5]C[5]C)2(CH3)	N[6](Ga[6]As[4]C[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(As[4]As[4]2)(C[5]C[5]2C){1|Ga<4>,4|C<4>,7|C<3>}	C[5](Ga[6]As[4]N[6]2)(C[5]C[5]C)2(CH3){2|As<2>,2|C<4>,4|C<3>}	N[6](Ga[6]As[4]C[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|As<2>,1|H<1>,3|C<4>,6|C<3>}	116.3275	0.158	2	116.3275	0.025	2	116.3275	0.025	2	116.3275	0.025	2	116.3275	0.025	2	116.3275	0.025	2
943	490	490	0:SP-NON_SP3_SP3	Ga[6,6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	N[3x6]-4:O[6,6]-2:C-4:C-4:	Ga[6,6]-4:H-1:H-1:H-1:	Ga[6,6]-4:H-1:H-1:H-1:	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CH3)2	C(Ga[6,6]N[3x6]O[6,6]C)(H)3	C(Ga[6,6]N[3x6]O[6,6]C)(H)3	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CH3)2{1|Ga<4>,2|C<4>,2|H<1>}	C(Ga[6,6]N[3x6]O[6,6]C)(H)3	C(Ga[6,6]N[3x6]O[6,6]C)(H)3	124.5905	0.624	2	124.5905	0.390	2	124.5905	0.390	2	124.5905	0.390	2	122.9325	17.072	6	122.7095	14.159	36
943	490	490	0:SP-NON_SP3_SP3	Ga[6,6]	C	C	4:2:4:4:	4:4:4:1:	4:4:4:1:	N[3x6]-4:O[6,6]-2:C-4:C-4:	Ga[6,6]-4:C-4:C-4:H-1:	Ga[6,6]-4:C-4:C-4:H-1:	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CCCH)2	C(Ga[6,6]N[3x6]O[6,6]C)(CH3)2(H)	C(Ga[6,6]N[3x6]O[6,6]C)(CH3)2(H)	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CCCH)2{1|Ga<4>,2|C<4>,2|H<1>}	C(Ga[6,6]N[3x6]O[6,6]C)(CH3)2(H)	C(Ga[6,6]N[3x6]O[6,6]C)(CH3)2(H)	122.1035	5.057	4	122.1035	25.574	4	122.1035	25.574	4	122.1035	25.574	4	122.9325	17.072	6	122.7095	14.159	36
943	490	490	0:SP-NON_SP3_SP3	Ga[6]	C	C	2:3:4:4:	4:1:1:1:	4:1:1:1:	O[6]-2:N[6]-3:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	Ga[6]-4:H-1:H-1:H-1:	Ga[6](O[6]C[6,6a])(N[6]C[6]C)(CH3)2	C(Ga[6]N[6]O[6]C)(H)3	C(Ga[6]N[6]O[6]C)(H)3	Ga[6](O[6]C[6,6a])(N[6]C[6]C)(CH3)2{1|H<1>,2|C<3>}	C(Ga[6]N[6]O[6]C)(H)3	C(Ga[6]N[6]O[6]C)(H)3	126.1090	0.000	1	126.1090	0.000	1	126.1090	0.000	1	126.1090	0.000	1	122.6649	14.133	30	122.7095	14.159	36
943	490	490	0:SP-NON_SP3_SP3	Ga[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-3:O[6]-2:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	Ga[6]-4:H-1:H-1:H-1:	Ga[6](C[5,6]N[5,6]N[5])(O[6]C[6,6a])(CH3)2	C(Ga[6]C[5,6]O[6]C)(H)3	C(Ga[6]C[5,6]O[6]C)(H)3	Ga[6](C[5,6]N[5,6]N[5])(O[6]C[6,6a])(CH3)2{2|C<4>,3|C<3>}	C(Ga[6]C[5,6]O[6]C)(H)3	C(Ga[6]C[5,6]O[6]C)(H)3	121.4960	0.000	1	121.4960	0.000	1	120.9980	0.496	2	124.0426	10.793	5	122.6649	14.133	30	122.7095	14.159	36
943	490	490	0:SP-NON_SP3_SP3	Ga[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	C[5,6]-3:O[6]-2:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	Ga[6]-4:H-1:H-1:H-1:	Ga[6](C[5,6]N[5,6]N[5])(O[6]C[6])(CH3)2	C(Ga[6]C[5,6]O[6]C)(H)3	C(Ga[6]C[5,6]O[6]C)(H)3	Ga[6](C[5,6]N[5,6]N[5])(O[6]C[6])(CH3)2{1|C<3>,2|H<1>,3|C<4>}	C(Ga[6]C[5,6]O[6]C)(H)3	C(Ga[6]C[5,6]O[6]C)(H)3	120.5000	0.000	1	120.5000	0.000	1	120.9980	0.496	2	124.0426	10.793	5	122.6649	14.133	30	122.7095	14.159	36
943	490	490	0:SP-NON_SP3_SP3	Ga[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[5,6]-3:O[6]-2:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	Ga[6]-4:H-1:H-1:H-1:	Ga[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(CH3)2	C(Ga[6]N[5,6]O[6]C)(H)3	C(Ga[6]N[5,6]O[6]C)(H)3	Ga[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(CH3)2{1|O<2>,4|C<3>}	C(Ga[6]N[5,6]O[6]C)(H)3	C(Ga[6]N[5,6]O[6]C)(H)3	124.0640	0.000	1	124.0640	0.000	1	124.0640	0.000	1	124.0426	10.793	5	122.6649	14.133	30	122.7095	14.159	36
943	490	490	0:SP-NON_SP3_SP3	Ga[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:O[6]-2:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	Ga[6]-4:H-1:H-1:H-1:	Ga[6](N[6]C[5,6]O[6])(O[6]N[6])(CH3)2	C(Ga[6]N[6]O[6]C)(H)3	C(Ga[6]N[6]O[6]C)(H)3	Ga[6](N[6]C[5,6]O[6])(O[6]N[6])(CH3)2{1|Ga<4>,1|C<3>,2|C<4>}	C(Ga[6]N[6]O[6]C)(H)3	C(Ga[6]N[6]O[6]C)(H)3	125.3840	0.000	1	125.3840	0.000	1	127.0765	5.729	2	124.0426	10.793	5	122.6649	14.133	30	122.7095	14.159	36
943	490	490	0:SP-NON_SP3_SP3	Ga[6]	C	C	3:2:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:O[6]-2:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	Ga[6]-4:H-1:H-1:H-1:	Ga[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CH3)2	C(Ga[6]N[6]O[6]C)(H)3	C(Ga[6]N[6]O[6]C)(H)3	Ga[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CH3)2{1|H<1>,4|C<3>}	C(Ga[6]N[6]O[6]C)(H)3	C(Ga[6]N[6]O[6]C)(H)3	128.7690	0.000	1	128.7690	0.000	1	127.0765	5.729	2	124.0426	10.793	5	122.6649	14.133	30	122.7095	14.159	36
943	490	490	0:SP-NON_SP3_SP3	Ga[6]	C	C	3:2:4:4:	4:4:4:4:	4:4:4:4:	C[6]-3:S[6]-2:C-4:C-4:	Ga[6]-4:C-4:C-4:C-4:	Ga[6]-4:C-4:C-4:C-4:	Ga[6](C[6]Ge[6]C)(S[6]C[6])(CC3)2	C(Ga[6]C[6]S[6]C)(CH3)3	C(Ga[6]C[6]S[6]C)(CH3)3	Ga[6](C[6]Ge[6]C)(S[6]C[6])(CC3)2{1|C<2>,3|N<3>}	C(Ga[6]C[6]S[6]C)(CH3)3	C(Ga[6]C[6]S[6]C)(CH3)3	119.5470	0.000	1	119.5470	0.000	1	119.5470	0.000	1	119.5470	0.000	1	122.6649	14.133	30	122.7095	14.159	36
943	490	490	0:SP-NON_SP3_SP3	Ga[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[5,6]-3:N[5,6]-3:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	Ga[6]-4:H-1:H-1:H-1:	Ga[6](N[5,6]C[5,6a]C[5,6])2(CH3)2	C(Ga[6]N[5,6]2C)(H)3	C(Ga[6]N[5,6]2C)(H)3	Ga[6](N[5,6]C[5,6a]C[5,6])2(CH3)2{2|O<2>,5|C<3>}	C(Ga[6]N[5,6]2C)(H)3	C(Ga[6]N[5,6]2C)(H)3	123.0207	1.512	3	123.0207	2.286	3	124.0219	4.532	7	122.3300	8.347	13	122.6649	14.133	30	122.7095	14.159	36
943	490	490	0:SP-NON_SP3_SP3	Ga[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[5,6]-3:N[5,6]-3:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	Ga[6]-4:H-1:H-1:H-1:	Ga[6](N[5,6]C[5,6a]N[5,6])(N[5,6]N[5,6]C[5])(CH3)2	C(Ga[6]N[5,6]2C)(H)3	C(Ga[6]N[5,6]2C)(H)3	Ga[6](N[5,6]C[5,6a]N[5,6])(N[5,6]N[5,6]C[5])(CH3)2{1|Ga<4>,1|H<1>,5|C<3>}	C(Ga[6]N[5,6]2C)(H)3	C(Ga[6]N[5,6]2C)(H)3	125.5115	1.678	2	125.5115	2.816	2	124.0219	4.532	7	122.3300	8.347	13	122.6649	14.133	30	122.7095	14.159	36
943	490	490	0:SP-NON_SP3_SP3	Ga[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[5,6]-3:N[5,6]-3:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	Ga[6]-4:H-1:H-1:H-1:	Ga[6](N[5,6]C[5,6a]N[5,6])2(CH3)2	C(Ga[6]N[5,6]2C)(H)3	C(Ga[6]N[5,6]2C)(H)3	Ga[6](N[5,6]C[5,6a]N[5,6])2(CH3)2{1|Ga<4>,6|C<3>}	C(Ga[6]N[5,6]2C)(H)3	C(Ga[6]N[5,6]2C)(H)3	121.5480	0.000	1	121.5480	0.000	1	124.0219	4.532	7	122.3300	8.347	13	122.6649	14.133	30	122.7095	14.159	36
943	490	490	0:SP-NON_SP3_SP3	Ga[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[5,6]-3:N[5,6]-3:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	Ga[6]-4:H-1:H-1:H-1:	Ga[6](N[5,6]N[5,6]C[5])2(CH3)2	C(Ga[6]N[5,6]2C)(H)3	C(Ga[6]N[5,6]2C)(H)3	Ga[6](N[5,6]N[5,6]C[5])2(CH3)2{1|Ga<4>,2|H<1>,4|C<3>}	C(Ga[6]N[5,6]2C)(H)3	C(Ga[6]N[5,6]2C)(H)3	126.5200	0.000	1	126.5200	0.000	1	124.0219	4.532	7	122.3300	8.347	13	122.6649	14.133	30	122.7095	14.159	36
943	490	490	0:SP-NON_SP3_SP3	Ga[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[6,6]-3:N[6]-3:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	Ga[6]-4:H-1:H-1:H-1:	Ga[6](N[6,6]Ga[4x6]C[6])(N[6]C[6a]C[6])(CH3)2	C(Ga[6]N[6,6]N[6]C)(H)3	C(Ga[6]N[6,6]N[6]C)(H)3	Ga[6](N[6,6]Ga[4x6]C[6])(N[6]C[6a]C[6])(CH3)2{4|C<3>,4|N<3>}	C(Ga[6]N[6,6]N[6]C)(H)3	C(Ga[6]N[6,6]N[6]C)(H)3	118.9245	2.484	2	118.9245	6.171	2	119.1947	3.304	3	122.3300	8.347	13	122.6649	14.133	30	122.7095	14.159	36
943	490	490	0:SP-NON_SP3_SP3	Ga[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[6,6]-3:N[6]-3:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	Ga[6]-4:H-1:H-1:H-1:	Ga[6](N[6,6]Ga[6,6]C[6])(N[6]C[6a]C[6])(CH3)2	C(Ga[6]N[6,6]N[6]C)(H)3	C(Ga[6]N[6,6]N[6]C)(H)3	Ga[6](N[6,6]Ga[6,6]C[6])(N[6]C[6a]C[6])(CH3)2{1|C<4>,1|N<2>,1|N<3>,1|O<3>,4|C<3>}	C(Ga[6]N[6,6]N[6]C)(H)3	C(Ga[6]N[6,6]N[6]C)(H)3	119.7350	0.000	1	119.7350	0.000	1	119.1947	3.304	3	122.3300	8.347	13	122.6649	14.133	30	122.7095	14.159	36
943	490	490	0:SP-NON_SP3_SP3	Ga[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	N[6]-3:N[6]-3:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	Ga[6]-4:H-1:H-1:H-1:	Ga[6](N[6]C[6a]C[6])2(CH3)2	C(Ga[6]N[6]2C)(H)3	C(Ga[6]N[6]2C)(H)3	Ga[6](N[6]C[6a]C[6])2(CH3)2{2|C<4>,5|C<3>}	C(Ga[6]N[6]2C)(H)3	C(Ga[6]N[6]2C)(H)3	120.4455	2.822	2	120.4455	7.964	2	120.4455	7.964	2	122.3300	8.347	13	122.6649	14.133	30	122.7095	14.159	36
943	490	490	0:SP-NON_SP3_SP3	Ga[6]	C	C	3:3:4:4:	4:1:1:1:	4:1:1:1:	O[6,6]-3:N[6]-3:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	Ga[6]-4:H-1:H-1:H-1:	Ga[6](O[6,6]Ga[6,6]2)(N[6]C[6a]C[6])(CH3)2	C(Ga[6]O[6,6]N[6]C)(H)3	C(Ga[6]O[6,6]N[6]C)(H)3	Ga[6](O[6,6]Ga[6,6]2)(N[6]C[6a]C[6])(CH3)2{2|C<4>,2|N<2>,2|N<3>,3|C<3>}	C(Ga[6]O[6,6]N[6]C)(H)3	C(Ga[6]O[6,6]N[6]C)(H)3	123.6620	0.000	1	123.6620	0.000	1	123.6620	0.000	1	122.3300	8.347	13	122.6649	14.133	30	122.7095	14.159	36
943	490	490	0:SP-NON_SP3_SP3	Ga[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	N[6]-3:N[6]-3:C-4:C-4:	Ga[6]-4:C-4:H-1:H-1:	Ga[6]-4:C-4:H-1:H-1:	Ga[6](N[6]C[6a]C[6])2(CCHH)2	C(Ga[6]N[6]2C)(CH3)(H)2	C(Ga[6]N[6]2C)(CH3)(H)2	Ga[6](N[6]C[6a]C[6])2(CCHH)2{2|C<4>,5|C<3>}	C(Ga[6]N[6]2C)(CH3)(H)2	C(Ga[6]N[6]2C)(CH3)(H)2	117.7680	0.000	1	117.7680	0.000	1	117.7680	0.000	1	125.7915	31.225	4	122.6649	14.133	30	122.7095	14.159	36
943	490	490	0:SP-NON_SP3_SP3	Ga[6]	C	C	3:3:4:4:	4:4:1:1:	4:4:1:1:	N[6]-3:N[6]-3:C-4:C-4:	Ga[6]-4:Si-4:H-1:H-1:	Ga[6]-4:Si-4:H-1:H-1:	Ga[6](N[6]Ga[6]N)2(CSiHH)2	C(Ga[6]N[6]2C)(SiC3)(H)2	C(Ga[6]N[6]2C)(SiC3)(H)2	Ga[6](N[6]Ga[6]N)2(CSiHH)2{1|N<3>,4|C<4>}	C(Ga[6]N[6]2C)(SiC3)(H)2	C(Ga[6]N[6]2C)(SiC3)(H)2	128.4660	1.980	3	128.4660	3.920	3	128.4660	3.920	3	125.7915	31.225	4	122.6649	14.133	30	122.7095	14.159	36
943	490	490	0:SP-NON_SP3_SP3	Ga[6]	C	C	3:3:4:4:	4:4:4:4:	4:4:4:4:	C[6]-3:N[6]-3:C-4:C-4:	Ga[6]-4:C-4:C-4:C-4:	Ga[6]-4:C-4:C-4:C-4:	Ga[6](C[6]N[6]H)(N[6]C[6]C)(CC3)2	C(Ga[6]C[6]N[6]C)(CH3)3	C(Ga[6]C[6]N[6]C)(CH3)3	Ga[6](C[6]N[6]H)(N[6]C[6]C)(CC3)2{1|Ga<4>,1|C<4>,1|H<1>}	C(Ga[6]C[6]N[6]C)(CH3)3	C(Ga[6]C[6]N[6]C)(CH3)3	121.6280	0.000	1	121.6280	0.000	1	121.6280	0.000	1	121.6280	0.000	1	122.6649	14.133	30	122.7095	14.159	36
943	490	490	0:SP-NON_SP3_SP3	Ga[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	N[6]-4:O[6]-2:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	Ga[6]-4:H-1:H-1:H-1:	Ga[6](N[6]C[6]CH)(O[6]C[6])(CH3)2	C(Ga[6]N[6]O[6]C)(H)3	C(Ga[6]N[6]O[6]C)(H)3	Ga[6](N[6]C[6]CH)(O[6]C[6])(CH3)2{1|C<4>,4|H<1>}	C(Ga[6]N[6]O[6]C)(H)3	C(Ga[6]N[6]O[6]C)(H)3	121.8280	0.000	1	121.8280	0.000	1	122.0105	0.067	2	122.0105	0.067	2	122.6649	14.133	30	122.7095	14.159	36
943	490	490	0:SP-NON_SP3_SP3	Ga[6]	C	C	4:2:4:4:	4:1:1:1:	4:1:1:1:	N[6]-4:O[6]-2:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	Ga[6]-4:H-1:H-1:H-1:	Ga[6](N[6]O[6]CC)(O[6]N[6])(CH3)2	C(Ga[6]N[6]O[6]C)(H)3	C(Ga[6]N[6]O[6]C)(H)3	Ga[6](N[6]O[6]CC)(O[6]N[6])(CH3)2{1|Ga<4>,2|C<4>}	C(Ga[6]N[6]O[6]C)(H)3	C(Ga[6]N[6]O[6]C)(H)3	122.1930	0.000	1	122.1930	0.000	1	122.0105	0.067	2	122.0105	0.067	2	122.6649	14.133	30	122.7095	14.159	36
943	490	490	0:SP-NON_SP3_SP3	Ga[6]	C	C	4:2:4:4:	4:4:4:4:	4:4:4:4:	N[6]-4:O[6]-2:C-4:C-4:	Ga[6]-4:C-4:C-4:C-4:	Ga[6]-4:C-4:C-4:C-4:	Ga[6](N[6]C[6]CH)(O[6]C[6])(CC3)2	C(Ga[6]N[6]O[6]C)(CH3)3	C(Ga[6]N[6]O[6]C)(CH3)3	Ga[6](N[6]C[6]CH)(O[6]C[6])(CC3)2{1|C<4>,4|H<1>}	C(Ga[6]N[6]O[6]C)(CH3)3	C(Ga[6]N[6]O[6]C)(CH3)3	122.0000	0.000	1	122.0000	0.000	1	120.9170	2.346	2	120.9170	2.346	2	122.6649	14.133	30	122.7095	14.159	36
943	490	490	0:SP-NON_SP3_SP3	Ga[6]	C	C	4:2:4:4:	4:4:4:4:	4:4:4:4:	N[6]-4:O[6]-2:C-4:C-4:	Ga[6]-4:C-4:C-4:C-4:	Ga[6]-4:C-4:C-4:C-4:	Ga[6](N[6]C[6]CO)(O[6]N[6])(CC3)2	C(Ga[6]N[6]O[6]C)(CH3)3	C(Ga[6]N[6]O[6]C)(CH3)3	Ga[6](N[6]C[6]CO)(O[6]N[6])(CC3)2{2|C<4>,2|H<1>}	C(Ga[6]N[6]O[6]C)(CH3)3	C(Ga[6]N[6]O[6]C)(CH3)3	119.8340	0.000	1	119.8340	0.000	1	120.9170	2.346	2	120.9170	2.346	2	122.6649	14.133	30	122.7095	14.159	36
943	490	490	0:SP-NON_SP3_SP3	Ga[6]	C	C	4:4:4:4:	4:4:1:1:	4:4:1:1:	C[6,6]-4:N[6,6]-4:C-4:C-4:	Ga[6]-4:C-4:H-1:H-1:	Ga[6]-4:C-4:H-1:H-1:	Ga[6](C[6,6]N[6,6]N[6]H)(N[6,6]C[6,6]C[6]C)(CCHH)2	C(Ga[6]C[6,6]N[6,6]C)(CH3)(H)2	C(Ga[6]C[6,6]N[6,6]C)(CH3)(H)2	Ga[6](C[6,6]N[6,6]N[6]H)(N[6,6]C[6,6]C[6]C)(CCHH)2{1|Ga<4>,2|N<3>,3|H<1>,4|C<4>}	C(Ga[6]C[6,6]N[6,6]C)(CH3)(H)2	C(Ga[6]C[6,6]N[6,6]C)(CH3)(H)2	113.1390	0.000	1	113.1390	0.000	1	113.1390	0.000	1	113.1390	0.000	1	122.6649	14.133	30	122.7095	14.159	36
943	490	542	0:SP-NON_SP2_SP3	Ga[6]	C	N[5,6]	3:2:4:4:	4:1:1:1:	3:3:4:	N[5,6]-3:O[6]-2:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-3:Ga[6]-4:	Ga[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(CH3)2	C(Ga[6]N[5,6]O[6]C)(H)3	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(Ga[6]O[6]CC)	Ga[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(CH3)2{1|O<2>,4|C<3>}	C(Ga[6]N[5,6]O[6]C)(H)3	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(Ga[6]O[6]CC){1|H<1>,4|C<3>}	107.9655	3.400	2	107.9655	11.563	2	107.9655	11.563	2	107.9655	11.563	2	108.4003	4.711	30	108.4003	4.711	30
943	490	542	0:SP-NON_SP2_SP3	Ga[6]	C	N[5,6]	3:3:4:4:	4:1:1:1:	3:3:4:	N[5,6]-3:N[5,6]-3:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-3:Ga[6]-4:	Ga[6](N[5,6]C[5,6a]C[5,6])2(CH3)2	C(Ga[6]N[5,6]2C)(H)3	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(Ga[6]N[5,6]CC)	Ga[6](N[5,6]C[5,6a]C[5,6])2(CH3)2{2|O<2>,5|C<3>}	C(Ga[6]N[5,6]2C)(H)3	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(Ga[6]N[5,6]CC){1|C<4>,1|H<1>,4|C<3>}	108.9158	0.528	4	109.6328	2.765	12	109.6328	2.765	12	109.1629	2.406	20	108.4003	4.711	30	108.4003	4.711	30
943	490	542	0:SP-NON_SP2_SP3	Ga[6]	C	N[5,6]	3:3:4:4:	4:1:1:1:	3:3:4:	N[5,6]-3:N[5,6]-3:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	C[5,6a]-3:C[5,6]-3:Ga[6]-4:	Ga[6](N[5,6]C[5,6a]C[5,6])2(CH3)2	C(Ga[6]N[5,6]2C)(H)3	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(Ga[6]N[5,6]CC)	Ga[6](N[5,6]C[5,6a]C[5,6])2(CH3)2{2|O<2>,5|C<3>}	C(Ga[6]N[5,6]2C)(H)3	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(Ga[6]N[5,6]CC){2|H<1>,4|C<3>}	109.9912	1.946	8	109.6328	2.765	12	109.6328	2.765	12	109.1629	2.406	20	108.4003	4.711	30	108.4003	4.711	30
943	490	542	0:SP-NON_SP2_SP3	Ga[6]	C	N[5,6]	3:3:4:4:	4:1:1:1:	3:3:4:	N[5,6]-3:N[5,6]-3:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5,6]-3:Ga[6]-4:	Ga[6](N[5,6]C[5,6a]N[5,6])(N[5,6]N[5,6]C[5])(CH3)2	C(Ga[6]N[5,6]2C)(H)3	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]Ga[6]C[5])(Ga[6]N[5,6]CC)	Ga[6](N[5,6]C[5,6a]N[5,6])(N[5,6]N[5,6]C[5])(CH3)2{1|Ga<4>,1|H<1>,5|C<3>}	C(Ga[6]N[5,6]2C)(H)3	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]Ga[6]C[5])(Ga[6]N[5,6]CC){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	108.4737	0.673	4	108.4737	0.452	4	108.4582	1.241	8	109.1629	2.406	20	108.4003	4.711	30	108.4003	4.711	30
943	490	542	0:SP-NON_SP2_SP3	Ga[6]	C	N[5,6]	3:3:4:4:	4:1:1:1:	3:3:4:	N[5,6]-3:N[5,6]-3:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	C[5,6a]-3:N[5,6]-3:Ga[6]-4:	Ga[6](N[5,6]C[5,6a]N[5,6])2(CH3)2	C(Ga[6]N[5,6]2C)(H)3	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]Ga[6]C[5])(Ga[6]N[5,6]CC)	Ga[6](N[5,6]C[5,6a]N[5,6])2(CH3)2{1|Ga<4>,6|C<3>}	C(Ga[6]N[5,6]2C)(H)3	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]Ga[6]C[5])(Ga[6]N[5,6]CC){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	108.4428	1.563	4	108.4428	2.442	4	108.4582	1.241	8	109.1629	2.406	20	108.4003	4.711	30	108.4003	4.711	30
943	490	542	0:SP-NON_SP2_SP3	Ga[6]	C	N[5,6]	3:3:4:4:	4:1:1:1:	3:4:3:	N[5,6]-3:N[5,6]-3:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	N[5,6]-3:Ga[6]-4:C[5]-3:	Ga[6](N[5,6]C[5,6a]N[5,6])(N[5,6]N[5,6]C[5])(CH3)2	C(Ga[6]N[5,6]2C)(H)3	N[5,6](N[5,6]C[5,6a]Ga[6])(Ga[6]N[5,6]CC)(C[5]C[5,6a]H)	Ga[6](N[5,6]C[5,6a]N[5,6])(N[5,6]N[5,6]C[5])(CH3)2{1|Ga<4>,1|H<1>,5|C<3>}	C(Ga[6]N[5,6]2C)(H)3	N[5,6](N[5,6]C[5,6a]Ga[6])(Ga[6]N[5,6]CC)(C[5]C[5,6a]H){1|N<3>,2|C<4>,3|C<3>}	105.8835	2.323	4	105.8835	5.397	4	106.6024	5.925	8	106.6024	5.925	8	108.4003	4.711	30	108.4003	4.711	30
943	490	542	0:SP-NON_SP2_SP3	Ga[6]	C	N[5,6]	3:3:4:4:	4:1:1:1:	3:4:3:	N[5,6]-3:N[5,6]-3:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	N[5,6]-3:Ga[6]-4:C[5]-3:	Ga[6](N[5,6]N[5,6]C[5])2(CH3)2	C(Ga[6]N[5,6]2C)(H)3	N[5,6](N[5,6]C[5,6a]Ga[6])(Ga[6]N[5,6]CC)(C[5]C[5,6a]H)	Ga[6](N[5,6]N[5,6]C[5])2(CH3)2{1|Ga<4>,2|H<1>,4|C<3>}	C(Ga[6]N[5,6]2C)(H)3	N[5,6](N[5,6]C[5,6a]Ga[6])(Ga[6]N[5,6]CC)(C[5]C[5,6a]H){1|N<3>,2|C<4>,3|C<3>}	107.3213	2.655	4	107.3213	7.050	4	106.6024	5.925	8	106.6024	5.925	8	108.4003	4.711	30	108.4003	4.711	30
943	490	622	0:SP-NON_SP2_SP3	Ga[6]	C	O[6]	2:3:4:4:	4:1:1:1:	3:4:	O[6]-2:N[6]-3:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	C[6,6a]-3:Ga[6]-4:	Ga[6](O[6]C[6,6a])(N[6]C[6]C)(CH3)2	C(Ga[6]N[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[6]CC)	Ga[6](O[6]C[6,6a])(N[6]C[6]C)(CH3)2{1|H<1>,2|C<3>}	C(Ga[6]N[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[6]CC){1|Cl<1>,1|C<4>,3|C<3>}	109.1465	0.042	2	109.1465	0.002	2	109.1465	0.002	2	109.1465	0.002	2	109.0620	2.332	8	109.0620	2.332	8
943	490	622	0:SP-NON_SP2_SP3	Ga[6]	C	O[6]	3:2:4:4:	4:1:1:1:	3:4:	C[5,6]-3:O[6]-2:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	C[6,6a]-3:Ga[6]-4:	Ga[6](C[5,6]N[5,6]N[5])(O[6]C[6,6a])(CH3)2	C(Ga[6]C[5,6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]C[5,6]CC)	Ga[6](C[5,6]N[5,6]N[5])(O[6]C[6,6a])(CH3)2{2|C<4>,3|C<3>}	C(Ga[6]C[5,6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]C[5,6]CC){1|H<1>,2|C<3>,2|N<3>}	108.2670	2.517	2	108.2670	6.337	2	108.2670	6.337	2	109.0338	3.260	6	109.0620	2.332	8	109.0620	2.332	8
943	490	622	0:SP-NON_SP2_SP3	Ga[6]	C	O[6]	3:2:4:4:	4:1:1:1:	3:4:	N[5,6]-3:O[6]-2:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	C[6,6a]-3:Ga[6]-4:	Ga[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(CH3)2	C(Ga[6]N[5,6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[5,6]CC)	Ga[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(CH3)2{1|O<2>,4|C<3>}	C(Ga[6]N[5,6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[5,6]CC){1|H<1>,4|C<3>}	110.6250	1.223	2	110.6250	1.496	2	110.6250	1.496	2	109.0338	3.260	6	109.0620	2.332	8	109.0620	2.332	8
943	490	622	0:SP-NON_SP2_SP3	Ga[6]	C	O[6]	3:2:4:4:	4:1:1:1:	3:4:	N[6]-3:O[6]-2:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	C[6,6a]-3:Ga[6]-4:	Ga[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CH3)2	C(Ga[6]N[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[6]CC)	Ga[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CH3)2{1|H<1>,4|C<3>}	C(Ga[6]N[6]O[6]C)(H)3	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[6]CC){5|C<3>}	108.2095	0.933	2	108.2095	0.870	2	108.2095	0.870	2	109.0338	3.260	6	109.0620	2.332	8	109.0620	2.332	8
943	490	622	0:SP-NON_SP3_SP3	Ga[6,6]	C	O[6,6]	4:2:4:4:	4:1:1:1:	4:4:	N[3x6]-4:O[6,6]-2:C-4:C-4:	Ga[6,6]-4:H-1:H-1:H-1:	N[3x6]-4:Ga[6,6]-4:	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CH3)2	C(Ga[6,6]N[3x6]O[6,6]C)(H)3	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC)	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CH3)2{1|Ga<4>,2|C<4>,2|H<1>}	C(Ga[6,6]N[3x6]O[6,6]C)(H)3	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC){1|O<2>,2|H<1>,4|C<4>}	108.2193	2.873	4	108.2193	8.251	4	108.2193	8.251	4	108.2193	8.251	4	107.9287	5.575	12	108.7796	12.209	24
943	490	622	0:SP-NON_SP3_SP3	Ga[6,6]	C	O[6,6]	4:2:4:4:	4:4:4:1:	4:4:	N[3x6]-4:O[6,6]-2:C-4:C-4:	Ga[6,6]-4:C-4:C-4:H-1:	N[3x6]-4:Ga[6,6]-4:	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CCCH)2	C(Ga[6,6]N[3x6]O[6,6]C)(CH3)2(H)	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC)	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CCCH)2{1|Ga<4>,2|C<4>,2|H<1>}	C(Ga[6,6]N[3x6]O[6,6]C)(CH3)2(H)	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC){1|O<2>,2|H<1>,4|C<4>}	107.7835	2.270	8	107.7835	5.152	8	107.7835	5.152	8	107.7835	5.152	8	107.9287	5.575	12	108.7796	12.209	24
943	490	622	0:SP-NON_SP3_SP3	Ga[6]	C	O[6]	3:2:4:4:	4:1:1:1:	3:4:	N[6]-3:O[6]-2:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	N[6]-3:Ga[6]-4:	Ga[6](N[6]C[5,6]O[6])(O[6]N[6])(CH3)2	C(Ga[6]N[6]O[6]C)(H)3	O[6](N[6]C[5,6]Ga[6])(Ga[6]N[6]CC)	Ga[6](N[6]C[5,6]O[6])(O[6]N[6])(CH3)2{1|Ga<4>,1|C<3>,2|C<4>}	C(Ga[6]N[6]O[6]C)(H)3	O[6](N[6]C[5,6]Ga[6])(Ga[6]N[6]CC){1|C<3>,1|O<2>,4|C<4>}	107.5745	6.195	2	107.5745	38.378	2	107.5745	38.378	2	107.5745	38.378	2	109.6304	18.373	12	108.7796	12.209	24
943	490	622	0:SP-NON_SP3_SP3	Ga[6]	C	O[6]	3:2:4:4:	4:1:1:1:	4:4:	C[5,6]-3:O[6]-2:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	Ga[6]-4:C[6]-4:	Ga[6](C[5,6]N[5,6]N[5])(O[6]C[6])(CH3)2	C(Ga[6]C[5,6]O[6]C)(H)3	O[6](Ga[6]C[5,6]CC)(C[6]C[6]HH)	Ga[6](C[5,6]N[5,6]N[5])(O[6]C[6])(CH3)2{1|C<3>,2|H<1>,3|C<4>}	C(Ga[6]C[5,6]O[6]C)(H)3	O[6](Ga[6]C[5,6]CC)(C[6]C[6]HH){2|H<1>,2|N<3>}	109.0470	1.119	2	109.0470	1.251	2	109.0470	1.251	2	109.0470	1.251	2	109.6304	18.373	12	108.7796	12.209	24
943	490	622	0:SP-NON_SP3_SP3	Ga[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	N[6]-4:O[6]-2:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	Ga[6]-4:C[6]-4:	Ga[6](N[6]C[6]CH)(O[6]C[6])(CH3)2	C(Ga[6]N[6]O[6]C)(H)3	O[6](Ga[6]N[6]CC)(C[6]C[6]HH)	Ga[6](N[6]C[6]CH)(O[6]C[6])(CH3)2{1|C<4>,4|H<1>}	C(Ga[6]N[6]O[6]C)(H)3	O[6](Ga[6]N[6]CC)(C[6]C[6]HH){2|C<4>,3|H<1>}	111.2175	1.743	2	111.2175	3.038	2	111.2175	3.038	2	110.8393	45.975	4	109.6304	18.373	12	108.7796	12.209	24
943	490	622	0:SP-NON_SP3_SP3	Ga[6]	C	O[6]	4:2:4:4:	4:1:1:1:	4:4:	N[6]-4:O[6]-2:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	Ga[6]-4:N[6]-4:	Ga[6](N[6]O[6]CC)(O[6]N[6])(CH3)2	C(Ga[6]N[6]O[6]C)(H)3	O[6](Ga[6]N[6]CC)(N[6]Ga[6]CC)	Ga[6](N[6]O[6]CC)(O[6]N[6])(CH3)2{1|Ga<4>,2|C<4>}	C(Ga[6]N[6]O[6]C)(H)3	O[6](Ga[6]N[6]CC)(N[6]Ga[6]CC){1|O<2>,4|C<4>}	110.4610	11.589	2	110.4610	134.316	2	110.4610	134.316	2	110.8393	45.975	4	109.6304	18.373	12	108.7796	12.209	24
943	490	622	0:SP-NON_SP3_SP3	Ga[6]	C	O[6]	4:2:4:4:	4:4:4:4:	4:3:	N[6]-4:O[6]-2:C-4:C-4:	Ga[6]-4:C-4:C-4:C-4:	Ga[6]-4:N[6]-3:	Ga[6](N[6]C[6]CO)(O[6]N[6])(CC3)2	C(Ga[6]N[6]O[6]C)(CH3)3	O[6](Ga[6]N[6]CC)(N[6]C[6]C)	Ga[6](N[6]C[6]CO)(O[6]N[6])(CC3)2{2|C<4>,2|H<1>}	C(Ga[6]N[6]O[6]C)(CH3)3	O[6](Ga[6]N[6]CC)(N[6]C[6]C){1|O<2>,2|C<4>,2|H<1>}	110.0410	1.191	2	110.0410	1.418	2	110.0410	1.418	2	110.0410	1.418	2	109.6304	18.373	12	108.7796	12.209	24
943	490	622	0:SP-NON_SP3_SP3	Ga[6]	C	O[6]	4:2:4:4:	4:4:4:4:	4:4:	N[6]-4:O[6]-2:C-4:C-4:	Ga[6]-4:C-4:C-4:C-4:	Ga[6]-4:C[6]-4:	Ga[6](N[6]C[6]CH)(O[6]C[6])(CC3)2	C(Ga[6]N[6]O[6]C)(CH3)3	O[6](Ga[6]N[6]CC)(C[6]C[6]HH)	Ga[6](N[6]C[6]CH)(O[6]C[6])(CC3)2{1|C<4>,4|H<1>}	C(Ga[6]N[6]O[6]C)(CH3)3	O[6](Ga[6]N[6]CC)(C[6]C[6]HH){2|C<4>,3|H<1>}	109.4415	2.782	2	109.4415	7.742	2	109.4415	7.742	2	109.4415	7.742	2	109.6304	18.373	12	108.7796	12.209	24
943	490	643	0:SP-NON_SP2_SP3	Ga[6]	C	C[6a]	3:3:3:4:	4:3:2:1:	4:3:3:	N[6]-3:N[6]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:O-2:H-1:	Ga[6]-4:C[6a]-3:C[6a]-3:	Ga[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(CC[6a]HO)	C(Ga[6]C[6a]N[6]2)(C[6a]C[6a]2)(OB)(H)	C[6a](Ga[6]N[6]2C)(C[6a]C[6a]F)2	Ga[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(CC[6a]HO){2|C<4>,2|F<1>,7|C<3>}	C(Ga[6]C[6a]N[6]2)(C[6a]C[6a]2)(OB)(H)	C[6a](Ga[6]N[6]2C)(C[6a]C[6a]F)2{2|F<1>,5|C<3>}	120.1660	0.000	1	120.1660	0.000	1	120.1660	0.000	1	120.1660	0.000	1	120.1660	0.000	1	120.1660	0.000	1
943	490	762	0:SP-NON_SP2_SP3	Ga[6]	C	C[6]	3:2:4:4:	4:4:4:4:	4:4:3:	C[6]-3:S[6]-2:C-4:C-4:	Ga[6]-4:C-4:C-4:C-4:	Ga[6]-4:Ge[6]-4:C-3:	Ga[6](C[6]Ge[6]C)(S[6]C[6])(CC3)2	C(Ga[6]C[6]S[6]C)(CH3)3	C[6](Ga[6]S[6]CC)(Ge[6]N[6]CN)(CCH)	Ga[6](C[6]Ge[6]C)(S[6]C[6])(CC3)2{1|C<2>,3|N<3>}	C(Ga[6]C[6]S[6]C)(CH3)3	C[6](Ga[6]S[6]CC)(Ge[6]N[6]CN)(CCH){2|C<3>}	114.3115	1.551	2	114.3115	2.405	2	114.3115	2.405	2	114.3115	2.405	2	110.9140	16.454	4	110.9140	16.454	4
943	490	762	0:SP-NON_SP2_SP3	Ga[6]	C	C[6]	3:3:4:4:	4:4:4:4:	4:3:1:	C[6]-3:N[6]-3:C-4:C-4:	Ga[6]-4:C-4:C-4:C-4:	Ga[6]-4:N[6]-3:H-1:	Ga[6](C[6]N[6]H)(N[6]C[6]C)(CC3)2	C(Ga[6]C[6]N[6]C)(CH3)3	C[6](Ga[6]N[6]CC)(N[6]Ga[6]C)(H)	Ga[6](C[6]N[6]H)(N[6]C[6]C)(CC3)2{1|Ga<4>,1|C<4>,1|H<1>}	C(Ga[6]C[6]N[6]C)(CH3)3	C[6](Ga[6]N[6]CC)(N[6]Ga[6]C)(H){1|C<3>,3|C<4>}	107.5165	0.886	2	107.5165	0.785	2	107.5165	0.785	2	107.5165	0.785	2	110.9140	16.454	4	110.9140	16.454	4
943	490	790	0:SP-NON_SP-NON_SP3	Ga[6]	C	Cl	2:2:4:1:	4:1:1:1:	4:	S[6]-2:S[6]-2:C-4:Cl-1:	Ga[6]-4:H-1:H-1:H-1:	Ga[6]-4:	Ga[6](S[6]P[6])2(CH3)(Cl)	C(Ga[6]S[6]2Cl)(H)3	Cl(Ga[6]S[6]2C)	Ga[6](S[6]P[6])2(CH3)(Cl){1|N<2>,4|C<3>}	C(Ga[6]S[6]2Cl)(H)3	Cl(Ga[6]S[6]2C)	115.7010	0.000	1	115.7010	0.000	1	115.7010	0.000	1	115.7010	0.000	1	112.6305	18.856	2	112.6305	18.856	2
943	490	790	0:SP-NON_SP-NON_SP3	Ga[6]	C	Cl	3:3:4:1:	4:4:4:4:	4:	N[6]-3:N[6]-3:C-4:Cl-1:	Ga[6]-4:C-4:C-4:C-4:	Ga[6]-4:	Ga[6](N[6]C[6a]C[6])2(CC3)(Cl)	C(Ga[6]N[6]2Cl)(CH3)3	Cl(Ga[6]N[6]2C)	Ga[6](N[6]C[6a]C[6])2(CC3)(Cl){2|C<4>,5|C<3>}	C(Ga[6]N[6]2Cl)(CH3)3	Cl(Ga[6]N[6]2C)	109.5600	0.000	1	109.5600	0.000	1	109.5600	0.000	1	109.5600	0.000	1	112.6305	18.856	2	112.6305	18.856	2
943	490	818	0:SP-NON_SP2_SP3	Ga[6]	C	C[5,6]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6]-3:O[6]-2:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	N[5,6]-3:N[5]-3:Ga[6]-4:	Ga[6](C[5,6]N[5,6]N[5])(O[6]C[6,6a])(CH3)2	C(Ga[6]C[5,6]O[6]C)(H)3	C[5,6](N[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])(Ga[6]O[6]CC)	Ga[6](C[5,6]N[5,6]N[5])(O[6]C[6,6a])(CH3)2{2|C<4>,3|C<3>}	C(Ga[6]C[5,6]O[6]C)(H)3	C[5,6](N[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])(Ga[6]O[6]CC){4|C<3>,4|H<1>}	112.5590	2.498	2	112.5590	6.238	2	111.7862	2.876	4	111.7862	2.876	4	111.7862	2.876	4	111.7862	2.876	4
943	490	818	0:SP-NON_SP2_SP3	Ga[6]	C	C[5,6]	3:2:4:4:	4:1:1:1:	3:3:4:	C[5,6]-3:O[6]-2:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	N[5,6]-3:N[5]-3:Ga[6]-4:	Ga[6](C[5,6]N[5,6]N[5])(O[6]C[6])(CH3)2	C(Ga[6]C[5,6]O[6]C)(H)3	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(Ga[6]O[6]CC)	Ga[6](C[5,6]N[5,6]N[5])(O[6]C[6])(CH3)2{1|C<3>,2|H<1>,3|C<4>}	C(Ga[6]C[5,6]O[6]C)(H)3	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(Ga[6]O[6]CC){1|C<4>,2|C<3>,6|H<1>}	111.0135	0.021	2	111.0135	0.000	2	111.7862	2.876	4	111.7862	2.876	4	111.7862	2.876	4	111.7862	2.876	4
943	490	854	0:SP-NON_SP3_SP3	Ga[6,6]	C	N[3x6]	4:2:4:4:	4:1:1:1:	4:4:2:4:	N[3x6]-4:O[6,6]-2:C-4:C-4:	Ga[6,6]-4:H-1:H-1:H-1:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CH3)2	C(Ga[6,6]N[3x6]O[6,6]C)(H)3	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3)	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CH3)2{1|Ga<4>,2|C<4>,2|H<1>}	C(Ga[6,6]N[3x6]O[6,6]C)(H)3	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3){1|N<4>,2|C<4>,2|H<1>}	110.4830	0.742	2	110.4830	0.551	2	108.9597	7.383	4	108.9597	7.383	4	110.4271	12.257	12	109.1549	10.972	22
943	490	854	0:SP-NON_SP3_SP3	Ga[6,6]	C	N[3x6]	4:2:4:4:	4:1:1:1:	4:4:2:4:	N[3x6]-4:O[6,6]-2:C-4:C-4:	Ga[6,6]-4:H-1:H-1:H-1:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CH3)2	C(Ga[6,6]N[3x6]O[6,6]C)(H)3	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CH3)	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CH3)2{1|Ga<4>,2|C<4>,2|H<1>}	C(Ga[6,6]N[3x6]O[6,6]C)(H)3	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CH3){1|N<4>,2|C<4>,2|H<1>}	107.4365	3.509	2	107.4365	12.316	2	108.9597	7.383	4	108.9597	7.383	4	110.4271	12.257	12	109.1549	10.972	22
943	490	854	0:SP-NON_SP3_SP3	Ga[6,6]	C	N[3x6]	4:2:4:4:	4:4:4:1:	4:4:2:4:	N[3x6]-4:O[6,6]-2:C-4:C-4:	Ga[6,6]-4:C-4:C-4:H-1:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CCCH)2	C(Ga[6,6]N[3x6]O[6,6]C)(CH3)2(H)	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3)	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CCCH)2{1|Ga<4>,2|C<4>,2|H<1>}	C(Ga[6,6]N[3x6]O[6,6]C)(CH3)2(H)	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3){1|N<4>,2|C<4>,2|H<1>}	114.1197	1.935	4	114.1197	3.746	4	111.1607	14.252	8	111.1607	14.252	8	110.4271	12.257	12	109.1549	10.972	22
943	490	854	0:SP-NON_SP3_SP3	Ga[6,6]	C	N[3x6]	4:2:4:4:	4:4:4:1:	4:4:2:4:	N[3x6]-4:O[6,6]-2:C-4:C-4:	Ga[6,6]-4:C-4:C-4:H-1:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CCCH)2	C(Ga[6,6]N[3x6]O[6,6]C)(CH3)2(H)	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CH3)	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CCCH)2{1|Ga<4>,2|C<4>,2|H<1>}	C(Ga[6,6]N[3x6]O[6,6]C)(CH3)2(H)	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CH3){1|N<4>,2|C<4>,2|H<1>}	108.2018	2.482	4	108.2018	6.160	4	111.1607	14.252	8	111.1607	14.252	8	110.4271	12.257	12	109.1549	10.972	22
943	490	854	0:SP-NON_SP3_SP3	Ga[6]	C	N[6,6]	4:4:4:4:	4:4:1:1:	4:4:4:4:	C[6,6]-4:N[6,6]-4:C-4:C-4:	Ga[6]-4:C-4:H-1:H-1:	C[6,6]-4:Ga[6]-4:C[6]-4:C-4:	Ga[6](C[6,6]N[6,6]N[6]H)(N[6,6]C[6,6]C[6]C)(CCHH)2	C(Ga[6]C[6,6]N[6,6]C)(CH3)(H)2	N[6,6](C[6,6]Ga[6]N[6]H)(Ga[6]C[6,6]CC)(C[6]N[6]HH)(CH3)	Ga[6](C[6,6]N[6,6]N[6]H)(N[6,6]C[6,6]C[6]C)(CCHH)2{1|Ga<4>,2|N<3>,3|H<1>,4|C<4>}	C(Ga[6]C[6,6]N[6,6]C)(CH3)(H)2	N[6,6](C[6,6]Ga[6]N[6]H)(Ga[6]C[6,6]CC)(C[6]N[6]HH)(CH3){1|H<1>,1|N<3>,1|N<4>,5|C<4>}	105.1555	0.555	2	105.1555	0.308	2	105.1555	0.308	2	105.1555	0.308	2	105.1555	0.308	2	109.1549	10.972	22
943	490	854	0:SP-NON_SP3_SP3	Ga[6]	C	N[6]	4:2:4:4:	4:1:1:1:	4:2:4:4:	N[6]-4:O[6]-2:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	Ga[6]-4:O[6]-2:C-4:C-4:	Ga[6](N[6]O[6]CC)(O[6]N[6])(CH3)2	C(Ga[6]N[6]O[6]C)(H)3	N[6](Ga[6]O[6]CC)(O[6]Ga[6])(CH3)2	Ga[6](N[6]O[6]CC)(O[6]N[6])(CH3)2{1|Ga<4>,2|C<4>}	C(Ga[6]N[6]O[6]C)(H)3	N[6](Ga[6]O[6]CC)(O[6]Ga[6])(CH3)2{1|N<4>,2|C<4>}	106.4000	1.680	2	106.4000	2.823	2	106.4000	2.823	2	106.4000	2.823	2	108.2465	5.324	8	109.1549	10.972	22
943	490	854	0:SP-NON_SP3_SP3	Ga[6]	C	N[6]	4:2:4:4:	4:1:1:1:	4:4:4:1:	N[6]-4:O[6]-2:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	Ga[6]-4:C[6]-4:C-4:H-1:	Ga[6](N[6]C[6]CH)(O[6]C[6])(CH3)2	C(Ga[6]N[6]O[6]C)(H)3	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(H)	Ga[6](N[6]C[6]CH)(O[6]C[6])(CH3)2{1|C<4>,4|H<1>}	C(Ga[6]N[6]O[6]C)(H)3	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>}	107.1640	1.366	2	107.1640	1.866	2	107.1640	1.866	2	107.1640	1.866	2	108.2465	5.324	8	109.1549	10.972	22
943	490	854	0:SP-NON_SP3_SP3	Ga[6]	C	N[6]	4:2:4:4:	4:4:4:4:	4:4:4:1:	N[6]-4:O[6]-2:C-4:C-4:	Ga[6]-4:C-4:C-4:C-4:	Ga[6]-4:C[6]-4:C-4:H-1:	Ga[6](N[6]C[6]CH)(O[6]C[6])(CC3)2	C(Ga[6]N[6]O[6]C)(CH3)3	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(H)	Ga[6](N[6]C[6]CH)(O[6]C[6])(CC3)2{1|C<4>,4|H<1>}	C(Ga[6]N[6]O[6]C)(CH3)3	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>}	108.2005	2.370	2	108.2005	5.615	2	108.2005	5.615	2	108.2005	5.615	2	108.2465	5.324	8	109.1549	10.972	22
943	490	854	0:SP-NON_SP3_SP3	Ga[6]	C	N[6]	4:2:4:4:	4:4:4:4:	4:4:4:2:	N[6]-4:O[6]-2:C-4:C-4:	Ga[6]-4:C-4:C-4:C-4:	Ga[6]-4:C[6]-4:C-4:O-2:	Ga[6](N[6]C[6]CO)(O[6]N[6])(CC3)2	C(Ga[6]N[6]O[6]C)(CH3)3	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(OGa)	Ga[6](N[6]C[6]CO)(O[6]N[6])(CC3)2{2|C<4>,2|H<1>}	C(Ga[6]N[6]O[6]C)(CH3)3	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(OGa){1|N<3>,2|H<1>}	111.2215	0.308	2	111.2215	0.095	2	111.2215	0.095	2	111.2215	0.095	2	108.2465	5.324	8	109.1549	10.972	22
943	490	856	0:SP-NON_SP2_SP3	Ga[6,6]	C	N[3x6]	3:3:3:4:	4:1:1:1:	4:4:3:	N[3x6]-3:N[6]-3:N[6]-3:C-4:	Ga[6,6]-4:H-1:H-1:H-1:	Ga[4x6]-4:Ga[6,6]-4:C[6]-3:	Ga[6,6](N[3x6]Ga[4x6]C[6])(N[6]C[6a]C[6])(N[6]C[6]H)(CH3)	C(Ga[6,6]N[3x6]N[6]2)(H)3	N[3x6](Ga[4x6]N[6,6]2N[6])(Ga[6,6]N[6]2C)(C[6]C[6a]N[6])	Ga[6,6](N[3x6]Ga[4x6]C[6])(N[6]C[6a]C[6])(N[6]C[6]H)(CH3){4|N<3>,5|C<3>}	C(Ga[6,6]N[3x6]N[6]2)(H)3	N[3x6](Ga[4x6]N[6,6]2N[6])(Ga[6,6]N[6]2C)(C[6]C[6a]N[6]){2|Ga<4>,1|H<1>,8|C<3>}	124.9270	0.000	1	124.9270	0.000	1	124.9270	0.000	1	124.9270	0.000	1	124.9270	0.000	1	109.6213	20.172	69
943	490	856	0:SP-NON_SP2_SP3	Ga[6,6]	C	N[6,6]	3:3:2:4:	4:1:1:1:	4:3:4:	O[6,6]-3:N[6,6]-3:N[6]-2:C-4:	Ga[6,6]-4:H-1:H-1:H-1:	Ga[6,6]-4:C[6]-3:Ga[6]-4:	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6,6]Ga[6]C[6])(N[6]C[6])(CH3)	C(Ga[6,6]N[6,6]O[6,6]N[6])(H)3	N[6,6](Ga[6,6]O[6,6]N[6]C)(C[6]C[6a]N[6])(Ga[6]N[6]CC)	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6,6]Ga[6]C[6])(N[6]C[6])(CH3){1|N<2>,2|C<3>,3|N<3>,5|C<4>}	C(Ga[6,6]N[6,6]O[6,6]N[6])(H)3	N[6,6](Ga[6,6]O[6,6]N[6]C)(C[6]C[6a]N[6])(Ga[6]N[6]CC){2|Ga<4>,5|C<3>}	119.2130	0.000	1	119.2130	0.000	1	119.2130	0.000	1	119.2130	0.000	1	119.2130	0.000	1	109.6213	20.172	69
943	490	856	0:SP-NON_SP2_SP3	Ga[6,6]	C	N[6]	3:3:2:4:	4:1:1:1:	4:3:3:	O[6,6]-3:N[6]-3:N[6]-2:C-4:	Ga[6,6]-4:H-1:H-1:H-1:	Ga[6,6]-4:C[6]-3:C[6a]-3:	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6]C[6a]C[6])(N[6]C[6])(CH3)	C(Ga[6,6]O[6,6]N[6]2)(H)3	N[6](Ga[6,6]O[6,6]N[6]C)(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6]C[6a]C[6])(N[6]C[6])(CH3){1|N<2>,2|N<3>,3|C<4>,4|C<3>}	C(Ga[6,6]O[6,6]N[6]2)(H)3	N[6](Ga[6,6]O[6,6]N[6]C)(C[6]N[6,6]C[6a])(C[6a]C[6a]2){3|Ga<4>,2|C<4>,5|C<3>}	117.5310	0.000	1	117.5310	0.000	1	117.5310	0.000	1	117.5310	0.000	1	110.9839	19.447	7	109.6213	20.172	69
943	490	856	0:SP-NON_SP2_SP3	Ga[6,6]	C	N[6]	3:3:3:4:	4:1:1:1:	4:3:1:	N[3x6]-3:N[6]-3:N[6]-3:C-4:	Ga[6,6]-4:H-1:H-1:H-1:	Ga[6,6]-4:C[6]-3:H-1:	Ga[6,6](N[3x6]Ga[4x6]C[6])(N[6]C[6a]C[6])(N[6]C[6]H)(CH3)	C(Ga[6,6]N[3x6]N[6]2)(H)3	N[6](Ga[6,6]N[3x6]N[6]C)(C[6]C[6a]N[6])(H)	Ga[6,6](N[3x6]Ga[4x6]C[6])(N[6]C[6a]C[6])(N[6]C[6]H)(CH3){4|N<3>,5|C<3>}	C(Ga[6,6]N[3x6]N[6]2)(H)3	N[6](Ga[6,6]N[3x6]N[6]C)(C[6]C[6a]N[6])(H){1|Ga<4>,6|C<3>}	108.9380	0.000	1	108.9380	0.000	1	108.9380	0.000	1	108.1247	0.641	3	110.9839	19.447	7	109.6213	20.172	69
943	490	856	0:SP-NON_SP2_SP3	Ga[6,6]	C	N[6]	3:3:3:4:	4:1:1:1:	4:3:1:	N[6,6]-3:N[6]-3:N[6]-3:C-4:	Ga[6,6]-4:H-1:H-1:H-1:	Ga[6,6]-4:C[6]-3:H-1:	Ga[6,6](N[6,6]Ga[6,6]C)(N[6]C[6a]C[6])(N[6]C[6]H)(CH3)	C(Ga[6,6]N[6,6]N[6]2)(H)3	N[6](Ga[6,6]N[6,6]N[6]C)(C[6]N[6]C)(H)	Ga[6,6](N[6,6]Ga[6,6]C)(N[6]C[6a]C[6])(N[6]C[6]H)(CH3){2|C<3>,2|N<3>,3|C<4>}	C(Ga[6,6]N[6,6]N[6]2)(H)3	N[6](Ga[6,6]N[6,6]N[6]C)(C[6]N[6]C)(H){1|Ga<4>,4|C<3>}	107.7180	0.539	2	107.7180	0.290	2	107.7180	0.290	2	108.1247	0.641	3	110.9839	19.447	7	109.6213	20.172	69
943	490	856	0:SP-NON_SP2_SP3	Ga[6,6]	C	N[6]	3:3:3:4:	4:1:1:1:	4:3:3:	N[3x6]-3:N[6]-3:N[6]-3:C-4:	Ga[6,6]-4:H-1:H-1:H-1:	Ga[6,6]-4:C[6]-3:C[6a]-3:	Ga[6,6](N[3x6]Ga[4x6]C[6])(N[6]C[6a]C[6])(N[6]C[6]H)(CH3)	C(Ga[6,6]N[3x6]N[6]2)(H)3	N[6](Ga[6,6]N[3x6]N[6]C)(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	Ga[6,6](N[3x6]Ga[4x6]C[6])(N[6]C[6a]C[6])(N[6]C[6]H)(CH3){4|N<3>,5|C<3>}	C(Ga[6,6]N[3x6]N[6]2)(H)3	N[6](Ga[6,6]N[3x6]N[6]C)(C[6]N[6,6]C[6a])(C[6a]C[6a]2){2|Ga<4>,3|H<1>,6|C<3>}	116.9410	0.000	1	116.9410	0.000	1	116.9410	0.000	1	111.6607	23.319	3	110.9839	19.447	7	109.6213	20.172	69
943	490	856	0:SP-NON_SP2_SP3	Ga[6,6]	C	N[6]	3:3:3:4:	4:1:1:1:	4:3:3:	N[6,6]-3:N[6]-3:N[6]-3:C-4:	Ga[6,6]-4:H-1:H-1:H-1:	Ga[6,6]-4:C[6a]-3:C[6]-3:	Ga[6,6](N[6,6]Ga[6,6]C)(N[6]C[6a]C[6])(N[6]C[6]H)(CH3)	C(Ga[6,6]N[6,6]N[6]2)(H)3	N[6](Ga[6,6]N[6,6]N[6]C)(C[6a]C[6a]2)(C[6]N[6]C)	Ga[6,6](N[6,6]Ga[6,6]C)(N[6]C[6a]C[6])(N[6]C[6]H)(CH3){2|C<3>,2|N<3>,3|C<4>}	C(Ga[6,6]N[6,6]N[6]2)(H)3	N[6](Ga[6,6]N[6,6]N[6]C)(C[6a]C[6a]2)(C[6]N[6]C){1|Ga<4>,2|C<4>,2|H<1>,4|C<3>}	109.0205	2.194	2	109.0205	4.814	2	109.0205	4.814	2	111.6607	23.319	3	110.9839	19.447	7	109.6213	20.172	69
943	490	856	0:SP-NON_SP2_SP3	Ga[6]	C	N[6,6]	3:3:4:4:	4:1:1:1:	4:3:4:	N[6,6]-3:N[6]-3:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	Ga[4x6]-4:C[6]-3:Ga[6]-4:	Ga[6](N[6,6]Ga[4x6]C[6])(N[6]C[6a]C[6])(CH3)2	C(Ga[6]N[6,6]N[6]C)(H)3	N[6,6](Ga[4x6]N[3x6]N[6,6]N[6])(C[6]C[6a]N[6])(Ga[6]N[6]CC)	Ga[6](N[6,6]Ga[4x6]C[6])(N[6]C[6a]C[6])(CH3)2{4|C<3>,4|N<3>}	C(Ga[6]N[6,6]N[6]C)(H)3	N[6,6](Ga[4x6]N[3x6]N[6,6]N[6])(C[6]C[6a]N[6])(Ga[6]N[6]CC){2|Ga<4>,8|C<3>}	111.8347	5.500	4	111.8347	30.253	4	111.8347	30.253	4	111.9238	20.755	6	111.9238	20.755	6	109.6213	20.172	69
943	490	856	0:SP-NON_SP2_SP3	Ga[6]	C	N[6,6]	3:3:4:4:	4:1:1:1:	4:3:4:	N[6,6]-3:N[6]-3:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	Ga[6,6]-4:C[6]-3:Ga[6]-4:	Ga[6](N[6,6]Ga[6,6]C[6])(N[6]C[6a]C[6])(CH3)2	C(Ga[6]N[6,6]N[6]C)(H)3	N[6,6](Ga[6,6]O[6,6]N[6]C)(C[6]C[6a]N[6])(Ga[6]N[6]CC)	Ga[6](N[6,6]Ga[6,6]C[6])(N[6]C[6a]C[6])(CH3)2{1|C<4>,1|N<2>,1|N<3>,1|O<3>,4|C<3>}	C(Ga[6]N[6,6]N[6]C)(H)3	N[6,6](Ga[6,6]O[6,6]N[6]C)(C[6]C[6a]N[6])(Ga[6]N[6]CC){2|Ga<4>,5|C<3>}	112.1020	3.595	2	112.1020	12.924	2	112.1020	12.924	2	111.9238	20.755	6	111.9238	20.755	6	109.6213	20.172	69
943	490	856	0:SP-NON_SP2_SP3	Ga[6]	C	N[6]	2:3:4:4:	4:1:1:1:	3:4:4:	O[6]-2:N[6]-3:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	C[6]-3:Ga[6]-4:C-4:	Ga[6](O[6]C[6,6a])(N[6]C[6]C)(CH3)2	C(Ga[6]N[6]O[6]C)(H)3	N[6](C[6]C[6,6a]H)(Ga[6]O[6]CC)(CCHH)	Ga[6](O[6]C[6,6a])(N[6]C[6]C)(CH3)2{1|H<1>,2|C<3>}	C(Ga[6]N[6]O[6]C)(H)3	N[6](C[6]C[6,6a]H)(Ga[6]O[6]CC)(CCHH){2|C<3>}	107.7695	3.495	2	107.7695	12.217	2	107.7695	12.217	2	107.7695	12.217	2	108.7277	13.906	54	109.6213	20.172	69
943	490	856	0:SP-NON_SP2_SP3	Ga[6]	C	N[6]	3:2:4:4:	4:1:1:1:	3:4:2:	N[6]-3:O[6]-2:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	C[5,6]-3:Ga[6]-4:O[6]-2:	Ga[6](N[6]C[5,6]O[6])(O[6]N[6])(CH3)2	C(Ga[6]N[6]O[6]C)(H)3	N[6](C[5,6]C[5,5,6]C[5,6])(Ga[6]O[6]CC)(O[6]Ga[6])	Ga[6](N[6]C[5,6]O[6])(O[6]N[6])(CH3)2{1|Ga<4>,1|C<3>,2|C<4>}	C(Ga[6]N[6]O[6]C)(H)3	N[6](C[5,6]C[5,5,6]C[5,6])(Ga[6]O[6]CC)(O[6]Ga[6]){1|N<3>,3|H<1>,5|C<4>}	108.5025	5.792	2	108.5025	33.546	2	108.5025	33.546	2	108.5025	33.546	2	108.7277	13.906	54	109.6213	20.172	69
943	490	856	0:SP-NON_SP2_SP3	Ga[6]	C	N[6]	3:2:4:4:	4:1:1:1:	3:4:3:	N[6]-3:O[6]-2:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	C[6]-3:Ga[6]-4:C[6a]-3:	Ga[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CH3)2	C(Ga[6]N[6]O[6]C)(H)3	N[6](C[6]C[6,6a]H)(Ga[6]O[6]CC)(C[6a]C[6a]2)	Ga[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CH3)2{1|H<1>,4|C<3>}	C(Ga[6]N[6]O[6]C)(H)3	N[6](C[6]C[6,6a]H)(Ga[6]O[6]CC)(C[6a]C[6a]2){2|H<1>,4|C<3>}	107.1285	5.287	2	107.1285	27.953	2	107.1285	27.953	2	107.1285	27.953	2	108.7277	13.906	54	109.6213	20.172	69
943	490	856	0:SP-NON_SP2_SP3	Ga[6]	C	N[6]	3:3:3:4:	4:3:2:1:	4:3:3:	N[6]-3:N[6]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:O-2:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(CC[6a]HO)	C(Ga[6]C[6a]N[6]2)(C[6a]C[6a]2)(OB)(H)	N[6](Ga[6]C[6a]N[6]C)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(CC[6a]HO){2|C<4>,2|F<1>,7|C<3>}	C(Ga[6]C[6a]N[6]2)(C[6a]C[6a]2)(OB)(H)	N[6](Ga[6]C[6a]N[6]C)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	110.8955	1.364	2	110.8955	1.861	2	110.8955	1.861	2	110.8955	1.861	2	108.7277	13.906	54	109.6213	20.172	69
943	490	856	0:SP-NON_SP2_SP3	Ga[6]	C	N[6]	3:3:3:4:	4:4:1:1:	4:3:3:	N[6]-3:N[6]-3:In-3:C-4:	Ga[6]-4:C-4:H-1:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(InGa[6]C)(CCHH)	C(Ga[6]N[6]2In)(CH3)(H)2	N[6](Ga[6]N[6]InC)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(InGa[6]C)(CCHH){2|C<4>,5|C<3>}	C(Ga[6]N[6]2In)(CH3)(H)2	N[6](Ga[6]N[6]InC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	107.0482	3.387	4	107.0482	11.473	4	107.0482	11.473	4	107.0482	11.473	4	108.7277	13.906	54	109.6213	20.172	69
943	490	856	0:SP-NON_SP2_SP3	Ga[6]	C	N[6]	3:3:4:1:	4:4:4:4:	4:3:3:	N[6]-3:N[6]-3:C-4:Cl-1:	Ga[6]-4:C-4:C-4:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(CC3)(Cl)	C(Ga[6]N[6]2Cl)(CH3)3	N[6](Ga[6]N[6]ClC)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(CC3)(Cl){2|C<4>,5|C<3>}	C(Ga[6]N[6]2Cl)(CH3)3	N[6](Ga[6]N[6]ClC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	121.6970	1.256	2	121.6970	1.577	2	121.6970	1.577	2	121.6970	1.577	2	108.7277	13.906	54	109.6213	20.172	69
943	490	856	0:SP-NON_SP2_SP3	Ga[6]	C	N[6]	3:3:4:4:	4:1:1:1:	3:4:3:	N[6,6]-3:N[6]-3:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	C[6]-3:Ga[6]-4:C[6a]-3:	Ga[6](N[6,6]Ga[4x6]C[6])(N[6]C[6a]C[6])(CH3)2	C(Ga[6]N[6,6]N[6]C)(H)3	N[6](C[6]N[3x6]C[6a])(Ga[6]N[6,6]CC)(C[6a]C[6a]2)	Ga[6](N[6,6]Ga[4x6]C[6])(N[6]C[6a]C[6])(CH3)2{4|C<3>,4|N<3>}	C(Ga[6]N[6,6]N[6]C)(H)3	N[6](C[6]N[3x6]C[6a])(Ga[6]N[6,6]CC)(C[6a]C[6a]2){2|Ga<4>,2|H<1>,5|C<3>}	105.7410	0.841	2	105.7410	0.708	2	106.5433	1.113	4	106.5433	1.113	4	108.7277	13.906	54	109.6213	20.172	69
943	490	856	0:SP-NON_SP2_SP3	Ga[6]	C	N[6]	3:3:4:4:	4:1:1:1:	3:4:3:	N[6,6]-3:N[6]-3:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	C[6]-3:Ga[6]-4:C[6a]-3:	Ga[6](N[6,6]Ga[4x6]C[6])(N[6]C[6a]C[6])(CH3)2	C(Ga[6]N[6,6]N[6]C)(H)3	N[6](C[6]N[6,6]C[6a])(Ga[6]N[6,6]CC)(C[6a]C[6a]2)	Ga[6](N[6,6]Ga[4x6]C[6])(N[6]C[6a]C[6])(CH3)2{4|C<3>,4|N<3>}	C(Ga[6]N[6,6]N[6]C)(H)3	N[6](C[6]N[6,6]C[6a])(Ga[6]N[6,6]CC)(C[6a]C[6a]2){2|Ga<4>,2|H<1>,5|C<3>}	107.3455	0.238	2	107.3455	0.057	2	106.5433	1.113	4	106.5433	1.113	4	108.7277	13.906	54	109.6213	20.172	69
943	490	856	0:SP-NON_SP2_SP3	Ga[6]	C	N[6]	3:3:4:4:	4:1:1:1:	4:3:3:	N[6,6]-3:N[6]-3:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	Ga[6]-4:C[6]-3:C[6a]-3:	Ga[6](N[6,6]Ga[6,6]C[6])(N[6]C[6a]C[6])(CH3)2	C(Ga[6]N[6,6]N[6]C)(H)3	N[6](Ga[6]N[6,6]CC)(C[6]C[6a]N[6])(C[6a]C[6a]2)	Ga[6](N[6,6]Ga[6,6]C[6])(N[6]C[6a]C[6])(CH3)2{1|C<4>,1|N<2>,1|N<3>,1|O<3>,4|C<3>}	C(Ga[6]N[6,6]N[6]C)(H)3	N[6](Ga[6]N[6,6]CC)(C[6]C[6a]N[6])(C[6a]C[6a]2){1|Ga<4>,2|C<4>,5|C<3>}	106.1950	0.281	2	106.1950	0.079	2	106.1950	0.079	2	109.3046	5.692	16	108.7277	13.906	54	109.6213	20.172	69
943	490	856	0:SP-NON_SP2_SP3	Ga[6]	C	N[6]	3:3:4:4:	4:1:1:1:	4:3:3:	N[6]-3:N[6]-3:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(CH3)2	C(Ga[6]N[6]2C)(H)3	N[6](Ga[6]N[6]CC)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(CH3)2{2|C<4>,5|C<3>}	C(Ga[6]N[6]2C)(H)3	N[6](Ga[6]N[6]CC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	110.0333	2.225	12	110.0333	4.950	12	110.0333	4.950	12	109.3046	5.692	16	108.7277	13.906	54	109.6213	20.172	69
943	490	856	0:SP-NON_SP2_SP3	Ga[6]	C	N[6]	3:3:4:4:	4:1:1:1:	4:3:3:	O[6,6]-3:N[6]-3:C-4:C-4:	Ga[6]-4:H-1:H-1:H-1:	Ga[6]-4:C[6]-3:C[6a]-3:	Ga[6](O[6,6]Ga[6,6]2)(N[6]C[6a]C[6])(CH3)2	C(Ga[6]O[6,6]N[6]C)(H)3	N[6](Ga[6]O[6,6]CC)(C[6]C[6a]N[6])(C[6a]C[6a]2)	Ga[6](O[6,6]Ga[6,6]2)(N[6]C[6a]C[6])(CH3)2{2|C<4>,2|N<2>,2|N<3>,3|C<3>}	C(Ga[6]O[6,6]N[6]C)(H)3	N[6](Ga[6]O[6,6]CC)(C[6]C[6a]N[6])(C[6a]C[6a]2){2|Ga<4>,2|C<4>,4|C<3>}	108.0415	1.395	2	108.0415	1.946	2	108.0415	1.946	2	109.3046	5.692	16	108.7277	13.906	54	109.6213	20.172	69
943	490	856	0:SP-NON_SP2_SP3	Ga[6]	C	N[6]	3:3:4:4:	4:4:1:1:	4:3:3:	N[6]-3:N[6]-3:C-4:C-4:	Ga[6]-4:C-4:H-1:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(CCHH)2	C(Ga[6]N[6]2C)(CH3)(H)2	N[6](Ga[6]N[6]CC)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(CCHH)2{2|C<4>,5|C<3>}	C(Ga[6]N[6]2C)(CH3)(H)2	N[6](Ga[6]N[6]CC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	110.6808	2.205	4	110.6808	4.862	4	110.6808	4.862	4	108.3472	16.064	6	108.7277	13.906	54	109.6213	20.172	69
943	490	856	0:SP-NON_SP2_SP3	Ga[6]	C	N[6]	3:3:4:4:	4:4:1:1:	4:3:3:	N[6]-3:N[6]-3:In-4:C-4:	Ga[6]-4:C-4:H-1:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(InC[5]CC)(CCHH)	C(Ga[6]N[6]2In)(CH3)(H)2	N[6](Ga[6]N[6]InC)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(InC[5]CC)(CCHH){2|C<4>,5|C<3>}	C(Ga[6]N[6]2In)(CH3)(H)2	N[6](Ga[6]N[6]InC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	103.6800	0.621	2	103.6800	0.385	2	103.6800	0.385	2	108.3472	16.064	6	108.7277	13.906	54	109.6213	20.172	69
943	490	856	0:SP-NON_SP2_SP3	Ga[6]	C	N[6]	3:3:4:4:	4:4:1:1:	4:4:2:	N[6]-3:N[6]-3:C-4:C-4:	Ga[6]-4:Si-4:H-1:H-1:	Ga[6]-4:Ga[6]-4:N-2:	Ga[6](N[6]Ga[6]N)2(CSiHH)2	C(Ga[6]N[6]2C)(SiC3)(H)2	N[6](Ga[6]N[6]CC)2(NN)	Ga[6](N[6]Ga[6]N)2(CSiHH)2{1|N<3>,4|C<4>}	C(Ga[6]N[6]2C)(SiC3)(H)2	N[6](Ga[6]N[6]CC)2(NN){1|Ga<4>,2|N<2>}	107.5403	2.093	12	107.5403	4.379	12	107.5403	4.379	12	107.5403	4.379	12	108.7277	13.906	54	109.6213	20.172	69
943	490	856	0:SP-NON_SP2_SP3	Ga[6]	C	N[6]	3:3:4:4:	4:4:4:4:	4:3:4:	C[6]-3:N[6]-3:C-4:C-4:	Ga[6]-4:C-4:C-4:C-4:	Ga[6]-4:C[6]-3:C-4:	Ga[6](C[6]N[6]H)(N[6]C[6]C)(CC3)2	C(Ga[6]C[6]N[6]C)(CH3)3	N[6](Ga[6]C[6]CC)(C[6]Ga[6]H)(CH3)	Ga[6](C[6]N[6]H)(N[6]C[6]C)(CC3)2{1|Ga<4>,1|C<4>,1|H<1>}	C(Ga[6]C[6]N[6]C)(CH3)3	N[6](Ga[6]C[6]CC)(C[6]Ga[6]H)(CH3){1|H<1>,1|N<3>,2|C<4>}	107.7535	0.005	2	107.7535	0.000	2	107.7535	0.000	2	107.7535	0.000	2	108.7277	13.906	54	109.6213	20.172	69
943	490	856	0:SP-NON_SP3_SP3	Ga[6,6]	C	N[6,6]	3:3:3:4:	4:1:1:1:	4:4:3:	N[6,6]-3:N[6]-3:N[6]-3:C-4:	Ga[6,6]-4:H-1:H-1:H-1:	Ga[6,6]-4:Ga[6,6]-4:C-3:	Ga[6,6](N[6,6]Ga[6,6]C)(N[6]C[6a]C[6])(N[6]C[6]H)(CH3)	C(Ga[6,6]N[6,6]N[6]2)(H)3	N[6,6](Ga[6,6]N[6]2C)2(CCN)	Ga[6,6](N[6,6]Ga[6,6]C)(N[6]C[6a]C[6])(N[6]C[6]H)(CH3){2|C<3>,2|N<3>,3|C<4>}	C(Ga[6,6]N[6,6]N[6]2)(H)3	N[6,6](Ga[6,6]N[6]2C)2(CCN){2|H<1>,4|C<3>}	130.3310	3.308	2	130.3310	10.942	2	130.3310	10.942	2	130.3310	10.942	2	130.3310	10.942	2	130.3310	10.942	2
943	490	914	0:SP-NON_SP2_SP3	Ga[6,6]	C	N[6]	3:3:2:4:	4:1:1:1:	4:3:	O[6,6]-3:N[6,6]-3:N[6]-2:C-4:	Ga[6,6]-4:H-1:H-1:H-1:	Ga[6,6]-4:C[6]-3:	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6,6]Ga[6]C[6])(N[6]C[6])(CH3)	C(Ga[6,6]N[6,6]O[6,6]N[6])(H)3	N[6](Ga[6,6]N[6,6]O[6,6]C)(C[6]C[6a]N[6])	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6,6]Ga[6]C[6])(N[6]C[6])(CH3){1|N<2>,2|C<3>,3|N<3>,5|C<4>}	C(Ga[6,6]N[6,6]O[6,6]N[6])(H)3	N[6](Ga[6,6]N[6,6]O[6,6]C)(C[6]C[6a]N[6]){3|Ga<4>,4|C<3>}	114.2720	0.000	1	114.2720	0.000	1	114.2720	0.000	1	114.1095	0.053	2	114.1095	0.053	2	114.1095	0.053	2
943	490	914	0:SP-NON_SP2_SP3	Ga[6,6]	C	N[6]	3:3:2:4:	4:1:1:1:	4:3:	O[6,6]-3:N[6]-3:N[6]-2:C-4:	Ga[6,6]-4:H-1:H-1:H-1:	Ga[6,6]-4:C[6]-3:	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6]C[6a]C[6])(N[6]C[6])(CH3)	C(Ga[6,6]O[6,6]N[6]2)(H)3	N[6](Ga[6,6]O[6,6]N[6]C)(C[6]C[6a]N[6])	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6]C[6a]C[6])(N[6]C[6])(CH3){1|N<2>,2|N<3>,3|C<4>,4|C<3>}	C(Ga[6,6]O[6,6]N[6]2)(H)3	N[6](Ga[6,6]O[6,6]N[6]C)(C[6]C[6a]N[6]){2|Ga<4>,5|C<3>}	113.9470	0.000	1	113.9470	0.000	1	113.9470	0.000	1	114.1095	0.053	2	114.1095	0.053	2	114.1095	0.053	2
943	490	948	0:SP-NON_SP-NON_SP3	Ga[3x6]	C	H[6,6]	4:2:2:4:	4:4:4:4:	4:4:	C[6,6]-4:H[6,6]-2:H[6,6]-2:C-4:	Ga[3x6]-4:C-4:C-4:C-4:	Ga[3x6]-4:Ga[3x6]-4:	Ga[3x6](C[6,6]Ga[3x6]SiC)(H[6,6]Ga[3x6])2(CC3)	C(Ga[3x6]C[6,6]H[6,6]2)(CH3)3	H[6,6](Ga[3x6]C[6,6]H[6,6]C)2	Ga[3x6](C[6,6]Ga[3x6]SiC)(H[6,6]Ga[3x6])2(CC3){1|C<4>,2|H<2>}	C(Ga[3x6]C[6,6]H[6,6]2)(CH3)3	H[6,6](Ga[3x6]C[6,6]H[6,6]C)2	105.7071	2.693	8	105.7071	7.254	8	105.7071	7.254	8	105.7071	7.254	8	105.7071	7.254	8	105.7071	7.254	8
943	502	790	0:SP-NON_SP-NON_SP-NON	Ga[6]	Br[6]	Cl	4:2:1:1:	3:4:	4:	C[6]-4:Br[6]-2:Cl-1:Cl-1:	C[6,6a]-3:Ga[6]-4:	Ga[6]-4:	Ga[6](C[6]Ga[4]C[6]Si)(Br[6]C[6,6a])(Cl)2	Br[6](C[6,6a]C[6,6a]C[6a])(Ga[6]C[6]Cl2)	Cl(Ga[6]Br[6]C[6]Cl)	Ga[6](C[6]Ga[4]C[6]Si)(Br[6]C[6,6a])(Cl)2{1|Cl<1>,2|Cl<2>,2|C<3>,2|H<1>}	Br[6](C[6,6a]C[6,6a]C[6a])(Ga[6]C[6]Cl2){1|Ga<4>,1|Si<4>,1|C<4>,1|H<1>,2|C<3>}	Cl(Ga[6]Br[6]C[6]Cl)	98.9513	7.674	2	98.9513	58.897	2	98.9513	58.897	2	98.9513	58.897	2	98.9513	58.897	2	98.9513	58.897	2
943	542	542	6:SP-NON_SP2_SP2	Ga[6]	N[5,6]	N[5,6]	3:3:4:4:	3:3:4:	3:3:4:	N[5,6]-3:N[5,6]-3:C-4:C-4:	C[5,6a]-3:C[5,6]-3:Ga[6]-4:	C[5,6a]-3:C[5,6]-3:Ga[6]-4:	Ga[6](N[5,6]C[5,6a]C[5,6])2(CH3)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(Ga[6]N[5,6]CC)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(Ga[6]N[5,6]CC)	Ga[6](N[5,6]C[5,6a]C[5,6])2(CH3)2{2|O<2>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(Ga[6]N[5,6]CC){1|C<4>,1|H<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(Ga[6]N[5,6]CC){1|C<4>,1|H<1>,4|C<3>}	92.7243	0.000	1	90.3840	4.455	3	90.3840	4.455	3	92.5828	22.308	4	95.2132	22.566	7	95.2132	22.566	7
943	542	542	6:SP-NON_SP2_SP2	Ga[6]	N[5,6]	N[5,6]	3:3:4:4:	3:3:4:	3:3:4:	N[5,6]-3:N[5,6]-3:C-4:C-4:	C[5,6a]-3:C[5,6]-3:Ga[6]-4:	C[5,6a]-3:C[5,6]-3:Ga[6]-4:	Ga[6](N[5,6]C[5,6a]C[5,6])2(CH3)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(Ga[6]N[5,6]CC)	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(Ga[6]N[5,6]CC)	Ga[6](N[5,6]C[5,6a]C[5,6])2(CH3)2{2|O<2>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(Ga[6]N[5,6]CC){2|H<1>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6]O[5])(Ga[6]N[5,6]CC){2|H<1>,4|C<3>}	89.2138	0.833	2	90.3840	4.455	3	90.3840	4.455	3	92.5828	22.308	4	95.2132	22.566	7	95.2132	22.566	7
943	542	542	6:SP-NON_SP2_SP2	Ga[6]	N[5,6]	N[5,6]	3:3:4:4:	3:3:4:	3:3:4:	N[5,6]-3:N[5,6]-3:C-4:C-4:	C[5,6a]-3:N[5,6]-3:Ga[6]-4:	C[5,6a]-3:N[5,6]-3:Ga[6]-4:	Ga[6](N[5,6]C[5,6a]N[5,6])2(CH3)2	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]Ga[6]C[5])(Ga[6]N[5,6]CC)	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]Ga[6]C[5])(Ga[6]N[5,6]CC)	Ga[6](N[5,6]C[5,6a]N[5,6])2(CH3)2{1|Ga<4>,6|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]Ga[6]C[5])(Ga[6]N[5,6]CC){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]Ga[6]C[5])(Ga[6]N[5,6]CC){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	99.1791	0.000	1	99.1791	0.000	1	99.1791	0.000	1	92.5828	22.308	4	95.2132	22.566	7	95.2132	22.566	7
943	542	542	6:SP-NON_SP2_SP2	Ga[6]	N[5,6]	N[5,6]	3:3:4:4:	3:3:4:	3:4:3:	N[5,6]-3:N[5,6]-3:C-4:C-4:	C[5,6a]-3:N[5,6]-3:Ga[6]-4:	N[5,6]-3:Ga[6]-4:C[5]-3:	Ga[6](N[5,6]C[5,6a]N[5,6])(N[5,6]N[5,6]C[5])(CH3)2	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]Ga[6]C[5])(Ga[6]N[5,6]CC)	N[5,6](N[5,6]C[5,6a]Ga[6])(Ga[6]N[5,6]CC)(C[5]C[5,6a]H)	Ga[6](N[5,6]C[5,6a]N[5,6])(N[5,6]N[5,6]C[5])(CH3)2{1|Ga<4>,1|H<1>,5|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(N[5,6]Ga[6]C[5])(Ga[6]N[5,6]CC){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	N[5,6](N[5,6]C[5,6a]Ga[6])(Ga[6]N[5,6]CC)(C[5]C[5,6a]H){1|N<3>,2|C<4>,3|C<3>}	99.4857	0.614	2	99.4857	0.377	2	99.4857	0.377	2	99.4857	0.377	2	95.2132	22.566	7	95.2132	22.566	7
943	542	542	6:SP-NON_SP2_SP2	Ga[6]	N[5,6]	N[5,6]	3:3:4:4:	3:4:3:	3:4:3:	N[5,6]-3:N[5,6]-3:C-4:C-4:	N[5,6]-3:Ga[6]-4:C[5]-3:	N[5,6]-3:Ga[6]-4:C[5]-3:	Ga[6](N[5,6]N[5,6]C[5])2(CH3)2	N[5,6](N[5,6]C[5,6a]Ga[6])(Ga[6]N[5,6]CC)(C[5]C[5,6a]H)	N[5,6](N[5,6]C[5,6a]Ga[6])(Ga[6]N[5,6]CC)(C[5]C[5,6a]H)	Ga[6](N[5,6]N[5,6]C[5])2(CH3)2{1|Ga<4>,2|H<1>,4|C<3>}	N[5,6](N[5,6]C[5,6a]Ga[6])(Ga[6]N[5,6]CC)(C[5]C[5,6a]H){1|N<3>,2|C<4>,3|C<3>}	N[5,6](N[5,6]C[5,6a]Ga[6])(Ga[6]N[5,6]CC)(C[5]C[5,6a]H){1|N<3>,2|C<4>,3|C<3>}	97.1901	0.000	1	97.1901	0.000	1	97.1901	0.000	1	97.1901	0.000	1	95.2132	22.566	7	95.2132	22.566	7
943	542	622	6:SP-NON_SP2_SP2	Ga[6]	N[5,6]	O[6]	3:2:4:4:	3:3:4:	3:4:	N[5,6]-3:O[6]-2:C-4:C-4:	C[5,6a]-3:C[5,6]-3:Ga[6]-4:	C[6,6a]-3:Ga[6]-4:	Ga[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(CH3)2	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(Ga[6]O[6]CC)	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[5,6]CC)	Ga[6](N[5,6]C[5,6a]C[5,6])(O[6]C[6,6a])(CH3)2{1|O<2>,4|C<3>}	N[5,6](C[5,6a]C[5,6a]C[6a])(C[5,6]C[6,6a]O[5])(Ga[6]O[6]CC){1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[5,6]CC){1|H<1>,4|C<3>}	90.2220	0.000	1	90.2220	0.000	1	90.2220	0.000	1	90.2220	0.000	1	90.2220	0.000	1	90.2220	0.000	1
943	622	622	0:SP-NON_SP2_SP2	Ga[6,6]	O[6]	O[6]	2:2:4:4:	3:4:	3:4:	O[6]-2:O[6]-2:N[6]-4:N[6]-4:	C[6,6a]-3:Ga[6,6]-4:	C[6,6a]-3:Ga[6,6]-4:	Ga[6,6](O[6]C[6,6a])2(N[6]C[6]CH)2	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6,6]N[6]2O[6])	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6,6]N[6]2O[6])	Ga[6,6](O[6]C[6,6a])2(N[6]C[6]CH)2{4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6,6]N[6]2O[6]){3|C<3>,3|H<1>,4|C<4>}	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6,6]N[6]2O[6]){3|C<3>,3|H<1>,4|C<4>}	97.6452	0.000	1	97.6452	0.000	1	97.6452	0.000	1	97.6452	0.000	1	97.6452	0.000	1	97.6452	0.000	1
943	622	790	0:SP-NON_SP-NON_SP2	Ga[6]	O[6]	Cl	3:2:1:1:	4:3:	4:	N[6]-3:O[6]-2:Cl-1:Cl-1:	Ga[6]-4:C[6]-3:	Ga[6]-4:	Ga[6](N[6]C[6]C)(O[6]C[6])(Cl)2	O[6](Ga[6]N[6]Cl2)(C[6]C[6]C)	Cl(Ga[6]N[6]O[6]Cl)	Ga[6](N[6]C[6]C)(O[6]C[6])(Cl)2{1|C<3>,2|C<4>}	O[6](Ga[6]N[6]Cl2)(C[6]C[6]C){1|C<3>,1|C<4>,1|H<1>}	Cl(Ga[6]N[6]O[6]Cl)	108.2255	2.323	2	108.2255	5.396	2	108.2255	5.396	2	108.2255	5.396	2	103.5143	69.283	3	103.5143	69.283	3
943	622	790	0:SP-NON_SP-NON_SP2	Ga[6]	O[6]	Cl	4:2:2:1:	3:4:	4:	N[5,6]-4:O[6]-2:O-2:Cl-1:	C[6,6a]-3:Ga[6]-4:	Ga[6]-4:	Ga[6](N[5,6]C[5]2C[6])(O[6]C[6,6a])(OC[6a])(Cl)	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[5,6]ClO)	Cl(Ga[6]N[5,6]O[6]O)	Ga[6](N[5,6]C[5]2C[6])(O[6]C[6,6a])(OC[6a])(Cl){2|C<3>,3|C<4>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[5,6]ClO){2|C<3>,4|C<4>}	Cl(Ga[6]N[5,6]O[6]O)	94.0920	0.000	1	94.0920	0.000	1	94.0920	0.000	1	94.0920	0.000	1	103.5143	69.283	3	103.5143	69.283	3
943	622	818	6:SP-NON_SP2_SP2	Ga[6]	O[6]	C[5,6]	3:2:4:4:	3:4:	3:3:4:	C[5,6]-3:O[6]-2:C-4:C-4:	C[6,6a]-3:Ga[6]-4:	N[5,6]-3:N[5]-3:Ga[6]-4:	Ga[6](C[5,6]N[5,6]N[5])(O[6]C[6,6a])(CH3)2	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]C[5,6]CC)	C[5,6](N[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])(Ga[6]O[6]CC)	Ga[6](C[5,6]N[5,6]N[5])(O[6]C[6,6a])(CH3)2{2|C<4>,3|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]C[5,6]CC){1|H<1>,2|C<3>,2|N<3>}	C[5,6](N[5,6]C[6,6a]C[5])(N[5]C[6a]C[5])(Ga[6]O[6]CC){4|C<3>,4|H<1>}	88.3017	0.000	1	88.3017	0.000	1	88.3017	0.000	1	88.3017	0.000	1	88.3017	0.000	1	88.3017	0.000	1
943	622	818	6:SP-NON_SP2_SP3	Ga[6]	O[6]	C[5,6]	3:2:4:4:	4:4:	3:3:4:	C[5,6]-3:O[6]-2:C-4:C-4:	Ga[6]-4:C[6]-4:	N[5,6]-3:N[5]-3:Ga[6]-4:	Ga[6](C[5,6]N[5,6]N[5])(O[6]C[6])(CH3)2	O[6](Ga[6]C[5,6]CC)(C[6]C[6]HH)	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(Ga[6]O[6]CC)	Ga[6](C[5,6]N[5,6]N[5])(O[6]C[6])(CH3)2{1|C<3>,2|H<1>,3|C<4>}	O[6](Ga[6]C[5,6]CC)(C[6]C[6]HH){2|H<1>,2|N<3>}	C[5,6](N[5,6]C[5]C[6])(N[5]C[6a]C[5])(Ga[6]O[6]CC){1|C<4>,2|C<3>,6|H<1>}	92.6042	0.000	1	92.6042	0.000	1	92.6042	0.000	1	92.6042	0.000	1	92.6042	0.000	1	92.6042	0.000	1
943	622	854	0:SP-NON_SP2_SP3	Ga[6,6]	O[6]	N[6]	2:2:4:4:	3:4:	4:4:4:1:	O[6]-2:O[6]-2:N[6]-4:N[6]-4:	C[6,6a]-3:Ga[6,6]-4:	Ga[6,6]-4:C[6]-4:C-4:H-1:	Ga[6,6](O[6]C[6,6a])2(N[6]C[6]CH)2	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6,6]N[6]2O[6])	N[6](Ga[6,6]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H)	Ga[6,6](O[6]C[6,6a])2(N[6]C[6]CH)2{4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6,6]N[6]2O[6]){3|C<3>,3|H<1>,4|C<4>}	N[6](Ga[6,6]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	130.8681	57.199	2	130.8681	3271.742	2	130.8681	3271.742	2	130.8681	3271.742	2	130.8681	3271.742	2	130.8681	3271.742	2
943	622	854	6:SP-NON_SP2_SP3	Ga[6,6]	O[6]	N[6]	2:2:4:4:	3:4:	4:4:4:1:	O[6]-2:O[6]-2:N[6]-4:N[6]-4:	C[6,6a]-3:Ga[6,6]-4:	Ga[6,6]-4:C[6]-4:C-4:H-1:	Ga[6,6](O[6]C[6,6a])2(N[6]C[6]CH)2	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6,6]N[6]2O[6])	N[6](Ga[6,6]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H)	Ga[6,6](O[6]C[6,6a])2(N[6]C[6]CH)2{4|C<3>,4|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6,6]N[6]2O[6]){3|C<3>,3|H<1>,4|C<4>}	N[6](Ga[6,6]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	91.2880	0.822	2	91.2880	0.675	2	91.2880	0.675	2	91.2880	0.675	2	91.2880	0.675	2	91.2880	0.675	2
943	622	854	6:SP-NON_SP3_SP3	Ga[6,6]	O[6,6]	N[3x6]	4:2:4:4:	4:4:	4:4:2:4:	N[3x6]-4:O[6,6]-2:C-4:C-4:	N[3x6]-4:Ga[6,6]-4:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CCCH)2	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC)	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3)	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CCCH)2{1|Ga<4>,2|C<4>,2|H<1>}	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC){1|O<2>,2|H<1>,4|C<4>}	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3){1|N<4>,2|C<4>,2|H<1>}	91.7326	0.542	2	91.7326	0.294	2	92.6058	0.558	6	92.6058	0.558	6	92.6058	0.558	6	93.5194	5.030	10
943	622	854	6:SP-NON_SP3_SP3	Ga[6,6]	O[6,6]	N[3x6]	4:2:4:4:	4:4:	4:4:2:4:	N[3x6]-4:O[6,6]-2:C-4:C-4:	N[3x6]-4:Ga[6,6]-4:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CCCH)2	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC)	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CH3)	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CCCH)2{1|Ga<4>,2|C<4>,2|H<1>}	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC){1|O<2>,2|H<1>,4|C<4>}	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CH3){1|N<4>,2|C<4>,2|H<1>}	92.8792	0.282	2	92.8792	0.080	2	92.6058	0.558	6	92.6058	0.558	6	92.6058	0.558	6	93.5194	5.030	10
943	622	854	6:SP-NON_SP3_SP3	Ga[6,6]	O[6,6]	N[3x6]	4:2:4:4:	4:4:	4:4:2:4:	N[3x6]-4:O[6,6]-2:C-4:C-4:	N[3x6]-4:Ga[6,6]-4:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CH3)2	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC)	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3)	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CH3)2{1|Ga<4>,2|C<4>,2|H<1>}	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC){1|O<2>,2|H<1>,4|C<4>}	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CC3){1|N<4>,2|C<4>,2|H<1>}	93.3152	0.000	1	93.3152	0.000	1	92.6058	0.558	6	92.6058	0.558	6	92.6058	0.558	6	93.5194	5.030	10
943	622	854	6:SP-NON_SP3_SP3	Ga[6,6]	O[6,6]	N[3x6]	4:2:4:4:	4:4:	4:4:2:4:	N[3x6]-4:O[6,6]-2:C-4:C-4:	N[3x6]-4:Ga[6,6]-4:	Ga[6,6]-4:C[6,6]-4:O[6,6]-2:C-4:	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CH3)2	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC)	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CH3)	Ga[6,6](N[3x6]C[6,6]O[6,6]C)(O[6,6]N[3x6])(CH3)2{1|Ga<4>,2|C<4>,2|H<1>}	O[6,6](N[3x6]Ga[6,6]C[6,6]C)(Ga[6,6]N[3x6]CC){1|O<2>,2|H<1>,4|C<4>}	N[3x6](Ga[6,6]O[6,6]CC)(C[6,6]C[6,6]HH)(O[6,6]Ga[6,6])(CH3){1|N<4>,2|C<4>,2|H<1>}	93.0963	0.000	1	93.0963	0.000	1	92.6058	0.558	6	92.6058	0.558	6	92.6058	0.558	6	93.5194	5.030	10
943	622	854	6:SP-NON_SP3_SP3	Ga[6]	O[6]	N[6]	4:2:4:4:	4:3:	4:4:4:2:	N[6]-4:O[6]-2:C-4:C-4:	Ga[6]-4:N[6]-3:	Ga[6]-4:C[6]-4:C-4:O-2:	Ga[6](N[6]C[6]CO)(O[6]N[6])(CC3)2	O[6](Ga[6]N[6]CC)(N[6]C[6]C)	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(OGa)	Ga[6](N[6]C[6]CO)(O[6]N[6])(CC3)2{2|C<4>,2|H<1>}	O[6](Ga[6]N[6]CC)(N[6]C[6]C){1|O<2>,2|C<4>,2|H<1>}	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(OGa){1|N<3>,2|H<1>}	90.6399	0.000	1	90.6399	0.000	1	90.6399	0.000	1	90.6399	0.000	1	94.8897	9.987	4	93.5194	5.030	10
943	622	854	6:SP-NON_SP3_SP3	Ga[6]	O[6]	N[6]	4:2:4:4:	4:4:	4:2:4:4:	N[6]-4:O[6]-2:C-4:C-4:	Ga[6]-4:N[6]-4:	Ga[6]-4:O[6]-2:C-4:C-4:	Ga[6](N[6]O[6]CC)(O[6]N[6])(CH3)2	O[6](Ga[6]N[6]CC)(N[6]Ga[6]CC)	N[6](Ga[6]O[6]CC)(O[6]Ga[6])(CH3)2	Ga[6](N[6]O[6]CC)(O[6]N[6])(CH3)2{1|Ga<4>,2|C<4>}	O[6](Ga[6]N[6]CC)(N[6]Ga[6]CC){1|O<2>,4|C<4>}	N[6](Ga[6]O[6]CC)(O[6]Ga[6])(CH3)2{1|N<4>,2|C<4>}	97.9465	0.000	1	97.9465	0.000	1	97.9465	0.000	1	97.9465	0.000	1	94.8897	9.987	4	93.5194	5.030	10
943	622	854	6:SP-NON_SP3_SP3	Ga[6]	O[6]	N[6]	4:2:4:4:	4:4:	4:4:4:1:	N[6]-4:O[6]-2:C-4:C-4:	Ga[6]-4:C[6]-4:	Ga[6]-4:C[6]-4:C-4:H-1:	Ga[6](N[6]C[6]CH)(O[6]C[6])(CC3)2	O[6](Ga[6]N[6]CC)(C[6]C[6]HH)	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(H)	Ga[6](N[6]C[6]CH)(O[6]C[6])(CC3)2{1|C<4>,4|H<1>}	O[6](Ga[6]N[6]CC)(C[6]C[6]HH){2|C<4>,3|H<1>}	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>}	96.4465	0.000	1	96.4465	0.000	1	95.4862	1.844	2	95.4862	1.844	2	94.8897	9.987	4	93.5194	5.030	10
943	622	854	6:SP-NON_SP3_SP3	Ga[6]	O[6]	N[6]	4:2:4:4:	4:4:	4:4:4:1:	N[6]-4:O[6]-2:C-4:C-4:	Ga[6]-4:C[6]-4:	Ga[6]-4:C[6]-4:C-4:H-1:	Ga[6](N[6]C[6]CH)(O[6]C[6])(CH3)2	O[6](Ga[6]N[6]CC)(C[6]C[6]HH)	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(H)	Ga[6](N[6]C[6]CH)(O[6]C[6])(CH3)2{1|C<4>,4|H<1>}	O[6](Ga[6]N[6]CC)(C[6]C[6]HH){2|C<4>,3|H<1>}	N[6](Ga[6]O[6]CC)(C[6]C[6]HH)(CH3)(H){1|C<4>,2|H<1>}	94.5260	0.000	1	94.5260	0.000	1	95.4862	1.844	2	95.4862	1.844	2	94.8897	9.987	4	93.5194	5.030	10
943	622	856	6:SP-NON_SP2_SP2	Ga[6]	O[6]	N[6]	2:3:4:4:	3:4:	3:4:4:	O[6]-2:N[6]-3:C-4:C-4:	C[6,6a]-3:Ga[6]-4:	C[6]-3:Ga[6]-4:C-4:	Ga[6](O[6]C[6,6a])(N[6]C[6]C)(CH3)2	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[6]CC)	N[6](C[6]C[6,6a]H)(Ga[6]O[6]CC)(CCHH)	Ga[6](O[6]C[6,6a])(N[6]C[6]C)(CH3)2{1|H<1>,2|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[6]CC){1|Cl<1>,1|C<4>,3|C<3>}	N[6](C[6]C[6,6a]H)(Ga[6]O[6]CC)(CCHH){2|C<3>}	91.2846	0.000	1	91.2846	0.000	1	91.2846	0.000	1	91.2846	0.000	1	94.8923	24.137	4	94.8923	24.137	4
943	622	856	6:SP-NON_SP2_SP2	Ga[6]	O[6]	N[6]	3:2:1:1:	4:3:	4:3:4:	N[6]-3:O[6]-2:Cl-1:Cl-1:	Ga[6]-4:C[6]-3:	Ga[6]-4:C[6]-3:C-4:	Ga[6](N[6]C[6]C)(O[6]C[6])(Cl)2	O[6](Ga[6]N[6]Cl2)(C[6]C[6]C)	N[6](Ga[6]O[6]Cl2)(C[6]C[6]C)(CCCH)	Ga[6](N[6]C[6]C)(O[6]C[6])(Cl)2{1|C<3>,2|C<4>}	O[6](Ga[6]N[6]Cl2)(C[6]C[6]C){1|C<3>,1|C<4>,1|H<1>}	N[6](Ga[6]O[6]Cl2)(C[6]C[6]C)(CCCH){1|C<3>,1|H<1>}	101.2990	0.000	1	101.2990	0.000	1	101.2990	0.000	1	101.2990	0.000	1	94.8923	24.137	4	94.8923	24.137	4
943	622	856	6:SP-NON_SP2_SP2	Ga[6]	O[6]	N[6]	3:2:3:3:	4:3:	4:3:4:	N[6]-3:O[6]-2:N-3:N-3:	Ga[6]-4:C[6]-3:	Ga[6]-4:C[6]-3:C-4:	Ga[6](N[6]C[6]C)(O[6]C[6])(NCC)2	O[6](Ga[6]N[6]NN)(C[6]C[6]C)	N[6](Ga[6]O[6]NN)(C[6]C[6]C)(CCCH)	Ga[6](N[6]C[6]C)(O[6]C[6])(NCC)2{1|C<3>,2|C<4>}	O[6](Ga[6]N[6]NN)(C[6]C[6]C){1|C<3>,1|C<4>,1|H<1>}	N[6](Ga[6]O[6]NN)(C[6]C[6]C)(CCCH){1|C<3>,1|H<1>}	96.1791	0.000	1	96.1791	0.000	1	96.1791	0.000	1	96.1791	0.000	1	94.8923	24.137	4	94.8923	24.137	4
943	622	856	6:SP-NON_SP2_SP2	Ga[6]	O[6]	N[6]	3:2:4:4:	3:4:	3:4:3:	N[6]-3:O[6]-2:C-4:C-4:	C[6,6a]-3:Ga[6]-4:	C[6]-3:Ga[6]-4:C[6a]-3:	Ga[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CH3)2	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[6]CC)	N[6](C[6]C[6,6a]H)(Ga[6]O[6]CC)(C[6a]C[6a]2)	Ga[6](N[6]C[6a]C[6])(O[6]C[6,6a])(CH3)2{1|H<1>,4|C<3>}	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[6]CC){5|C<3>}	N[6](C[6]C[6,6a]H)(Ga[6]O[6]CC)(C[6a]C[6a]2){2|H<1>,4|C<3>}	90.8066	0.000	1	90.8066	0.000	1	90.8066	0.000	1	90.8066	0.000	1	94.8923	24.137	4	94.8923	24.137	4
943	622	856	6:SP-NON_SP2_SP3	Ga[6]	O[6]	N[6]	3:2:4:4:	3:4:	3:4:2:	N[6]-3:O[6]-2:C-4:C-4:	N[6]-3:Ga[6]-4:	C[5,6]-3:Ga[6]-4:O[6]-2:	Ga[6](N[6]C[5,6]O[6])(O[6]N[6])(CH3)2	O[6](N[6]C[5,6]Ga[6])(Ga[6]N[6]CC)	N[6](C[5,6]C[5,5,6]C[5,6])(Ga[6]O[6]CC)(O[6]Ga[6])	Ga[6](N[6]C[5,6]O[6])(O[6]N[6])(CH3)2{1|Ga<4>,1|C<3>,2|C<4>}	O[6](N[6]C[5,6]Ga[6])(Ga[6]N[6]CC){1|C<3>,1|O<2>,4|C<4>}	N[6](C[5,6]C[5,5,6]C[5,6])(Ga[6]O[6]CC)(O[6]Ga[6]){1|N<3>,3|H<1>,5|C<4>}	95.3603	0.000	1	95.3603	0.000	1	95.3603	0.000	1	95.3603	0.000	1	95.3603	0.000	1	95.3603	0.000	1
943	622	893	0:SP-NON_SP2_SP2	Ga[6]	O[6]	O	4:2:2:1:	3:4:	4:3:	N[5,6]-4:O[6]-2:O-2:Cl-1:	C[6,6a]-3:Ga[6]-4:	Ga[6]-4:C[6a]-3:	Ga[6](N[5,6]C[5]2C[6])(O[6]C[6,6a])(OC[6a])(Cl)	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[5,6]ClO)	O(Ga[6]N[5,6]O[6]Cl)(C[6a]C[6a]2)	Ga[6](N[5,6]C[5]2C[6])(O[6]C[6,6a])(OC[6a])(Cl){2|C<3>,3|C<4>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[5,6]ClO){2|C<3>,4|C<4>}	O(Ga[6]N[5,6]O[6]Cl)(C[6a]C[6a]2)	93.4515	0.000	1	93.4515	0.000	1	93.4515	0.000	1	93.4515	0.000	1	93.4515	0.000	1	93.4515	0.000	1
943	622	956	0:SP-NON_SP2_SP3	Ga[6]	O[6]	N	3:2:3:3:	4:3:	4:4:4:	N[6]-3:O[6]-2:N-3:N-3:	Ga[6]-4:C[6]-3:	Ga[6]-4:C-4:C-4:	Ga[6](N[6]C[6]C)(O[6]C[6])(NCC)2	O[6](Ga[6]N[6]NN)(C[6]C[6]C)	N(Ga[6]N[6]O[6]N)(CH3)2	Ga[6](N[6]C[6]C)(O[6]C[6])(NCC)2{1|C<3>,2|C<4>}	O[6](Ga[6]N[6]NN)(C[6]C[6]C){1|C<3>,1|C<4>,1|H<1>}	N(Ga[6]N[6]O[6]N)(CH3)2	106.9125	7.099	2	106.9125	50.391	2	106.9125	50.391	2	106.9125	50.391	2	106.9125	50.391	2	106.9125	50.391	2
943	622	999	6:SP-NON_SP2_SP3	Ga[6]	O[6]	N[5,6]	4:2:2:1:	3:4:	4:4:4:4:	N[5,6]-4:O[6]-2:O-2:Cl-1:	C[6,6a]-3:Ga[6]-4:	C[6]-4:Ga[6]-4:C[5]-4:C[5]-4:	Ga[6](N[5,6]C[5]2C[6])(O[6]C[6,6a])(OC[6a])(Cl)	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[5,6]ClO)	N[5,6](C[6]C[6,6a]HH)(Ga[6]O[6]ClO)(C[5]C[5]2H)(C[5]C[5]HH)	Ga[6](N[5,6]C[5]2C[6])(O[6]C[6,6a])(OC[6a])(Cl){2|C<3>,3|C<4>,5|H<1>}	O[6](C[6,6a]C[6,6a]C[6a])(Ga[6]N[5,6]ClO){2|C<3>,4|C<4>}	N[5,6](C[6]C[6,6a]HH)(Ga[6]O[6]ClO)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	89.0702	0.000	1	89.0702	0.000	1	89.0702	0.000	1	89.0702	0.000	1	89.0702	0.000	1	89.0702	0.000	1
943	643	790	0:SP-NON_SP-NON_SP2	Ga[6,6]	C[6,6a]	Cl	3:3:2:1:	4:3:3:	4:	C[6,6a]-3:N[6,6]-3:Cl[6,6]-2:Cl-1:	Ga[6,6]-4:C[6,6,6a]-3:C[6a]-3:	Ga[6,6]-4:	Ga[6,6](C[6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(Cl[6,6]Ga[6,6])(Cl)	C[6,6a](Ga[6,6]Cl[6,6]N[6,6]Cl)(C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)	Cl(Ga[6,6]C[6,6a]Cl[6,6]N[6,6])	Ga[6,6](C[6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(Cl[6,6]Ga[6,6])(Cl){1|Cl<1>,1|N<3>,2|H<1>,5|C<3>}	C[6,6a](Ga[6,6]Cl[6,6]N[6,6]Cl)(C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,5|C<3>}	Cl(Ga[6,6]C[6,6a]Cl[6,6]N[6,6])	118.3300	4.772	2	118.3300	22.768	2	118.3300	22.768	2	118.3300	22.768	2	118.3300	22.768	2	118.3300	22.768	2
943	643	856	0:SP-NON_SP2_SP2	Ga[6,6]	C[6,6a]	N[6,6]	3:3:2:1:	4:3:3:	4:3:3:	C[6,6a]-3:N[6,6]-3:Cl[6,6]-2:Cl-1:	Ga[6,6]-4:C[6,6,6a]-3:C[6a]-3:	Ga[6,6]-4:C[6,6,6a]-3:C[6]-3:	Ga[6,6](C[6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(Cl[6,6]Ga[6,6])(Cl)	C[6,6a](Ga[6,6]Cl[6,6]N[6,6]Cl)(C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)	N[6,6](Ga[6,6]C[6,6a]Cl[6,6]Cl)(C[6,6,6a]C[6,6a]2)(C[6]C[6]H)	Ga[6,6](C[6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(Cl[6,6]Ga[6,6])(Cl){1|Cl<1>,1|N<3>,2|H<1>,5|C<3>}	C[6,6a](Ga[6,6]Cl[6,6]N[6,6]Cl)(C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,5|C<3>}	N[6,6](Ga[6,6]C[6,6a]Cl[6,6]Cl)(C[6,6,6a]C[6,6a]2)(C[6]C[6]H){1|Ga<4>,1|H<1>,5|C<3>}	111.5865	1.795	2	111.5865	3.223	2	111.5865	3.223	2	111.5865	3.223	2	111.5865	3.223	2	109.8387	8.141	4
943	643	856	0:SP-NON_SP2_SP2	Ga[6]	C[6a]	N[6]	3:3:3:4:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6a]-3:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(CC[6a]HO)	C[6a](Ga[6]N[6]2C)(C[6a]C[6a]F)2	N[6](Ga[6]C[6a]N[6]C)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(CC[6a]HO){2|C<4>,2|F<1>,7|C<3>}	C[6a](Ga[6]N[6]2C)(C[6a]C[6a]F)2{2|F<1>,5|C<3>}	N[6](Ga[6]C[6a]N[6]C)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	108.0910	2.997	2	108.0910	8.980	2	108.0910	8.980	2	108.0910	8.980	2	108.0910	8.980	2	109.8387	8.141	4
943	643	954	6:SP-NON_SP-NON_SP2	Ga[6,6]	C[6,6a]	Cl[6,6]	3:3:2:1:	4:3:3:	4:4:	C[6,6a]-3:N[6,6]-3:Cl[6,6]-2:Cl-1:	Ga[6,6]-4:C[6,6,6a]-3:C[6a]-3:	Ga[6,6]-4:Ga[6,6]-4:	Ga[6,6](C[6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(Cl[6,6]Ga[6,6])(Cl)	C[6,6a](Ga[6,6]Cl[6,6]N[6,6]Cl)(C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H)	Cl[6,6](Ga[6,6]C[6,6a]N[6,6]Cl)2	Ga[6,6](C[6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(Cl[6,6]Ga[6,6])(Cl){1|Cl<1>,1|N<3>,2|H<1>,5|C<3>}	C[6,6a](Ga[6,6]Cl[6,6]N[6,6]Cl)(C[6,6,6a]C[6,6a]N[6,6])(C[6a]C[6a]H){1|Ga<4>,1|H<1>,5|C<3>}	Cl[6,6](Ga[6,6]C[6,6a]N[6,6]Cl)2{6|C<3>}	108.7430	0.738	2	108.7430	0.545	2	108.7430	0.545	2	108.7430	0.545	2	108.7430	0.545	2	108.7430	0.545	2
943	762	762	6:SP-NON_SP2_SP2	Ga[6]	C[6]	C[6]	3:3:3:1:	4:3:4:	4:3:4:	C[6]-3:C[6]-3:N[6]-3:Cl-1:	Ga[6]-4:C[6]-3:Si-4:	Ga[6]-4:C[6]-3:Si-4:	Ga[6](C[6]C[6]Si)2(N[6]C[6]2)(Cl)	C[6](Ga[6]C[6]N[6]Cl)(C[6]C[6]H)(SiC3)	C[6](Ga[6]C[6]N[6]Cl)(C[6]C[6]H)(SiC3)	Ga[6](C[6]C[6]Si)2(N[6]C[6]2)(Cl){1|C<4>,2|C<3>,4|H<1>}	C[6](Ga[6]C[6]N[6]Cl)(C[6]C[6]H)(SiC3){1|Si<4>,2|H<1>,3|C<3>}	C[6](Ga[6]C[6]N[6]Cl)(C[6]C[6]H)(SiC3){1|Si<4>,2|H<1>,3|C<3>}	111.1670	0.000	1	111.1670	0.000	1	111.1670	0.000	1	111.1670	0.000	1	111.1670	0.000	1	111.1670	0.000	1
943	762	790	0:SP-NON_SP-NON_SP2	Ga[6]	C[6]	Cl	3:2:2:1:	4:4:4:	4:	C[6]-3:S[6]-2:S[6]-2:Cl-1:	P[6]-4:P[6]-4:Ga[6]-4:	Ga[6]-4:	Ga[6](C[6]P[6]2)(S[6]P[6])2(Cl)	C[6](P[6]C[6a]2S[6])2(Ga[6]S[6]2Cl)	Cl(Ga[6]C[6]S[6]2)	Ga[6](C[6]P[6]2)(S[6]P[6])2(Cl){2|S<2>,9|C<3>}	C[6](P[6]C[6a]2S[6])2(Ga[6]S[6]2Cl){1|Ga<4>,2|P<4>,8|C<3>}	Cl(Ga[6]C[6]S[6]2)	111.9840	0.000	1	111.9840	0.000	1	111.9840	0.000	1	111.9840	0.000	1	115.0337	6.994	3	115.0337	6.994	3
943	762	790	0:SP-NON_SP-NON_SP2	Ga[6]	C[6]	Cl	3:3:3:1:	4:3:4:	4:	C[6]-3:C[6]-3:N[6]-3:Cl-1:	Ga[6]-4:C[6]-3:Si-4:	Ga[6]-4:	Ga[6](C[6]C[6]Si)2(N[6]C[6]2)(Cl)	C[6](Ga[6]C[6]N[6]Cl)(C[6]C[6]H)(SiC3)	Cl(Ga[6]C[6]2N[6])	Ga[6](C[6]C[6]Si)2(N[6]C[6]2)(Cl){1|C<4>,2|C<3>,4|H<1>}	C[6](Ga[6]C[6]N[6]Cl)(C[6]C[6]H)(SiC3){1|Si<4>,2|H<1>,3|C<3>}	Cl(Ga[6]C[6]2N[6])	116.5585	0.194	2	116.5585	0.038	2	116.5585	0.038	2	116.5585	0.038	2	115.0337	6.994	3	115.0337	6.994	3
943	762	856	0:SP-NON_SP2_SP2	Ga[6]	C[6]	N[6]	3:3:3:1:	4:3:4:	4:3:3:	C[6]-3:C[6]-3:N[6]-3:Cl-1:	Ga[6]-4:C[6]-3:Si-4:	Ga[6]-4:C[6]-3:C[6]-3:	Ga[6](C[6]C[6]Si)2(N[6]C[6]2)(Cl)	C[6](Ga[6]C[6]N[6]Cl)(C[6]C[6]H)(SiC3)	N[6](Ga[6]C[6]2Cl)(C[6]C[6]H)2	Ga[6](C[6]C[6]Si)2(N[6]C[6]2)(Cl){1|C<4>,2|C<3>,4|H<1>}	C[6](Ga[6]C[6]N[6]Cl)(C[6]C[6]H)(SiC3){1|Si<4>,2|H<1>,3|C<3>}	N[6](Ga[6]C[6]2Cl)(C[6]C[6]H)2{2|Si<4>,2|H<1>,3|C<3>}	105.2725	4.904	2	105.2725	24.047	2	105.2725	24.047	2	105.2725	24.047	2	105.2725	24.047	2	105.2725	24.047	2
943	762	856	6:SP-NON_SP2_SP2	Ga[6]	C[6]	N[6]	3:3:4:4:	4:3:1:	4:3:4:	C[6]-3:N[6]-3:C-4:C-4:	Ga[6]-4:N[6]-3:H-1:	Ga[6]-4:C[6]-3:C-4:	Ga[6](C[6]N[6]H)(N[6]C[6]C)(CC3)2	C[6](Ga[6]N[6]CC)(N[6]Ga[6]C)(H)	N[6](Ga[6]C[6]CC)(C[6]Ga[6]H)(CH3)	Ga[6](C[6]N[6]H)(N[6]C[6]C)(CC3)2{1|Ga<4>,1|C<4>,1|H<1>}	C[6](Ga[6]N[6]CC)(N[6]Ga[6]C)(H){1|C<3>,3|C<4>}	N[6](Ga[6]C[6]CC)(C[6]Ga[6]H)(CH3){1|H<1>,1|N<3>,2|C<4>}	103.1830	0.000	1	103.1830	0.000	1	103.1830	0.000	1	103.1830	0.000	1	103.1830	0.000	1	103.1830	0.000	1
943	790	790	0:SP-NON_SP-NON_SP-NON	Ga[6]	Cl	Cl	2:2:1:1:	4:	4:	S[6]-2:S[6]-2:Cl-1:Cl-1:	Ga[6]-4:	Ga[6]-4:	Ga[6](S[6]P[6])2(Cl)2	Cl(Ga[6]S[6]2Cl)	Cl(Ga[6]S[6]2Cl)	Ga[6](S[6]P[6])2(Cl)2{1|N<2>,2|C<3>,2|C<4>}	Cl(Ga[6]S[6]2Cl)	Cl(Ga[6]S[6]2Cl)	108.2350	0.000	1	109.0780	1.421	2	109.0780	1.421	2	109.0780	1.421	2	111.4553	12.308	8	111.4553	12.308	8
943	790	790	0:SP-NON_SP-NON_SP-NON	Ga[6]	Cl	Cl	2:2:1:1:	4:	4:	S[6]-2:S[6]-2:Cl-1:Cl-1:	Ga[6]-4:	Ga[6]-4:	Ga[6](S[6]P[6])2(Cl)2	Cl(Ga[6]S[6]2Cl)	Cl(Ga[6]S[6]2Cl)	Ga[6](S[6]P[6])2(Cl)2{1|N<2>,4|C<3>}	Cl(Ga[6]S[6]2Cl)	Cl(Ga[6]S[6]2Cl)	109.9210	0.000	1	109.0780	1.421	2	109.0780	1.421	2	109.0780	1.421	2	111.4553	12.308	8	111.4553	12.308	8
943	790	790	0:SP-NON_SP-NON_SP-NON	Ga[6]	Cl	Cl	3:2:1:1:	4:	4:	N[6]-3:O[6]-2:Cl-1:Cl-1:	Ga[6]-4:	Ga[6]-4:	Ga[6](N[6]C[6]C)(O[6]C[6])(Cl)2	Cl(Ga[6]N[6]O[6]Cl)	Cl(Ga[6]N[6]O[6]Cl)	Ga[6](N[6]C[6]C)(O[6]C[6])(Cl)2{1|C<3>,2|C<4>}	Cl(Ga[6]N[6]O[6]Cl)	Cl(Ga[6]N[6]O[6]Cl)	109.1460	0.000	1	109.1460	0.000	1	109.1460	0.000	1	109.1460	0.000	1	111.4553	12.308	8	111.4553	12.308	8
943	790	790	0:SP-NON_SP-NON_SP-NON	Ga[6]	Cl	Cl	3:3:1:1:	4:	4:	N[6,6]-3:N[6,6]-3:Cl-1:Cl-1:	Ga[6]-4:	Ga[6]-4:	Ga[6](N[6,6]C[6,6]C[6])2(Cl)2	Cl(Ga[6]N[6,6]2Cl)	Cl(Ga[6]N[6,6]2Cl)	Ga[6](N[6,6]C[6,6]C[6])2(Cl)2{1|C<4>,2|H<1>,4|C<3>}	Cl(Ga[6]N[6,6]2Cl)	Cl(Ga[6]N[6,6]2Cl)	116.4200	0.000	1	116.4200	0.000	1	116.4200	0.000	1	111.8243	15.841	3	111.4553	12.308	8	111.4553	12.308	8
943	790	790	0:SP-NON_SP-NON_SP-NON	Ga[6]	Cl	Cl	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:Cl-1:Cl-1:	Ga[6]-4:	Ga[6]-4:	Ga[6](N[6]C[6a]C[6])2(Cl)2	Cl(Ga[6]N[6]2Cl)	Cl(Ga[6]N[6]2Cl)	Ga[6](N[6]C[6a]C[6])2(Cl)2{2|C<4>,5|C<3>}	Cl(Ga[6]N[6]2Cl)	Cl(Ga[6]N[6]2Cl)	109.5600	0.000	1	109.5265	0.002	2	109.5265	0.002	2	111.8243	15.841	3	111.4553	12.308	8	111.4553	12.308	8
943	790	790	0:SP-NON_SP-NON_SP-NON	Ga[6]	Cl	Cl	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:Cl-1:Cl-1:	Ga[6]-4:	Ga[6]-4:	Ga[6](N[6]C[6a]C[6])2(Cl)2	Cl(Ga[6]N[6]2Cl)	Cl(Ga[6]N[6]2Cl)	Ga[6](N[6]C[6a]C[6])2(Cl)2{2|H<1>,5|C<3>}	Cl(Ga[6]N[6]2Cl)	Cl(Ga[6]N[6]2Cl)	109.4930	0.000	1	109.5265	0.002	2	109.5265	0.002	2	111.8243	15.841	3	111.4553	12.308	8	111.4553	12.308	8
943	790	790	0:SP-NON_SP-NON_SP-NON	Ga[6]	Cl	Cl	4:2:1:1:	4:	4:	C[6]-4:Br[6]-2:Cl-1:Cl-1:	Ga[6]-4:	Ga[6]-4:	Ga[6](C[6]Ga[4]C[6]Si)(Br[6]C[6,6a])(Cl)2	Cl(Ga[6]Br[6]C[6]Cl)	Cl(Ga[6]Br[6]C[6]Cl)	Ga[6](C[6]Ga[4]C[6]Si)(Br[6]C[6,6a])(Cl)2{1|Cl<1>,2|Cl<2>,2|C<3>,2|H<1>}	Cl(Ga[6]Br[6]C[6]Cl)	Cl(Ga[6]Br[6]C[6]Cl)	111.4110	0.000	1	111.4110	0.000	1	111.4110	0.000	1	111.4110	0.000	1	111.4553	12.308	8	111.4553	12.308	8
943	790	790	0:SP-NON_SP-NON_SP-NON	Ga[6]	Cl	Cl	4:4:1:1:	4:	4:	As[6]-4:As[6]-4:Cl-1:Cl-1:	Ga[6]-4:	Ga[6]-4:	Ga[6](As[6]C[6]CC)2(Cl)2	Cl(Ga[6]As[6]2Cl)	Cl(Ga[6]As[6]2Cl)	Ga[6](As[6]C[6]CC)2(Cl)2{1|C<4>,4|H<1>}	Cl(Ga[6]As[6]2Cl)	Cl(Ga[6]As[6]2Cl)	117.4560	0.000	1	117.4560	0.000	1	117.4560	0.000	1	117.4560	0.000	1	111.4553	12.308	8	111.4553	12.308	8
943	790	826	0:SP-NON_SP-NON_SP3	Ga[6]	Cl	As[6]	4:4:1:1:	4:	4:4:4:4:	As[6]-4:As[6]-4:Cl-1:Cl-1:	Ga[6]-4:	Ga[6]-4:C[6]-4:C-4:C-4:	Ga[6](As[6]C[6]CC)2(Cl)2	Cl(Ga[6]As[6]2Cl)	As[6](Ga[6]As[6]Cl2)(C[6]C[6]HH)(CH3)2	Ga[6](As[6]C[6]CC)2(Cl)2{1|C<4>,4|H<1>}	Cl(Ga[6]As[6]2Cl)	As[6](Ga[6]As[6]Cl2)(C[6]C[6]HH)(CH3)2{5|C<4>}	109.2580	3.514	4	109.2580	12.351	4	109.2580	12.351	4	109.2580	12.351	4	109.2580	12.351	4	109.2580	12.351	4
943	790	856	0:SP-NON_SP-NON_SP2	Ga[6,6]	Cl	N[6,6]	3:3:2:1:	4:	4:3:3:	C[6,6a]-3:N[6,6]-3:Cl[6,6]-2:Cl-1:	Ga[6,6]-4:	Ga[6,6]-4:C[6,6,6a]-3:C[6]-3:	Ga[6,6](C[6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(Cl[6,6]Ga[6,6])(Cl)	Cl(Ga[6,6]C[6,6a]Cl[6,6]N[6,6])	N[6,6](Ga[6,6]C[6,6a]Cl[6,6]Cl)(C[6,6,6a]C[6,6a]2)(C[6]C[6]H)	Ga[6,6](C[6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(Cl[6,6]Ga[6,6])(Cl){1|Cl<1>,1|N<3>,2|H<1>,5|C<3>}	Cl(Ga[6,6]C[6,6a]Cl[6,6]N[6,6])	N[6,6](Ga[6,6]C[6,6a]Cl[6,6]Cl)(C[6,6,6a]C[6,6a]2)(C[6]C[6]H){1|Ga<4>,1|H<1>,5|C<3>}	107.4390	0.161	2	107.4390	0.026	2	107.4390	0.026	2	107.4390	0.026	2	107.4390	0.026	2	108.2194	25.695	27
943	790	856	0:SP-NON_SP-NON_SP2	Ga[6]	Cl	N[6,6]	3:3:1:1:	4:	4:3:3:	N[6,6]-3:N[6,6]-3:Cl-1:Cl-1:	Ga[6]-4:	Ga[6]-4:C[6,6]-3:C[6]-3:	Ga[6](N[6,6]C[6,6]C[6])2(Cl)2	Cl(Ga[6]N[6,6]2Cl)	N[6,6](Ga[6]N[6,6]Cl2)(C[6,6]C[6]2)(C[6]C[6]H)	Ga[6](N[6,6]C[6,6]C[6])2(Cl)2{1|C<4>,2|H<1>,4|C<3>}	Cl(Ga[6]N[6,6]2Cl)	N[6,6](Ga[6]N[6,6]Cl2)(C[6,6]C[6]2)(C[6]C[6]H){3|C<3>,4|H<1>}	111.1950	2.158	4	111.1950	4.656	4	111.1950	4.656	4	111.1950	4.656	4	111.1950	4.656	4	108.2194	25.695	27
943	790	856	0:SP-NON_SP-NON_SP2	Ga[6]	Cl	N[6]	3:2:1:1:	4:	4:3:4:	N[6]-3:O[6]-2:Cl-1:Cl-1:	Ga[6]-4:	Ga[6]-4:C[6]-3:C-4:	Ga[6](N[6]C[6]C)(O[6]C[6])(Cl)2	Cl(Ga[6]N[6]O[6]Cl)	N[6](Ga[6]O[6]Cl2)(C[6]C[6]C)(CCCH)	Ga[6](N[6]C[6]C)(O[6]C[6])(Cl)2{1|C<3>,2|C<4>}	Cl(Ga[6]N[6]O[6]Cl)	N[6](Ga[6]O[6]Cl2)(C[6]C[6]C)(CCCH){1|C<3>,1|H<1>}	114.6700	0.912	2	114.6700	0.832	2	114.6700	0.832	2	114.6700	0.832	2	107.7270	30.618	21	108.2194	25.695	27
943	790	856	0:SP-NON_SP-NON_SP2	Ga[6]	Cl	N[6]	3:2:2:1:	4:	4:3:3:	N[6]-3:S[6]-2:S[6]-2:Cl-1:	Ga[6]-4:	Ga[6]-4:C[6]-3:C[6]-3:	Ga[6](N[6]C[6]2)(S[6]Ga[6])2(Cl)	Cl(Ga[6]N[6]S[6]2)	N[6](Ga[6]S[6]2Cl)(C[6]C[6]H)2	Ga[6](N[6]C[6]2)(S[6]Ga[6])2(Cl){2|Cl<1>,1|S<2>,2|C<3>,2|H<1>,2|N<3>}	Cl(Ga[6]N[6]S[6]2)	N[6](Ga[6]S[6]2Cl)(C[6]C[6]H)2{2|Ga<4>,1|C<3>,2|C<4>}	100.8991	1.734	3	100.8991	3.008	3	100.8991	3.008	3	100.8991	3.008	3	107.7270	30.618	21	108.2194	25.695	27
943	790	856	0:SP-NON_SP-NON_SP2	Ga[6]	Cl	N[6]	3:3:1:1:	4:	4:3:3:	N[6]-3:N[6]-3:Cl-1:Cl-1:	Ga[6]-4:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(Cl)2	Cl(Ga[6]N[6]2Cl)	N[6](Ga[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(Cl)2{2|C<4>,5|C<3>}	Cl(Ga[6]N[6]2Cl)	N[6](Ga[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	111.6505	2.260	4	111.6505	5.109	4	112.0386	2.810	8	112.0386	2.810	8	107.7270	30.618	21	108.2194	25.695	27
943	790	856	0:SP-NON_SP-NON_SP2	Ga[6]	Cl	N[6]	3:3:1:1:	4:	4:3:3:	N[6]-3:N[6]-3:Cl-1:Cl-1:	Ga[6]-4:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(Cl)2	Cl(Ga[6]N[6]2Cl)	N[6](Ga[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]H)	Ga[6](N[6]C[6a]C[6])2(Cl)2{2|H<1>,5|C<3>}	Cl(Ga[6]N[6]2Cl)	N[6](Ga[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,5|C<3>}	112.4267	1.023	4	112.4267	1.046	4	112.0386	2.810	8	112.0386	2.810	8	107.7270	30.618	21	108.2194	25.695	27
943	790	856	0:SP-NON_SP-NON_SP2	Ga[6]	Cl	N[6]	3:3:2:1:	4:	4:3:3:	N[6]-3:N[6]-3:O-2:Cl-1:	Ga[6]-4:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(OGa[6])(Cl)	Cl(Ga[6]N[6]2O)	N[6](Ga[6]N[6]ClO)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(OGa[6])(Cl){2|C<4>,5|C<3>}	Cl(Ga[6]N[6]2O)	N[6](Ga[6]N[6]ClO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	109.3520	2.217	2	109.3520	4.917	2	109.3520	4.917	2	109.3520	4.917	2	107.7270	30.618	21	108.2194	25.695	27
943	790	856	0:SP-NON_SP-NON_SP2	Ga[6]	Cl	N[6]	3:3:3:1:	4:	4:3:3:	C[6]-3:C[6]-3:N[6]-3:Cl-1:	Ga[6]-4:	Ga[6]-4:C[6]-3:C[6]-3:	Ga[6](C[6]C[6]Si)2(N[6]C[6]2)(Cl)	Cl(Ga[6]C[6]2N[6])	N[6](Ga[6]C[6]2Cl)(C[6]C[6]H)2	Ga[6](C[6]C[6]Si)2(N[6]C[6]2)(Cl){1|C<4>,2|C<3>,4|H<1>}	Cl(Ga[6]C[6]2N[6])	N[6](Ga[6]C[6]2Cl)(C[6]C[6]H)2{2|Si<4>,2|H<1>,3|C<3>}	99.8807	0.000	1	99.8807	0.000	1	99.8807	0.000	1	100.9836	1.344	3	107.7270	30.618	21	108.2194	25.695	27
943	790	856	0:SP-NON_SP-NON_SP2	Ga[6]	Cl	N[6]	3:3:3:1:	4:	4:3:3:	P[5,5]-3:N[6]-3:N[6]-3:Cl-1:	Ga[6]-4:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](P[5,5]P[3,5,5]P[3x5])(N[6]C[6a]C[6])2(Cl)	Cl(Ga[6]P[5,5]N[6]2)	N[6](Ga[6]P[5,5]N[6]Cl)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](P[5,5]P[3,5,5]P[3x5])(N[6]C[6a]C[6])2(Cl){1|Ga<4>,2|C<4>,3|P<3>,5|C<3>}	Cl(Ga[6]P[5,5]N[6]2)	N[6](Ga[6]P[5,5]N[6]Cl)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|P<3>,4|C<3>}	101.5350	0.929	2	101.5350	0.863	2	101.5350	0.863	2	100.9836	1.344	3	107.7270	30.618	21	108.2194	25.695	27
943	790	856	0:SP-NON_SP-NON_SP2	Ga[6]	Cl	N[6]	3:3:4:1:	4:	4:3:3:	N[6]-3:N[6]-3:C-4:Cl-1:	Ga[6]-4:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(CC3)(Cl)	Cl(Ga[6]N[6]2C)	N[6](Ga[6]N[6]ClC)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(CC3)(Cl){2|C<4>,5|C<3>}	Cl(Ga[6]N[6]2C)	N[6](Ga[6]N[6]ClC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	102.6945	0.404	2	102.6945	0.163	2	102.6945	0.163	2	104.0887	5.913	3	107.7270	30.618	21	108.2194	25.695	27
943	790	856	0:SP-NON_SP-NON_SP2	Ga[6]	Cl	N[6]	3:3:4:1:	4:	4:3:3:	N[6]-3:N[6]-3:Si-4:Cl-1:	Ga[6]-4:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(SiCl3)(Cl)	Cl(Ga[6]N[6]2Si)	N[6](Ga[6]N[6]ClSi)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(SiCl3)(Cl){2|C<4>,5|C<3>}	Cl(Ga[6]N[6]2Si)	N[6](Ga[6]N[6]ClSi)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	106.8770	0.000	1	106.8770	0.000	1	106.8770	0.000	1	104.0887	5.913	3	107.7270	30.618	21	108.2194	25.695	27
943	790	880	0:SP-NON_SP-NON_SP3	Ga[6]	Cl	Si	3:3:4:1:	4:	4:1:1:1:	N[6]-3:N[6]-3:Si-4:Cl-1:	Ga[6]-4:	Ga[6]-4:Cl-1:Cl-1:Cl-1:	Ga[6](N[6]C[6a]C[6])2(SiCl3)(Cl)	Cl(Ga[6]N[6]2Si)	Si(Ga[6]N[6]2Cl)(Cl)3	Ga[6](N[6]C[6a]C[6])2(SiCl3)(Cl){2|C<4>,5|C<3>}	Cl(Ga[6]N[6]2Si)	Si(Ga[6]N[6]2Cl)(Cl)3	103.7160	0.000	1	103.7160	0.000	1	103.7160	0.000	1	103.7160	0.000	1	103.7160	0.000	1	103.7160	0.000	1
943	790	893	0:SP-NON_SP-NON_SP2	Ga[6]	Cl	O	4:2:2:1:	4:	4:3:	N[5,6]-4:O[6]-2:O-2:Cl-1:	Ga[6]-4:	Ga[6]-4:C[6a]-3:	Ga[6](N[5,6]C[5]2C[6])(O[6]C[6,6a])(OC[6a])(Cl)	Cl(Ga[6]N[5,6]O[6]O)	O(Ga[6]N[5,6]O[6]Cl)(C[6a]C[6a]2)	Ga[6](N[5,6]C[5]2C[6])(O[6]C[6,6a])(OC[6a])(Cl){2|C<3>,3|C<4>,5|H<1>}	Cl(Ga[6]N[5,6]O[6]O)	O(Ga[6]N[5,6]O[6]Cl)(C[6a]C[6a]2)	119.3320	0.000	1	119.3320	0.000	1	119.3320	0.000	1	119.3320	0.000	1	119.3320	0.000	1	119.3320	0.000	1
943	790	893	0:SP-NON_SP-NON_SP3	Ga[6]	Cl	O	3:3:2:1:	4:	4:4:	N[6]-3:N[6]-3:O-2:Cl-1:	Ga[6]-4:	Ga[6]-4:Ga[6]-4:	Ga[6](N[6]C[6a]C[6])2(OGa[6])(Cl)	Cl(Ga[6]N[6]2O)	O(Ga[6]N[6]2Cl)2	Ga[6](N[6]C[6a]C[6])2(OGa[6])(Cl){2|C<4>,5|C<3>}	Cl(Ga[6]N[6]2O)	O(Ga[6]N[6]2Cl)2	111.5990	0.000	1	111.5990	0.000	1	111.5990	0.000	1	111.5990	0.000	1	111.5990	0.000	1	111.5990	0.000	1
943	790	954	0:SP-NON_SP-NON_SP-NON	Ga[6,6]	Cl	Cl[6,6]	3:3:2:1:	4:	4:4:	C[6,6a]-3:N[6,6]-3:Cl[6,6]-2:Cl-1:	Ga[6,6]-4:	Ga[6,6]-4:Ga[6,6]-4:	Ga[6,6](C[6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(Cl[6,6]Ga[6,6])(Cl)	Cl(Ga[6,6]C[6,6a]Cl[6,6]N[6,6])	Cl[6,6](Ga[6,6]C[6,6a]N[6,6]Cl)2	Ga[6,6](C[6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(Cl[6,6]Ga[6,6])(Cl){1|Cl<1>,1|N<3>,2|H<1>,5|C<3>}	Cl(Ga[6,6]C[6,6a]Cl[6,6]N[6,6])	Cl[6,6](Ga[6,6]C[6,6a]N[6,6]Cl)2{6|C<3>}	106.0405	0.093	2	106.0405	0.009	2	106.0405	0.009	2	106.0405	0.009	2	106.0405	0.009	2	106.0405	0.009	2
943	790	999	0:SP-NON_SP-NON_SP3	Ga[6]	Cl	N[5,6]	4:2:2:1:	4:	4:4:4:4:	N[5,6]-4:O[6]-2:O-2:Cl-1:	Ga[6]-4:	C[6]-4:Ga[6]-4:C[5]-4:C[5]-4:	Ga[6](N[5,6]C[5]2C[6])(O[6]C[6,6a])(OC[6a])(Cl)	Cl(Ga[6]N[5,6]O[6]O)	N[5,6](C[6]C[6,6a]HH)(Ga[6]O[6]ClO)(C[5]C[5]2H)(C[5]C[5]HH)	Ga[6](N[5,6]C[5]2C[6])(O[6]C[6,6a])(OC[6a])(Cl){2|C<3>,3|C<4>,5|H<1>}	Cl(Ga[6]N[5,6]O[6]O)	N[5,6](C[6]C[6,6a]HH)(Ga[6]O[6]ClO)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	117.4990	0.000	1	117.4990	0.000	1	117.4990	0.000	1	117.4990	0.000	1	117.4990	0.000	1	117.4990	0.000	1
943	826	826	6:SP-NON_SP3_SP3	Ga[6]	As[6]	As[6]	4:4:1:1:	4:4:4:4:	4:4:4:4:	As[6]-4:As[6]-4:Cl-1:Cl-1:	Ga[6]-4:C[6]-4:C-4:C-4:	Ga[6]-4:C[6]-4:C-4:C-4:	Ga[6](As[6]C[6]CC)2(Cl)2	As[6](Ga[6]As[6]Cl2)(C[6]C[6]HH)(CH3)2	As[6](Ga[6]As[6]Cl2)(C[6]C[6]HH)(CH3)2	Ga[6](As[6]C[6]CC)2(Cl)2{1|C<4>,4|H<1>}	As[6](Ga[6]As[6]Cl2)(C[6]C[6]HH)(CH3)2{5|C<4>}	As[6](Ga[6]As[6]Cl2)(C[6]C[6]HH)(CH3)2{5|C<4>}	100.6110	0.000	1	100.6110	0.000	1	100.6110	0.000	1	100.6110	0.000	1	100.6110	0.000	1	100.6110	0.000	1
943	849	849	6:SP-NON_SP3_SP3	Ga[6]	P[6]	P[6]	4:4:4:1:	4:3:3:4:	4:3:3:4:	P[6]-4:P[6]-4:Ga[6]-4:I-1:	Ga[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	Ga[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	Ga[6](P[6]C[6a]2C[6])2(Ga[6]P[6]2I)(I)	P[6](Ga[6]Ga[6]P[6]I)(C[6a]C[6a]2)2(C[6]B[6]HH)	P[6](Ga[6]Ga[6]P[6]I)(C[6a]C[6a]2)2(C[6]B[6]HH)	Ga[6](P[6]C[6a]2C[6])2(Ga[6]P[6]2I)(I){12|C<3>,1|B<4>,2|C<4>,4|H<1>}	P[6](Ga[6]Ga[6]P[6]I)(C[6a]C[6a]2)2(C[6]B[6]HH){1|C<4>,1|I<1>,2|P<4>,4|H<1>,8|C<3>}	P[6](Ga[6]Ga[6]P[6]I)(C[6a]C[6a]2)2(C[6]B[6]HH){1|C<4>,1|I<1>,2|P<4>,4|H<1>,8|C<3>}	92.9803	0.000	1	92.9803	0.000	1	92.9803	0.000	1	92.9803	0.000	1	95.8686	10.364	3	95.8686	10.364	3
943	849	849	6:SP-NON_SP3_SP3	Ga[6]	P[6]	P[6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	Ga[6]-4:P[6]-4:P[6]-4:I-1:	Ga[6]-4:C[6]-4:C-4:C-4:	Ga[6]-4:C[6]-4:C-4:C-4:	Ga[6](Ga[6]P[6]2I)(P[6]C[6]CC)2(I)	P[6](Ga[6]Ga[6]P[6]I)(C[6]B[6]HH)(CCCH)2	P[6](Ga[6]Ga[6]P[6]I)(C[6]B[6]HH)(CCCH)2	Ga[6](Ga[6]P[6]2I)(P[6]C[6]CC)2(I){1|B<4>,4|H<1>,6|C<4>}	P[6](Ga[6]Ga[6]P[6]I)(C[6]B[6]HH)(CCCH)2{1|I<1>,2|C<3>,2|P<4>,3|C<4>}	P[6](Ga[6]Ga[6]P[6]I)(C[6]B[6]HH)(CCCH)2{1|I<1>,2|C<3>,2|P<4>,3|C<4>}	97.3127	2.866	2	97.3127	8.214	2	97.3127	8.214	2	97.3127	8.214	2	95.8686	10.364	3	95.8686	10.364	3
943	849	943	0:SP-NON_SP-NON_SP3	Ga[6]	P[6]	Ga[6]	4:4:4:1:	4:4:4:4:	4:4:4:1:	Ga[6]-4:P[6]-4:P[6]-4:I-1:	Ga[6]-4:C[6]-4:C-4:C-4:	Ga[6]-4:P[6]-4:P[6]-4:I-1:	Ga[6](Ga[6]P[6]2I)(P[6]C[6]CC)2(I)	P[6](Ga[6]Ga[6]P[6]I)(C[6]B[6]HH)(CCCH)2	Ga[6](Ga[6]P[6]2I)(P[6]C[6]CC)2(I)	Ga[6](Ga[6]P[6]2I)(P[6]C[6]CC)2(I){1|B<4>,4|H<1>,6|C<4>}	P[6](Ga[6]Ga[6]P[6]I)(C[6]B[6]HH)(CCCH)2{1|I<1>,2|C<3>,2|P<4>,3|C<4>}	Ga[6](Ga[6]P[6]2I)(P[6]C[6]CC)2(I){1|B<4>,4|H<1>,6|C<4>}	126.4553	6.194	4	126.4553	38.369	4	126.4553	38.369	4	126.4553	38.369	4	126.4553	38.369	4	126.4553	38.369	4
943	849	943	6:SP-NON_SP-NON_SP3	Ga[6]	P[6]	Ga[6]	4:4:4:1:	4:3:3:4:	4:4:4:1:	P[6]-4:P[6]-4:Ga[6]-4:I-1:	Ga[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	P[6]-4:P[6]-4:Ga[6]-4:I-1:	Ga[6](P[6]C[6a]2C[6])2(Ga[6]P[6]2I)(I)	P[6](Ga[6]Ga[6]P[6]I)(C[6a]C[6a]2)2(C[6]B[6]HH)	Ga[6](P[6]C[6a]2C[6])2(Ga[6]P[6]2I)(I)	Ga[6](P[6]C[6a]2C[6])2(Ga[6]P[6]2I)(I){12|C<3>,1|B<4>,2|C<4>,4|H<1>}	P[6](Ga[6]Ga[6]P[6]I)(C[6a]C[6a]2)2(C[6]B[6]HH){1|C<4>,1|I<1>,2|P<4>,4|H<1>,8|C<3>}	Ga[6](P[6]C[6a]2C[6])2(Ga[6]P[6]2I)(I){12|C<3>,1|B<4>,2|C<4>,4|H<1>}	117.8905	8.436	2	117.8905	71.174	2	117.8905	71.174	2	117.8905	71.174	2	117.8905	71.174	2	117.8905	71.174	2
943	849	944	0:SP-NON_SP-NON_SP3	Ga[6]	P[6]	I	4:4:4:1:	4:3:3:4:	4:	P[6]-4:P[6]-4:Ga[6]-4:I-1:	Ga[6]-4:C[6a]-3:C[6a]-3:C[6]-4:	Ga[6]-4:	Ga[6](P[6]C[6a]2C[6])2(Ga[6]P[6]2I)(I)	P[6](Ga[6]Ga[6]P[6]I)(C[6a]C[6a]2)2(C[6]B[6]HH)	I(Ga[6]Ga[6]P[6]2)	Ga[6](P[6]C[6a]2C[6])2(Ga[6]P[6]2I)(I){12|C<3>,1|B<4>,2|C<4>,4|H<1>}	P[6](Ga[6]Ga[6]P[6]I)(C[6a]C[6a]2)2(C[6]B[6]HH){1|C<4>,1|I<1>,2|P<4>,4|H<1>,8|C<3>}	I(Ga[6]Ga[6]P[6]2)	107.2255	4.505	2	107.2255	20.295	2	107.2255	20.295	2	107.2255	20.295	2	101.1275	30.014	6	101.1275	30.014	6
943	849	944	0:SP-NON_SP-NON_SP3	Ga[6]	P[6]	I	4:4:4:1:	4:4:4:4:	4:	Ga[6]-4:P[6]-4:P[6]-4:I-1:	Ga[6]-4:C[6]-4:C-4:C-4:	Ga[6]-4:	Ga[6](Ga[6]P[6]2I)(P[6]C[6]CC)2(I)	P[6](Ga[6]Ga[6]P[6]I)(C[6]B[6]HH)(CCCH)2	I(Ga[6]Ga[6]P[6]2)	Ga[6](Ga[6]P[6]2I)(P[6]C[6]CC)2(I){1|B<4>,4|H<1>,6|C<4>}	P[6](Ga[6]Ga[6]P[6]I)(C[6]B[6]HH)(CCCH)2{1|I<1>,2|C<3>,2|P<4>,3|C<4>}	I(Ga[6]Ga[6]P[6]2)	98.0785	2.464	4	98.0785	6.072	4	98.0785	6.072	4	98.0785	6.072	4	101.1275	30.014	6	101.1275	30.014	6
943	854	854	0:SP-NON_SP3_SP3	Ga[6,6]	N[6]	N[6]	2:2:4:4:	4:4:4:1:	4:4:4:1:	O[6]-2:O[6]-2:N[6]-4:N[6]-4:	Ga[6,6]-4:C[6]-4:C-4:H-1:	Ga[6,6]-4:C[6]-4:C-4:H-1:	Ga[6,6](O[6]C[6,6a])2(N[6]C[6]CH)2	N[6](Ga[6,6]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H)	N[6](Ga[6,6]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H)	Ga[6,6](O[6]C[6,6a])2(N[6]C[6]CH)2{4|C<3>,4|H<1>}	N[6](Ga[6,6]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	N[6](Ga[6,6]N[6]O[6]2)(C[6]C[6,6a]HH)(CCHH)(H){1|H<1>,2|C<4>,3|C<3>}	90.4435	0.000	1	90.4435	0.000	1	90.4435	0.000	1	90.4435	0.000	1	90.4435	0.000	1	90.4435	0.000	1
943	854	854	6:SP-NON_SP3_SP3	Ga[5x6]	N[5x6]	N[6x6]	4:4:3:1:	4:4:4:4:	4:4:4:1:	N[5x6]-4:N[6x6]-4:N[6,6]-3:H-1:	Ga[5x6]-4:Ga[6,6]-4:Ga[6x6]-4:C-4:	Ga[5x6]-4:Ga[5x6]-4:Ga[5x6]-4:H-1:	Ga[5x6](N[5x6]Ga[6,6]Ga[6x6]C)(N[6x6]Ga[5x6]2H)(N[6,6]Ga[6,6]C)(H)	N[5x6](Ga[5x6]N[6,6]N[6x6]H)(Ga[6,6]N[6,6]HH)(Ga[6x6]N[5x6]2H)(CH3)	N[6x6](Ga[5x6]N[5x6]N[6,6]H)3(H)	Ga[5x6](N[5x6]Ga[6,6]Ga[6x6]C)(N[6x6]Ga[5x6]2H)(N[6,6]Ga[6,6]C)(H){2|N<3>,2|N<4>,7|H<1>}	N[5x6](Ga[5x6]N[6,6]N[6x6]H)(Ga[6,6]N[6,6]HH)(Ga[6x6]N[5x6]2H)(CH3){4|Ga<4>,1|H<1>,2|C<3>,2|C<4>}	N[6x6](Ga[5x6]N[5x6]N[6,6]H)3(H){4|Ga<4>,3|C<3>,3|C<4>}	99.9640	0.234	7	99.9640	0.055	7	99.9640	0.055	7	99.9640	0.055	7	99.9640	0.055	7	103.3739	10.333	20
943	854	854	6:SP-NON_SP3_SP3	Ga[6]	N[6]	N[6]	4:4:1:1:	4:4:4:1:	4:4:4:1:	N[6]-4:N[6]-4:H-1:H-1:	Ga[6]-4:Ga[6]-4:C-4:H-1:	Ga[6]-4:Ga[6]-4:C-4:H-1:	Ga[6](N[6]Ga[6]CH)2(H)2	N[6](Ga[6]N[6]HH)2(CH3)(H)	N[6](Ga[6]N[6]HH)2(CH3)(H)	Ga[6](N[6]Ga[6]CH)2(H)2{1|N<4>,4|H<1>}	N[6](Ga[6]N[6]HH)2(CH3)(H){1|Ga<4>,2|C<4>,2|H<1>}	N[6](Ga[6]N[6]HH)2(CH3)(H){1|Ga<4>,2|C<4>,2|H<1>}	101.4613	0.463	3	101.4613	0.214	3	101.4613	0.214	3	101.4613	0.214	3	104.8350	13.826	6	103.3739	10.333	20
943	854	854	6:SP-NON_SP3_SP3	Ga[6]	N[6]	N[6]	4:4:1:1:	4:4:4:4:	4:4:4:4:	N[6]-4:N[6]-4:H-1:H-1:	Ga[6]-4:Ga[6]-4:C-4:C-4:	Ga[6]-4:Ga[6]-4:C-4:C-4:	Ga[6](N[6]Ga[6]CC)2(H)2	N[6](Ga[6]N[6]HH)2(CH3)2	N[6](Ga[6]N[6]HH)2(CH3)2	Ga[6](N[6]Ga[6]CC)2(H)2{1|N<4>,4|H<1>}	N[6](Ga[6]N[6]HH)2(CH3)2{1|Ga<4>,4|C<4>}	N[6](Ga[6]N[6]HH)2(CH3)2{1|Ga<4>,4|C<4>}	108.2087	0.455	3	108.2087	0.207	3	108.2087	0.207	3	108.2087	0.207	3	104.8350	13.826	6	103.3739	10.333	20
943	854	854	6:SP-NON_SP3_SP3	Ga[6x6]	N[5x6]	N[5x6]	4:4:4:1:	4:4:4:4:	4:4:4:4:	N[5x6]-4:N[5x6]-4:N[5x6]-4:H-1:	Ga[5x6]-4:Ga[6,6]-4:Ga[6x6]-4:C-4:	Ga[5x6]-4:Ga[6,6]-4:Ga[6x6]-4:C-4:	Ga[6x6](N[5x6]Ga[5x6]Ga[6,6]C)3(H)	N[5x6](Ga[5x6]N[6,6]N[6x6]H)(Ga[6,6]N[6,6]HH)(Ga[6x6]N[5x6]2H)(CH3)	N[5x6](Ga[5x6]N[6,6]N[6x6]H)(Ga[6,6]N[6,6]HH)(Ga[6x6]N[5x6]2H)(CH3)	Ga[6x6](N[5x6]Ga[5x6]Ga[6,6]C)3(H){1|N<4>,3|N<3>,9|H<1>}	N[5x6](Ga[5x6]N[6,6]N[6x6]H)(Ga[6,6]N[6,6]HH)(Ga[6x6]N[5x6]2H)(CH3){4|Ga<4>,1|H<1>,2|C<3>,2|C<4>}	N[5x6](Ga[5x6]N[6,6]N[6x6]H)(Ga[6,6]N[6,6]HH)(Ga[6x6]N[5x6]2H)(CH3){4|Ga<4>,1|H<1>,2|C<3>,2|C<4>}	105.5316	0.111	7	105.5316	0.012	7	105.5316	0.012	7	105.5316	0.012	7	105.5316	0.012	7	103.3739	10.333	20
943	854	856	6:SP-NON_SP2_SP3	Ga[5x6]	N[5x6]	N[6,6]	4:4:3:1:	4:4:4:4:	4:4:3:	N[5x6]-4:N[6x6]-4:N[6,6]-3:H-1:	Ga[5x6]-4:Ga[6,6]-4:Ga[6x6]-4:C-4:	Ga[5x6]-4:Ga[6,6]-4:C-3:	Ga[5x6](N[5x6]Ga[6,6]Ga[6x6]C)(N[6x6]Ga[5x6]2H)(N[6,6]Ga[6,6]C)(H)	N[5x6](Ga[5x6]N[6,6]N[6x6]H)(Ga[6,6]N[6,6]HH)(Ga[6x6]N[5x6]2H)(CH3)	N[6,6](Ga[5x6]N[5x6]N[6x6]H)(Ga[6,6]N[5x6]HH)(CNN)	Ga[5x6](N[5x6]Ga[6,6]Ga[6x6]C)(N[6x6]Ga[5x6]2H)(N[6,6]Ga[6,6]C)(H){2|N<3>,2|N<4>,7|H<1>}	N[5x6](Ga[5x6]N[6,6]N[6x6]H)(Ga[6,6]N[6,6]HH)(Ga[6x6]N[5x6]2H)(CH3){4|Ga<4>,1|H<1>,2|C<3>,2|C<4>}	N[6,6](Ga[5x6]N[5x6]N[6x6]H)(Ga[6,6]N[5x6]HH)(CNN){4|Ga<4>,1|H<1>,2|C<4>}	106.0817	0.558	3	106.0817	0.311	3	106.0817	0.311	3	106.0817	0.311	3	106.0817	0.311	3	105.2391	8.254	13
943	854	856	6:SP-NON_SP2_SP3	Ga[5x6]	N[6x6]	N[6,6]	4:4:3:1:	4:4:4:1:	4:4:3:	N[5x6]-4:N[6x6]-4:N[6,6]-3:H-1:	Ga[5x6]-4:Ga[5x6]-4:Ga[5x6]-4:H-1:	Ga[5x6]-4:Ga[6,6]-4:C-3:	Ga[5x6](N[5x6]Ga[6,6]Ga[6x6]C)(N[6x6]Ga[5x6]2H)(N[6,6]Ga[6,6]C)(H)	N[6x6](Ga[5x6]N[5x6]N[6,6]H)3(H)	N[6,6](Ga[5x6]N[5x6]N[6x6]H)(Ga[6,6]N[5x6]HH)(CNN)	Ga[5x6](N[5x6]Ga[6,6]Ga[6x6]C)(N[6x6]Ga[5x6]2H)(N[6,6]Ga[6,6]C)(H){2|N<3>,2|N<4>,7|H<1>}	N[6x6](Ga[5x6]N[5x6]N[6,6]H)3(H){4|Ga<4>,3|C<3>,3|C<4>}	N[6,6](Ga[5x6]N[5x6]N[6x6]H)(Ga[6,6]N[5x6]HH)(CNN){4|Ga<4>,1|H<1>,2|C<4>}	106.9693	0.779	7	106.9693	0.607	7	106.9693	0.607	7	106.9693	0.607	7	106.9693	0.607	7	105.2391	8.254	13
943	854	856	6:SP-NON_SP2_SP3	Ga[6,6]	N[5x6]	N[6,6]	4:3:1:1:	4:4:4:4:	4:4:3:	N[5x6]-4:N[6,6]-3:H-1:H-1:	Ga[5x6]-4:Ga[6,6]-4:Ga[6x6]-4:C-4:	Ga[5x6]-4:Ga[6,6]-4:C-3:	Ga[6,6](N[5x6]Ga[5x6]Ga[6x6]C)(N[6,6]Ga[5x6]C)(H)2	N[5x6](Ga[5x6]N[6,6]N[6x6]H)(Ga[6,6]N[6,6]HH)(Ga[6x6]N[5x6]2H)(CH3)	N[6,6](Ga[5x6]N[5x6]N[6x6]H)(Ga[6,6]N[5x6]HH)(CNN)	Ga[6,6](N[5x6]Ga[5x6]Ga[6x6]C)(N[6,6]Ga[5x6]C)(H)2{1|N<3>,3|H<1>,3|N<4>}	N[5x6](Ga[5x6]N[6,6]N[6x6]H)(Ga[6,6]N[6,6]HH)(Ga[6x6]N[5x6]2H)(CH3){4|Ga<4>,1|H<1>,2|C<3>,2|C<4>}	N[6,6](Ga[5x6]N[5x6]N[6x6]H)(Ga[6,6]N[5x6]HH)(CNN){4|Ga<4>,1|H<1>,2|C<4>}	100.3593	0.363	3	100.3593	0.132	3	100.3593	0.132	3	100.3593	0.132	3	100.3593	0.132	3	105.2391	8.254	13
943	854	951	0:SP-NON_SP-NON_SP3	Ga[5x6]	N[5x6]	H	4:4:3:1:	4:4:4:4:	4:	N[5x6]-4:N[6x6]-4:N[6,6]-3:H-1:	Ga[5x6]-4:Ga[6,6]-4:Ga[6x6]-4:C-4:	Ga[5x6]-4:	Ga[5x6](N[5x6]Ga[6,6]Ga[6x6]C)(N[6x6]Ga[5x6]2H)(N[6,6]Ga[6,6]C)(H)	N[5x6](Ga[5x6]N[6,6]N[6x6]H)(Ga[6,6]N[6,6]HH)(Ga[6x6]N[5x6]2H)(CH3)	H(Ga[5x6]N[5x6]N[6,6]N[6x6])	Ga[5x6](N[5x6]Ga[6,6]Ga[6x6]C)(N[6x6]Ga[5x6]2H)(N[6,6]Ga[6,6]C)(H){2|N<3>,2|N<4>,7|H<1>}	N[5x6](Ga[5x6]N[6,6]N[6x6]H)(Ga[6,6]N[6,6]HH)(Ga[6x6]N[5x6]2H)(CH3){4|Ga<4>,1|H<1>,2|C<3>,2|C<4>}	H(Ga[5x6]N[5x6]N[6,6]N[6x6])	114.3597	0.362	3	114.3597	0.131	3	114.3597	0.131	3	114.3597	0.131	3	114.3597	0.131	3	111.0497	8.368	39
943	854	951	0:SP-NON_SP-NON_SP3	Ga[5x6]	N[6x6]	H	4:4:3:1:	4:4:4:1:	4:	N[5x6]-4:N[6x6]-4:N[6,6]-3:H-1:	Ga[5x6]-4:Ga[5x6]-4:Ga[5x6]-4:H-1:	Ga[5x6]-4:	Ga[5x6](N[5x6]Ga[6,6]Ga[6x6]C)(N[6x6]Ga[5x6]2H)(N[6,6]Ga[6,6]C)(H)	N[6x6](Ga[5x6]N[5x6]N[6,6]H)3(H)	H(Ga[5x6]N[5x6]N[6,6]N[6x6])	Ga[5x6](N[5x6]Ga[6,6]Ga[6x6]C)(N[6x6]Ga[5x6]2H)(N[6,6]Ga[6,6]C)(H){2|N<3>,2|N<4>,7|H<1>}	N[6x6](Ga[5x6]N[5x6]N[6,6]H)3(H){4|Ga<4>,3|C<3>,3|C<4>}	H(Ga[5x6]N[5x6]N[6,6]N[6x6])	114.1782	0.190	5	114.1782	0.036	5	114.1782	0.036	5	114.1782	0.036	5	114.1782	0.036	5	111.0497	8.368	39
943	854	951	0:SP-NON_SP-NON_SP3	Ga[6,6]	N[5x6]	H	4:3:1:1:	4:4:4:4:	4:	N[5x6]-4:N[6,6]-3:H-1:H-1:	Ga[5x6]-4:Ga[6,6]-4:Ga[6x6]-4:C-4:	Ga[6,6]-4:	Ga[6,6](N[5x6]Ga[5x6]Ga[6x6]C)(N[6,6]Ga[5x6]C)(H)2	N[5x6](Ga[5x6]N[6,6]N[6x6]H)(Ga[6,6]N[6,6]HH)(Ga[6x6]N[5x6]2H)(CH3)	H(Ga[6,6]N[5x6]N[6,6]H)	Ga[6,6](N[5x6]Ga[5x6]Ga[6x6]C)(N[6,6]Ga[5x6]C)(H)2{1|N<3>,3|H<1>,3|N<4>}	N[5x6](Ga[5x6]N[6,6]N[6x6]H)(Ga[6,6]N[6,6]HH)(Ga[6x6]N[5x6]2H)(CH3){4|Ga<4>,1|H<1>,2|C<3>,2|C<4>}	H(Ga[6,6]N[5x6]N[6,6]H)	111.6474	0.299	5	111.6474	0.089	5	111.6474	0.089	5	111.6474	0.089	5	111.6474	0.089	5	111.0497	8.368	39
943	854	951	0:SP-NON_SP-NON_SP3	Ga[6]	N[6]	H	4:4:1:1:	4:4:4:1:	4:	N[6]-4:N[6]-4:H-1:H-1:	Ga[6]-4:Ga[6]-4:C-4:H-1:	Ga[6]-4:	Ga[6](N[6]Ga[6]CH)2(H)2	N[6](Ga[6]N[6]HH)2(CH3)(H)	H(Ga[6]N[6]2H)	Ga[6](N[6]Ga[6]CH)2(H)2{1|N<4>,4|H<1>}	N[6](Ga[6]N[6]HH)2(CH3)(H){1|Ga<4>,2|C<4>,2|H<1>}	H(Ga[6]N[6]2H)	111.4567	0.095	7	111.4567	0.009	7	111.4567	0.009	7	111.4567	0.009	7	108.7652	5.718	19	111.0497	8.368	39
943	854	951	0:SP-NON_SP-NON_SP3	Ga[6]	N[6]	H	4:4:1:1:	4:4:4:4:	4:	N[6]-4:N[6]-4:H-1:H-1:	Ga[6]-4:Ga[6]-4:C-4:C-4:	Ga[6]-4:	Ga[6](N[6]Ga[6]CC)2(H)2	N[6](Ga[6]N[6]HH)2(CH3)2	H(Ga[6]N[6]2H)	Ga[6](N[6]Ga[6]CC)2(H)2{1|N<4>,4|H<1>}	N[6](Ga[6]N[6]HH)2(CH3)2{1|Ga<4>,4|C<4>}	H(Ga[6]N[6]2H)	107.1951	1.432	12	107.1951	2.052	12	107.1951	2.052	12	107.1951	2.052	12	108.7652	5.718	19	111.0497	8.368	39
943	854	951	0:SP-NON_SP-NON_SP3	Ga[6x6]	N[5x6]	H	4:4:4:1:	4:4:4:4:	4:	N[5x6]-4:N[5x6]-4:N[5x6]-4:H-1:	Ga[5x6]-4:Ga[6,6]-4:Ga[6x6]-4:C-4:	Ga[6x6]-4:	Ga[6x6](N[5x6]Ga[5x6]Ga[6,6]C)3(H)	N[5x6](Ga[5x6]N[6,6]N[6x6]H)(Ga[6,6]N[6,6]HH)(Ga[6x6]N[5x6]2H)(CH3)	H(Ga[6x6]N[5x6]3)	Ga[6x6](N[5x6]Ga[5x6]Ga[6,6]C)3(H){1|N<4>,3|N<3>,9|H<1>}	N[5x6](Ga[5x6]N[6,6]N[6x6]H)(Ga[6,6]N[6,6]HH)(Ga[6x6]N[5x6]2H)(CH3){4|Ga<4>,1|H<1>,2|C<3>,2|C<4>}	H(Ga[6x6]N[5x6]3)	113.1707	0.096	7	113.1707	0.009	7	113.1707	0.009	7	113.1707	0.009	7	113.1707	0.009	7	111.0497	8.368	39
943	856	856	0:SP-NON_SP2_SP2	Ga[4x6]	N[6]	N[6,6]	3:3:3:3:	4:3:3:	4:3:4:	N[3x6]-3:N[6,6]-3:N[6,6]-3:N[6]-3:	Ga[4x6]-4:C[6]-3:C[6a]-3:	Ga[4x6]-4:C[6]-3:Ga[6]-4:	Ga[4x6](N[3x6]Ga[6,6]C[6])(N[6,6]Ga[6]C[6])2(N[6]C[6a]C[6])	N[6](Ga[4x6]N[3x6]N[6,6]2)(C[6]C[6a]N[6])(C[6a]C[6a]2)	N[6,6](Ga[4x6]N[3x6]N[6,6]N[6])(C[6]C[6a]N[6])(Ga[6]N[6]CC)	Ga[4x6](N[3x6]Ga[6,6]C[6])(N[6,6]Ga[6]C[6])2(N[6]C[6a]C[6]){4|N<3>,5|C<4>,6|C<3>}	N[6](Ga[4x6]N[3x6]N[6,6]2)(C[6]C[6a]N[6])(C[6a]C[6a]2){3|Ga<4>,3|H<1>,7|C<3>}	N[6,6](Ga[4x6]N[3x6]N[6,6]N[6])(C[6]C[6a]N[6])(Ga[6]N[6]CC){2|Ga<4>,8|C<3>}	108.9225	3.041	2	108.9225	9.249	2	108.9225	9.249	2	108.9225	9.249	2	108.9225	9.249	2	104.0660	13.492	8
943	856	856	0:SP-NON_SP2_SP2	Ga[6,6]	N[6]	N[6]	3:3:3:4:	4:3:3:	4:3:1:	N[3x6]-3:N[6]-3:N[6]-3:C-4:	Ga[6,6]-4:C[6]-3:C[6a]-3:	Ga[6,6]-4:C[6]-3:H-1:	Ga[6,6](N[3x6]Ga[4x6]C[6])(N[6]C[6a]C[6])(N[6]C[6]H)(CH3)	N[6](Ga[6,6]N[3x6]N[6]C)(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	N[6](Ga[6,6]N[3x6]N[6]C)(C[6]C[6a]N[6])(H)	Ga[6,6](N[3x6]Ga[4x6]C[6])(N[6]C[6a]C[6])(N[6]C[6]H)(CH3){4|N<3>,5|C<3>}	N[6](Ga[6,6]N[3x6]N[6]C)(C[6]N[6,6]C[6a])(C[6a]C[6a]2){2|Ga<4>,3|H<1>,6|C<3>}	N[6](Ga[6,6]N[3x6]N[6]C)(C[6]C[6a]N[6])(H){1|Ga<4>,6|C<3>}	100.8820	0.000	1	100.8820	0.000	1	100.8820	0.000	1	102.6420	3.034	3	102.6420	3.034	3	104.0660	13.492	8
943	856	856	0:SP-NON_SP2_SP2	Ga[6,6]	N[6]	N[6]	3:3:3:4:	4:3:3:	4:3:1:	N[6,6]-3:N[6]-3:N[6]-3:C-4:	Ga[6,6]-4:C[6a]-3:C[6]-3:	Ga[6,6]-4:C[6]-3:H-1:	Ga[6,6](N[6,6]Ga[6,6]C)(N[6]C[6a]C[6])(N[6]C[6]H)(CH3)	N[6](Ga[6,6]N[6,6]N[6]C)(C[6a]C[6a]2)(C[6]N[6]C)	N[6](Ga[6,6]N[6,6]N[6]C)(C[6]N[6]C)(H)	Ga[6,6](N[6,6]Ga[6,6]C)(N[6]C[6a]C[6])(N[6]C[6]H)(CH3){2|C<3>,2|N<3>,3|C<4>}	N[6](Ga[6,6]N[6,6]N[6]C)(C[6a]C[6a]2)(C[6]N[6]C){1|Ga<4>,2|C<4>,2|H<1>,4|C<3>}	N[6](Ga[6,6]N[6,6]N[6]C)(C[6]N[6]C)(H){1|Ga<4>,4|C<3>}	103.5220	1.192	2	103.5220	1.421	2	103.5220	1.421	2	102.6420	3.034	3	102.6420	3.034	3	104.0660	13.492	8
943	856	856	0:SP-NON_SP2_SP2	Ga[6]	N[6]	N[6]	2:2:3:3:	4:3:3:	4:3:3:	S[6]-2:S[6]-2:N[6]-3:N[6]-3:	Ga[6]-4:C[6]-3:C[6]-3:	Ga[6]-4:C[6]-3:C[6]-3:	Ga[6](S[6]Ga[6,6])2(N[6]C[6]2)2	N[6](Ga[6]N[6]S[6]2)(C[6]C[6]H)2	N[6](Ga[6]N[6]S[6]2)(C[6]C[6]H)2	Ga[6](S[6]Ga[6,6])2(N[6]C[6]2)2{2|N<3>,3|S<2>,4|C<3>,4|H<1>}	N[6](Ga[6]N[6]S[6]2)(C[6]C[6]H)2{2|Ga<4>,2|H<1>,3|C<3>}	N[6](Ga[6]N[6]S[6]2)(C[6]C[6]H)2{2|Ga<4>,2|H<1>,3|C<3>}	105.4150	0.000	1	105.4150	0.000	1	105.4150	0.000	1	105.4150	0.000	1	102.2522	8.001	3	104.0660	13.492	8
943	856	856	0:SP-NON_SP2_SP2	Ga[6]	N[6]	N[6]	3:3:3:2:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:N[6]-3:P-2:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:C[6]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(N[6]C[6]2)(PGa[5])	N[6](Ga[6]N[6]2P)(C[6a]C[6a]2)(C[6]C[6]C)	N[6](Ga[6]N[6]2P)(C[6]C[6]H)2	Ga[6](N[6]C[6a]C[6])2(N[6]C[6]2)(PGa[5]){2|C<4>,2|H<1>,7|C<3>}	N[6](Ga[6]N[6]2P)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	N[6](Ga[6]N[6]2P)(C[6]C[6]H)2{2|H<1>,5|C<3>}	100.6708	0.999	2	100.6708	0.997	2	100.6708	0.997	2	100.6708	0.997	2	102.2522	8.001	3	104.0660	13.492	8
943	856	856	6:SP-NON_SP2_SP2	Ga[4x6]	N[3x6]	N[6,6]	3:3:3:3:	4:4:3:	4:3:4:	N[3x6]-3:N[6,6]-3:N[6,6]-3:N[6]-3:	Ga[4x6]-4:Ga[6,6]-4:C[6]-3:	Ga[4x6]-4:C[6]-3:Ga[6]-4:	Ga[4x6](N[3x6]Ga[6,6]C[6])(N[6,6]Ga[6]C[6])2(N[6]C[6a]C[6])	N[3x6](Ga[4x6]N[6,6]2N[6])(Ga[6,6]N[6]2C)(C[6]C[6a]N[6])	N[6,6](Ga[4x6]N[3x6]N[6,6]N[6])(C[6]C[6a]N[6])(Ga[6]N[6]CC)	Ga[4x6](N[3x6]Ga[6,6]C[6])(N[6,6]Ga[6]C[6])2(N[6]C[6a]C[6]){4|N<3>,5|C<4>,6|C<3>}	N[3x6](Ga[4x6]N[6,6]2N[6])(Ga[6,6]N[6]2C)(C[6]C[6a]N[6]){2|Ga<4>,1|H<1>,8|C<3>}	N[6,6](Ga[4x6]N[3x6]N[6,6]N[6])(C[6]C[6a]N[6])(Ga[6]N[6]CC){2|Ga<4>,8|C<3>}	108.0900	3.444	2	108.0900	11.858	2	108.0900	11.858	2	108.0900	11.858	2	108.0900	11.858	2	97.5385	28.284	41
943	856	856	6:SP-NON_SP2_SP2	Ga[4x6]	N[3x6]	N[6]	3:3:3:3:	4:4:3:	4:3:3:	N[3x6]-3:N[6,6]-3:N[6,6]-3:N[6]-3:	Ga[4x6]-4:Ga[6,6]-4:C[6]-3:	Ga[4x6]-4:C[6]-3:C[6a]-3:	Ga[4x6](N[3x6]Ga[6,6]C[6])(N[6,6]Ga[6]C[6])2(N[6]C[6a]C[6])	N[3x6](Ga[4x6]N[6,6]2N[6])(Ga[6,6]N[6]2C)(C[6]C[6a]N[6])	N[6](Ga[4x6]N[3x6]N[6,6]2)(C[6]C[6a]N[6])(C[6a]C[6a]2)	Ga[4x6](N[3x6]Ga[6,6]C[6])(N[6,6]Ga[6]C[6])2(N[6]C[6a]C[6]){4|N<3>,5|C<4>,6|C<3>}	N[3x6](Ga[4x6]N[6,6]2N[6])(Ga[6,6]N[6]2C)(C[6]C[6a]N[6]){2|Ga<4>,1|H<1>,8|C<3>}	N[6](Ga[4x6]N[3x6]N[6,6]2)(C[6]C[6a]N[6])(C[6a]C[6a]2){3|Ga<4>,3|H<1>,7|C<3>}	106.9000	0.000	1	106.9000	0.000	1	106.9000	0.000	1	106.9000	0.000	1	106.9000	0.000	1	97.5385	28.284	41
943	856	856	6:SP-NON_SP2_SP2	Ga[4x6]	N[6,6]	N[6,6]	3:3:3:3:	4:3:4:	4:3:4:	N[3x6]-3:N[6,6]-3:N[6,6]-3:N[6]-3:	Ga[4x6]-4:C[6]-3:Ga[6]-4:	Ga[4x6]-4:C[6]-3:Ga[6]-4:	Ga[4x6](N[3x6]Ga[6,6]C[6])(N[6,6]Ga[6]C[6])2(N[6]C[6a]C[6])	N[6,6](Ga[4x6]N[3x6]N[6,6]N[6])(C[6]C[6a]N[6])(Ga[6]N[6]CC)	N[6,6](Ga[4x6]N[3x6]N[6,6]N[6])(C[6]C[6a]N[6])(Ga[6]N[6]CC)	Ga[4x6](N[3x6]Ga[6,6]C[6])(N[6,6]Ga[6]C[6])2(N[6]C[6a]C[6]){4|N<3>,5|C<4>,6|C<3>}	N[6,6](Ga[4x6]N[3x6]N[6,6]N[6])(C[6]C[6a]N[6])(Ga[6]N[6]CC){2|Ga<4>,8|C<3>}	N[6,6](Ga[4x6]N[3x6]N[6,6]N[6])(C[6]C[6a]N[6])(Ga[6]N[6]CC){2|Ga<4>,8|C<3>}	115.4290	0.000	1	115.4290	0.000	1	115.4290	0.000	1	115.4290	0.000	1	115.4290	0.000	1	97.5385	28.284	41
943	856	856	6:SP-NON_SP2_SP2	Ga[6,6]	N[3x6]	N[6]	3:3:3:4:	4:4:3:	4:3:1:	N[3x6]-3:N[6]-3:N[6]-3:C-4:	Ga[4x6]-4:Ga[6,6]-4:C[6]-3:	Ga[6,6]-4:C[6]-3:H-1:	Ga[6,6](N[3x6]Ga[4x6]C[6])(N[6]C[6a]C[6])(N[6]C[6]H)(CH3)	N[3x6](Ga[4x6]N[6,6]2N[6])(Ga[6,6]N[6]2C)(C[6]C[6a]N[6])	N[6](Ga[6,6]N[3x6]N[6]C)(C[6]C[6a]N[6])(H)	Ga[6,6](N[3x6]Ga[4x6]C[6])(N[6]C[6a]C[6])(N[6]C[6]H)(CH3){4|N<3>,5|C<3>}	N[3x6](Ga[4x6]N[6,6]2N[6])(Ga[6,6]N[6]2C)(C[6]C[6a]N[6]){2|Ga<4>,1|H<1>,8|C<3>}	N[6](Ga[6,6]N[3x6]N[6]C)(C[6]C[6a]N[6])(H){1|Ga<4>,6|C<3>}	98.5305	0.000	1	98.5305	0.000	1	98.5305	0.000	1	98.5305	0.000	1	100.6252	8.776	2	97.5385	28.284	41
943	856	856	6:SP-NON_SP2_SP2	Ga[6,6]	N[3x6]	N[6]	3:3:3:4:	4:4:3:	4:3:3:	N[3x6]-3:N[6]-3:N[6]-3:C-4:	Ga[4x6]-4:Ga[6,6]-4:C[6]-3:	Ga[6,6]-4:C[6]-3:C[6a]-3:	Ga[6,6](N[3x6]Ga[4x6]C[6])(N[6]C[6a]C[6])(N[6]C[6]H)(CH3)	N[3x6](Ga[4x6]N[6,6]2N[6])(Ga[6,6]N[6]2C)(C[6]C[6a]N[6])	N[6](Ga[6,6]N[3x6]N[6]C)(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	Ga[6,6](N[3x6]Ga[4x6]C[6])(N[6]C[6a]C[6])(N[6]C[6]H)(CH3){4|N<3>,5|C<3>}	N[3x6](Ga[4x6]N[6,6]2N[6])(Ga[6,6]N[6]2C)(C[6]C[6a]N[6]){2|Ga<4>,1|H<1>,8|C<3>}	N[6](Ga[6,6]N[3x6]N[6]C)(C[6]N[6,6]C[6a])(C[6a]C[6a]2){2|Ga<4>,3|H<1>,6|C<3>}	102.7200	0.000	1	102.7200	0.000	1	102.7200	0.000	1	102.7200	0.000	1	100.6252	8.776	2	97.5385	28.284	41
943	856	856	6:SP-NON_SP2_SP2	Ga[6]	N[6,6]	N[6,6]	3:3:1:1:	4:3:3:	4:3:3:	N[6,6]-3:N[6,6]-3:Cl-1:Cl-1:	Ga[6]-4:C[6,6]-3:C[6]-3:	Ga[6]-4:C[6,6]-3:C[6]-3:	Ga[6](N[6,6]C[6,6]C[6])2(Cl)2	N[6,6](Ga[6]N[6,6]Cl2)(C[6,6]C[6]2)(C[6]C[6]H)	N[6,6](Ga[6]N[6,6]Cl2)(C[6,6]C[6]2)(C[6]C[6]H)	Ga[6](N[6,6]C[6,6]C[6])2(Cl)2{1|C<4>,2|H<1>,4|C<3>}	N[6,6](Ga[6]N[6,6]Cl2)(C[6,6]C[6]2)(C[6]C[6]H){3|C<3>,4|H<1>}	N[6,6](Ga[6]N[6,6]Cl2)(C[6,6]C[6]2)(C[6]C[6]H){3|C<3>,4|H<1>}	93.1521	0.000	1	93.1521	0.000	1	93.1521	0.000	1	93.1521	0.000	1	93.1521	0.000	1	97.5385	28.284	41
943	856	856	6:SP-NON_SP2_SP2	Ga[6]	N[6,6]	N[6]	3:3:4:4:	4:3:4:	3:4:3:	N[6,6]-3:N[6]-3:C-4:C-4:	Ga[4x6]-4:C[6]-3:Ga[6]-4:	C[6]-3:Ga[6]-4:C[6a]-3:	Ga[6](N[6,6]Ga[4x6]C[6])(N[6]C[6a]C[6])(CH3)2	N[6,6](Ga[4x6]N[3x6]N[6,6]N[6])(C[6]C[6a]N[6])(Ga[6]N[6]CC)	N[6](C[6]N[3x6]C[6a])(Ga[6]N[6,6]CC)(C[6a]C[6a]2)	Ga[6](N[6,6]Ga[4x6]C[6])(N[6]C[6a]C[6])(CH3)2{4|C<3>,4|N<3>}	N[6,6](Ga[4x6]N[3x6]N[6,6]N[6])(C[6]C[6a]N[6])(Ga[6]N[6]CC){2|Ga<4>,8|C<3>}	N[6](C[6]N[3x6]C[6a])(Ga[6]N[6,6]CC)(C[6a]C[6a]2){2|Ga<4>,2|H<1>,5|C<3>}	97.2908	0.000	1	97.2908	0.000	1	98.7224	4.099	2	98.7224	4.099	2	98.3719	2.418	3	97.5385	28.284	41
943	856	856	6:SP-NON_SP2_SP2	Ga[6]	N[6,6]	N[6]	3:3:4:4:	4:3:4:	3:4:3:	N[6,6]-3:N[6]-3:C-4:C-4:	Ga[4x6]-4:C[6]-3:Ga[6]-4:	C[6]-3:Ga[6]-4:C[6a]-3:	Ga[6](N[6,6]Ga[4x6]C[6])(N[6]C[6a]C[6])(CH3)2	N[6,6](Ga[4x6]N[3x6]N[6,6]N[6])(C[6]C[6a]N[6])(Ga[6]N[6]CC)	N[6](C[6]N[6,6]C[6a])(Ga[6]N[6,6]CC)(C[6a]C[6a]2)	Ga[6](N[6,6]Ga[4x6]C[6])(N[6]C[6a]C[6])(CH3)2{4|C<3>,4|N<3>}	N[6,6](Ga[4x6]N[3x6]N[6,6]N[6])(C[6]C[6a]N[6])(Ga[6]N[6]CC){2|Ga<4>,8|C<3>}	N[6](C[6]N[6,6]C[6a])(Ga[6]N[6,6]CC)(C[6a]C[6a]2){2|Ga<4>,2|H<1>,5|C<3>}	100.1540	0.000	1	100.1540	0.000	1	98.7224	4.099	2	98.7224	4.099	2	98.3719	2.418	3	97.5385	28.284	41
943	856	856	6:SP-NON_SP2_SP2	Ga[6]	N[6,6]	N[6]	3:3:4:4:	4:3:4:	4:3:3:	N[6,6]-3:N[6]-3:C-4:C-4:	Ga[6,6]-4:C[6]-3:Ga[6]-4:	Ga[6]-4:C[6]-3:C[6a]-3:	Ga[6](N[6,6]Ga[6,6]C[6])(N[6]C[6a]C[6])(CH3)2	N[6,6](Ga[6,6]O[6,6]N[6]C)(C[6]C[6a]N[6])(Ga[6]N[6]CC)	N[6](Ga[6]N[6,6]CC)(C[6]C[6a]N[6])(C[6a]C[6a]2)	Ga[6](N[6,6]Ga[6,6]C[6])(N[6]C[6a]C[6])(CH3)2{1|C<4>,1|N<2>,1|N<3>,1|O<3>,4|C<3>}	N[6,6](Ga[6,6]O[6,6]N[6]C)(C[6]C[6a]N[6])(Ga[6]N[6]CC){2|Ga<4>,5|C<3>}	N[6](Ga[6]N[6,6]CC)(C[6]C[6a]N[6])(C[6a]C[6a]2){1|Ga<4>,2|C<4>,5|C<3>}	97.6708	0.000	1	97.6708	0.000	1	97.6708	0.000	1	97.6708	0.000	1	98.3719	2.418	3	97.5385	28.284	41
943	856	856	6:SP-NON_SP2_SP2	Ga[6]	N[6]	N[6]	3:3:1:1:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:Cl-1:Cl-1:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(Cl)2	N[6](Ga[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C)	N[6](Ga[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(Cl)2{2|C<4>,5|C<3>}	N[6](Ga[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	N[6](Ga[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	100.3990	0.000	1	100.3990	0.000	1	98.8237	4.963	2	98.9665	2.543	3	95.8403	11.525	31	97.5385	28.284	41
943	856	856	6:SP-NON_SP2_SP2	Ga[6]	N[6]	N[6]	3:3:1:1:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:Cl-1:Cl-1:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(Cl)2	N[6](Ga[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]H)	N[6](Ga[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]H)	Ga[6](N[6]C[6a]C[6])2(Cl)2{2|H<1>,5|C<3>}	N[6](Ga[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,5|C<3>}	N[6](Ga[6]N[6]Cl2)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,5|C<3>}	97.2484	0.000	1	97.2484	0.000	1	98.8237	4.963	2	98.9665	2.543	3	95.8403	11.525	31	97.5385	28.284	41
943	856	856	6:SP-NON_SP2_SP2	Ga[6]	N[6]	N[6]	3:3:1:1:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:I-1:I-1:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(I)2	N[6](Ga[6]N[6]II)(C[6a]C[6a]2)(C[6]C[6]C)	N[6](Ga[6]N[6]II)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(I)2{2|C<4>,5|C<3>}	N[6](Ga[6]N[6]II)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	N[6](Ga[6]N[6]II)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	99.2521	0.000	1	99.2521	0.000	1	99.2521	0.000	1	98.9665	2.543	3	95.8403	11.525	31	97.5385	28.284	41
943	856	856	6:SP-NON_SP2_SP2	Ga[6]	N[6]	N[6]	3:3:1:1:	4:4:3:	4:4:3:	N[6]-3:N[6]-3:I-1:I-1:	P[6]-4:Ga[6]-4:C[6a]-3:	P[6]-4:Ga[6]-4:C[6a]-3:	Ga[6](N[6]C[6a]P[6])2(I)2	N[6](P[6]C[6a]2C[6])(Ga[6]N[6]II)(C[6a]C[6a]2)	N[6](P[6]C[6a]2C[6])(Ga[6]N[6]II)(C[6a]C[6a]2)	Ga[6](N[6]C[6a]P[6])2(I)2{9|C<3>}	N[6](P[6]C[6a]2C[6])(Ga[6]N[6]II)(C[6a]C[6a]2){1|H<1>,1|P<4>,2|C<4>,7|C<3>}	N[6](P[6]C[6a]2C[6])(Ga[6]N[6]II)(C[6a]C[6a]2){1|H<1>,1|P<4>,2|C<4>,7|C<3>}	108.3350	0.000	1	108.3350	0.000	1	108.3350	0.000	1	108.3350	0.000	1	95.8403	11.525	31	97.5385	28.284	41
943	856	856	6:SP-NON_SP2_SP2	Ga[6]	N[6]	N[6]	3:3:2:1:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:O-2:Cl-1:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(OGa[6])(Cl)	N[6](Ga[6]N[6]ClO)(C[6a]C[6a]2)(C[6]C[6]C)	N[6](Ga[6]N[6]ClO)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(OGa[6])(Cl){2|C<4>,5|C<3>}	N[6](Ga[6]N[6]ClO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	N[6](Ga[6]N[6]ClO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	97.9761	0.000	1	97.9761	0.000	1	97.9761	0.000	1	97.4290	0.186	4	95.8403	11.525	31	97.5385	28.284	41
943	856	856	6:SP-NON_SP2_SP2	Ga[6]	N[6]	N[6]	3:3:2:1:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:O-2:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(OP)(H)	N[6](Ga[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C)	N[6](Ga[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(OP)(H){2|C<4>,5|C<3>}	N[6](Ga[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	N[6](Ga[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	97.1349	0.288	2	97.1349	0.083	2	97.2466	0.079	3	97.4290	0.186	4	95.8403	11.525	31	97.5385	28.284	41
943	856	856	6:SP-NON_SP2_SP2	Ga[6]	N[6]	N[6]	3:3:2:1:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:O-2:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(OS)(H)	N[6](Ga[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C)	N[6](Ga[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(OS)(H){2|C<4>,5|C<3>}	N[6](Ga[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	N[6](Ga[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	97.4700	0.000	1	97.4700	0.000	1	97.2466	0.079	3	97.4290	0.186	4	95.8403	11.525	31	97.5385	28.284	41
943	856	856	6:SP-NON_SP2_SP2	Ga[6]	N[6]	N[6]	3:3:2:2:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:O-2:O-2:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(OGa[6])(OH)	N[6](Ga[6]N[6]OO)(C[6a]C[6a]2)(C[6]C[6]C)	N[6](Ga[6]N[6]OO)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(OGa[6])(OH){2|C<4>,5|C<3>}	N[6](Ga[6]N[6]OO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	N[6](Ga[6]N[6]OO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	96.6913	0.000	1	96.6913	0.000	1	96.6913	0.000	1	96.6913	0.000	1	95.8403	11.525	31	97.5385	28.284	41
943	856	856	6:SP-NON_SP2_SP2	Ga[6]	N[6]	N[6]	3:3:3:1:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:Ga-3:I-1:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(GaGaI)(I)	N[6](Ga[6]N[6]GaI)(C[6a]C[6a]2)(C[6]C[6]C)	N[6](Ga[6]N[6]GaI)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(GaGaI)(I){2|C<4>,5|C<3>}	N[6](Ga[6]N[6]GaI)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	N[6](Ga[6]N[6]GaI)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	93.9170	0.000	1	93.9170	0.000	1	93.9170	0.000	1	94.8214	1.636	2	95.8403	11.525	31	97.5385	28.284	41
943	856	856	6:SP-NON_SP2_SP2	Ga[6]	N[6]	N[6]	3:3:3:1:	4:3:3:	4:3:3:	P[5,5]-3:N[6]-3:N[6]-3:Cl-1:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](P[5,5]P[3,5,5]P[3x5])(N[6]C[6a]C[6])2(Cl)	N[6](Ga[6]P[5,5]N[6]Cl)(C[6a]C[6a]2)(C[6]C[6]C)	N[6](Ga[6]P[5,5]N[6]Cl)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](P[5,5]P[3,5,5]P[3x5])(N[6]C[6a]C[6])2(Cl){1|Ga<4>,2|C<4>,3|P<3>,5|C<3>}	N[6](Ga[6]P[5,5]N[6]Cl)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|P<3>,4|C<3>}	N[6](Ga[6]P[5,5]N[6]Cl)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|P<3>,4|C<3>}	95.7259	0.000	1	95.7259	0.000	1	95.7259	0.000	1	94.8214	1.636	2	95.8403	11.525	31	97.5385	28.284	41
943	856	856	6:SP-NON_SP2_SP2	Ga[6]	N[6]	N[6]	3:3:3:2:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:N-3:N-2:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(NSi2)(NN)	N[6](Ga[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C)	N[6](Ga[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(NSi2)(NN){2|C<4>,5|C<3>}	N[6](Ga[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	N[6](Ga[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	98.2815	0.000	1	98.2815	0.000	1	98.2815	0.000	1	96.8298	3.694	4	95.8403	11.525	31	97.5385	28.284	41
943	856	856	6:SP-NON_SP2_SP2	Ga[6]	N[6]	N[6]	3:3:3:2:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:N-3:O-2:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(NCH)(OSi)	N[6](Ga[6]N[6]NO)(C[6a]C[6a]2)(C[6]C[6]C)	N[6](Ga[6]N[6]NO)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(NCH)(OSi){2|C<4>,5|C<3>}	N[6](Ga[6]N[6]NO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	N[6](Ga[6]N[6]NO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	95.5744	0.000	1	95.5744	0.000	1	95.5744	0.000	1	96.8298	3.694	4	95.8403	11.525	31	97.5385	28.284	41
943	856	856	6:SP-NON_SP2_SP2	Ga[6]	N[6]	N[6]	3:3:3:2:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:N[6]-3:P-2:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(N[6]C[6]2)(PGa[5])	N[6](Ga[6]N[6]2P)(C[6a]C[6a]2)(C[6]C[6]C)	N[6](Ga[6]N[6]2P)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(N[6]C[6]2)(PGa[5]){2|C<4>,2|H<1>,7|C<3>}	N[6](Ga[6]N[6]2P)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	N[6](Ga[6]N[6]2P)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	94.8110	0.000	1	94.8110	0.000	1	94.8110	0.000	1	96.8298	3.694	4	95.8403	11.525	31	97.5385	28.284	41
943	856	856	6:SP-NON_SP2_SP2	Ga[6]	N[6]	N[6]	3:3:3:2:	4:3:3:	4:3:3:	P[5,5]-3:N[6]-3:N[6]-3:O-2:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](P[5,5]P[3,5,5]P[3x5])(N[6]C[6a]C[6])2(OS)	N[6](Ga[6]P[5,5]N[6]O)(C[6a]C[6a]2)(C[6]C[6]C)	N[6](Ga[6]P[5,5]N[6]O)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](P[5,5]P[3,5,5]P[3x5])(N[6]C[6a]C[6])2(OS){1|Ga<4>,2|C<4>,3|P<3>,5|C<3>}	N[6](Ga[6]P[5,5]N[6]O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|P<3>,4|C<3>}	N[6](Ga[6]P[5,5]N[6]O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|P<3>,4|C<3>}	98.6525	0.000	1	98.6525	0.000	1	98.6525	0.000	1	96.8298	3.694	4	95.8403	11.525	31	97.5385	28.284	41
943	856	856	6:SP-NON_SP2_SP2	Ga[6]	N[6]	N[6]	3:3:3:4:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:As[4]-3:C[5]-4:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(As[4]As[4]2)(C[5]C[5]2C)	N[6](Ga[6]As[4]C[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	N[6](Ga[6]As[4]C[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(As[4]As[4]2)(C[5]C[5]2C){1|Ga<4>,4|C<4>,7|C<3>}	N[6](Ga[6]As[4]C[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|As<2>,1|H<1>,3|C<4>,6|C<3>}	N[6](Ga[6]As[4]C[5]N[6])(C[6a]C[6a]2)(C[6]C[6]C){2|As<2>,1|H<1>,3|C<4>,6|C<3>}	94.9911	0.000	1	94.9911	0.000	1	94.9911	0.000	1	93.6435	5.119	4	95.8403	11.525	31	97.5385	28.284	41
943	856	856	6:SP-NON_SP2_SP2	Ga[6]	N[6]	N[6]	3:3:3:4:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:C[6a]-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(CC[6a]HO)	N[6](Ga[6]C[6a]N[6]C)(C[6a]C[6a]2)(C[6]C[6]C)	N[6](Ga[6]C[6a]N[6]C)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(C[6a]C[6a]2)(CC[6a]HO){2|C<4>,2|F<1>,7|C<3>}	N[6](Ga[6]C[6a]N[6]C)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	N[6](Ga[6]C[6a]N[6]C)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	95.9681	0.000	1	95.9681	0.000	1	95.9681	0.000	1	93.6435	5.119	4	95.8403	11.525	31	97.5385	28.284	41
943	856	856	6:SP-NON_SP2_SP2	Ga[6]	N[6]	N[6]	3:3:3:4:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:In-3:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(InGa[6]C)(CCHH)	N[6](Ga[6]N[6]InC)(C[6a]C[6a]2)(C[6]C[6]C)	N[6](Ga[6]N[6]InC)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(InGa[6]C)(CCHH){2|C<4>,5|C<3>}	N[6](Ga[6]N[6]InC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	N[6](Ga[6]N[6]InC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	91.8075	1.182	2	91.8075	1.396	2	91.8075	1.396	2	93.6435	5.119	4	95.8403	11.525	31	97.5385	28.284	41
943	856	856	6:SP-NON_SP2_SP2	Ga[6]	N[6]	N[6]	3:3:4:1:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:C-4:Cl-1:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(CC3)(Cl)	N[6](Ga[6]N[6]ClC)(C[6a]C[6a]2)(C[6]C[6]C)	N[6](Ga[6]N[6]ClC)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(CC3)(Cl){2|C<4>,5|C<3>}	N[6](Ga[6]N[6]ClC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	N[6](Ga[6]N[6]ClC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	95.4483	0.000	1	95.4483	0.000	1	95.4483	0.000	1	96.1174	2.670	4	95.8403	11.525	31	97.5385	28.284	41
943	856	856	6:SP-NON_SP2_SP2	Ga[6]	N[6]	N[6]	3:3:4:1:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:Ga-4:I-1:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(GaGa[6]GaI)(I)	N[6](Ga[6]N[6]GaI)(C[6a]C[6a]2)(C[6]C[6]C)	N[6](Ga[6]N[6]GaI)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(GaGa[6]GaI)(I){2|C<4>,5|C<3>}	N[6](Ga[6]N[6]GaI)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	N[6](Ga[6]N[6]GaI)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	94.6972	0.000	1	94.6972	0.000	1	94.6972	0.000	1	96.1174	2.670	4	95.8403	11.525	31	97.5385	28.284	41
943	856	856	6:SP-NON_SP2_SP2	Ga[6]	N[6]	N[6]	3:3:4:1:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:P[6]-4:I-1:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(P[6]C[6]2Fe)(I)	N[6](Ga[6]N[6]P[6]I)(C[6a]C[6a]2)(C[6]C[6]C)	N[6](Ga[6]N[6]P[6]I)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(P[6]C[6]2Fe)(I){4|C<4>,7|C<3>}	N[6](Ga[6]N[6]P[6]I)(C[6a]C[6a]2)(C[6]C[6]C){1|Fe<11>,1|H<1>,4|C<3>,4|C<4>}	N[6](Ga[6]N[6]P[6]I)(C[6a]C[6a]2)(C[6]C[6]C){1|Fe<11>,1|H<1>,4|C<3>,4|C<4>}	95.8651	0.000	1	95.8651	0.000	1	95.8651	0.000	1	96.1174	2.670	4	95.8403	11.525	31	97.5385	28.284	41
943	856	856	6:SP-NON_SP2_SP2	Ga[6]	N[6]	N[6]	3:3:4:1:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:Si-4:Cl-1:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(SiCl3)(Cl)	N[6](Ga[6]N[6]ClSi)(C[6a]C[6a]2)(C[6]C[6]C)	N[6](Ga[6]N[6]ClSi)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(SiCl3)(Cl){2|C<4>,5|C<3>}	N[6](Ga[6]N[6]ClSi)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	N[6](Ga[6]N[6]ClSi)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	98.4590	0.000	1	98.4590	0.000	1	98.4590	0.000	1	96.1174	2.670	4	95.8403	11.525	31	97.5385	28.284	41
943	856	856	6:SP-NON_SP2_SP2	Ga[6]	N[6]	N[6]	3:3:4:4:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:C-4:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(CCHH)2	N[6](Ga[6]N[6]CC)(C[6a]C[6a]2)(C[6]C[6]C)	N[6](Ga[6]N[6]CC)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(CCHH)2{2|C<4>,5|C<3>}	N[6](Ga[6]N[6]CC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	N[6](Ga[6]N[6]CC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	93.7547	0.000	1	93.7547	0.000	1	93.7673	0.188	4	93.3393	1.057	5	95.8403	11.525	31	97.5385	28.284	41
943	856	856	6:SP-NON_SP2_SP2	Ga[6]	N[6]	N[6]	3:3:4:4:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:C-4:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(CH3)2	N[6](Ga[6]N[6]CC)(C[6a]C[6a]2)(C[6]C[6]C)	N[6](Ga[6]N[6]CC)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(CH3)2{2|C<4>,5|C<3>}	N[6](Ga[6]N[6]CC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	N[6](Ga[6]N[6]CC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	93.7714	0.531	3	93.7714	0.282	3	93.7673	0.188	4	93.3393	1.057	5	95.8403	11.525	31	97.5385	28.284	41
943	856	856	6:SP-NON_SP2_SP2	Ga[6]	N[6]	N[6]	3:3:4:4:	4:3:3:	4:3:3:	N[6]-3:N[6]-3:In-4:C-4:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6](N[6]C[6a]C[6])2(InC[5]CC)(CCHH)	N[6](Ga[6]N[6]InC)(C[6a]C[6a]2)(C[6]C[6]C)	N[6](Ga[6]N[6]InC)(C[6a]C[6a]2)(C[6]C[6]C)	Ga[6](N[6]C[6a]C[6])2(InC[5]CC)(CCHH){2|C<4>,5|C<3>}	N[6](Ga[6]N[6]InC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	N[6](Ga[6]N[6]InC)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	91.6274	0.000	1	91.6274	0.000	1	91.6274	0.000	1	93.3393	1.057	5	95.8403	11.525	31	97.5385	28.284	41
943	856	856	6:SP-NON_SP2_SP2	Ga[6]	N[6]	N[6]	3:3:4:4:	4:4:2:	4:4:2:	N[6]-3:N[6]-3:C-4:C-4:	Ga[6]-4:Ga[6]-4:N-2:	Ga[6]-4:Ga[6]-4:N-2:	Ga[6](N[6]Ga[6]N)2(CSiHH)2	N[6](Ga[6]N[6]CC)2(NN)	N[6](Ga[6]N[6]CC)2(NN)	Ga[6](N[6]Ga[6]N)2(CSiHH)2{1|N<3>,4|C<4>}	N[6](Ga[6]N[6]CC)2(NN){1|Ga<4>,2|N<2>}	N[6](Ga[6]N[6]CC)2(NN){1|Ga<4>,2|N<2>}	92.2353	1.957	3	92.2353	3.830	3	92.2353	3.830	3	92.2353	3.830	3	95.8403	11.525	31	97.5385	28.284	41
943	856	856	6:SP-NON_SP2_SP3	Ga[6,6]	N[6]	N[6,6]	3:3:3:4:	4:3:1:	4:4:3:	N[6,6]-3:N[6]-3:N[6]-3:C-4:	Ga[6,6]-4:C[6]-3:H-1:	Ga[6,6]-4:Ga[6,6]-4:C-3:	Ga[6,6](N[6,6]Ga[6,6]C)(N[6]C[6a]C[6])(N[6]C[6]H)(CH3)	N[6](Ga[6,6]N[6,6]N[6]C)(C[6]N[6]C)(H)	N[6,6](Ga[6,6]N[6]2C)2(CCN)	Ga[6,6](N[6,6]Ga[6,6]C)(N[6]C[6a]C[6])(N[6]C[6]H)(CH3){2|C<3>,2|N<3>,3|C<4>}	N[6](Ga[6,6]N[6,6]N[6]C)(C[6]N[6]C)(H){1|Ga<4>,4|C<3>}	N[6,6](Ga[6,6]N[6]2C)2(CCN){2|H<1>,4|C<3>}	100.8375	1.449	2	100.8375	2.099	2	100.8375	2.099	2	100.8375	2.099	2	101.6440	2.332	4	101.6440	2.332	4
943	856	856	6:SP-NON_SP2_SP3	Ga[6,6]	N[6]	N[6,6]	3:3:3:4:	4:3:3:	4:4:3:	N[6,6]-3:N[6]-3:N[6]-3:C-4:	Ga[6,6]-4:C[6a]-3:C[6]-3:	Ga[6,6]-4:Ga[6,6]-4:C-3:	Ga[6,6](N[6,6]Ga[6,6]C)(N[6]C[6a]C[6])(N[6]C[6]H)(CH3)	N[6](Ga[6,6]N[6,6]N[6]C)(C[6a]C[6a]2)(C[6]N[6]C)	N[6,6](Ga[6,6]N[6]2C)2(CCN)	Ga[6,6](N[6,6]Ga[6,6]C)(N[6]C[6a]C[6])(N[6]C[6]H)(CH3){2|C<3>,2|N<3>,3|C<4>}	N[6](Ga[6,6]N[6,6]N[6]C)(C[6a]C[6a]2)(C[6]N[6]C){1|Ga<4>,2|C<4>,2|H<1>,4|C<3>}	N[6,6](Ga[6,6]N[6]2C)2(CCN){2|H<1>,4|C<3>}	102.4505	1.515	2	102.4505	2.296	2	102.4505	2.296	2	102.4505	2.296	2	101.6440	2.332	4	101.6440	2.332	4
943	856	880	0:SP-NON_SP2_SP3	Ga[6]	N[6]	Si	3:3:4:1:	4:3:3:	4:1:1:1:	N[6]-3:N[6]-3:Si-4:Cl-1:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:Cl-1:Cl-1:Cl-1:	Ga[6](N[6]C[6a]C[6])2(SiCl3)(Cl)	N[6](Ga[6]N[6]ClSi)(C[6a]C[6a]2)(C[6]C[6]C)	Si(Ga[6]N[6]2Cl)(Cl)3	Ga[6](N[6]C[6a]C[6])2(SiCl3)(Cl){2|C<4>,5|C<3>}	N[6](Ga[6]N[6]ClSi)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Si(Ga[6]N[6]2Cl)(Cl)3	119.9630	0.000	1	119.9630	0.000	1	119.9630	0.000	1	119.9630	0.000	1	119.9630	0.000	1	119.9630	0.000	1
943	856	893	0:SP-NON_SP2_SP3	Ga[6]	N[6]	O	3:3:2:1:	4:3:3:	4:4:	N[6]-3:N[6]-3:O-2:Cl-1:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:Ga[6]-4:	Ga[6](N[6]C[6a]C[6])2(OGa[6])(Cl)	N[6](Ga[6]N[6]ClO)(C[6a]C[6a]2)(C[6]C[6]C)	O(Ga[6]N[6]2Cl)2	Ga[6](N[6]C[6a]C[6])2(OGa[6])(Cl){2|C<4>,5|C<3>}	N[6](Ga[6]N[6]ClO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	O(Ga[6]N[6]2Cl)2	113.8510	0.386	2	113.8510	0.149	2	113.8510	0.149	2	107.2015	22.202	8	107.2055	32.309	16	107.2055	32.309	16
943	856	893	0:SP-NON_SP2_SP3	Ga[6]	N[6]	O	3:3:2:1:	4:3:3:	4:4:	N[6]-3:N[6]-3:O-2:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:P-4:	Ga[6](N[6]C[6a]C[6])2(OP)(H)	N[6](Ga[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C)	O(Ga[6]N[6]2H)(PO3)	Ga[6](N[6]C[6a]C[6])2(OP)(H){2|C<4>,5|C<3>}	N[6](Ga[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	O(Ga[6]N[6]2H)(PO3)	105.5515	3.341	4	105.5515	11.160	4	105.5515	11.160	4	107.2015	22.202	8	107.2055	32.309	16	107.2055	32.309	16
943	856	893	0:SP-NON_SP2_SP3	Ga[6]	N[6]	O	3:3:2:1:	4:3:3:	4:4:	N[6]-3:N[6]-3:O-2:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:S-4:	Ga[6](N[6]C[6a]C[6])2(OS)(H)	N[6](Ga[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C)	O(Ga[6]N[6]2H)(SC[6a]OO)	Ga[6](N[6]C[6a]C[6])2(OS)(H){2|C<4>,5|C<3>}	N[6](Ga[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	O(Ga[6]N[6]2H)(SC[6a]OO)	103.8520	0.156	2	103.8520	0.024	2	103.8520	0.024	2	107.2015	22.202	8	107.2055	32.309	16	107.2055	32.309	16
943	856	893	0:SP-NON_SP2_SP3	Ga[6]	N[6]	O	3:3:2:2:	4:3:3:	4:1:	N[6]-3:N[6]-3:O-2:O-2:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:H-1:	Ga[6](N[6]C[6a]C[6])2(OGa[6])(OH)	N[6](Ga[6]N[6]OO)(C[6a]C[6a]2)(C[6]C[6]C)	O(Ga[6]N[6]2O)(H)	Ga[6](N[6]C[6a]C[6])2(OGa[6])(OH){2|C<4>,5|C<3>}	N[6](Ga[6]N[6]OO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	O(Ga[6]N[6]2O)(H)	109.5275	0.650	2	109.5275	0.422	2	109.5275	0.422	2	109.5275	0.422	2	107.2055	32.309	16	107.2055	32.309	16
943	856	893	0:SP-NON_SP2_SP3	Ga[6]	N[6]	O	3:3:2:2:	4:3:3:	4:4:	N[6]-3:N[6]-3:O-2:O-2:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:Ga[6]-4:	Ga[6](N[6]C[6a]C[6])2(OGa[6])(OH)	N[6](Ga[6]N[6]OO)(C[6a]C[6a]2)(C[6]C[6]C)	O(Ga[6]N[6]2O)2	Ga[6](N[6]C[6a]C[6])2(OGa[6])(OH){2|C<4>,5|C<3>}	N[6](Ga[6]N[6]OO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	O(Ga[6]N[6]2O)2	112.8415	0.712	2	112.8415	0.507	2	112.8415	0.507	2	112.8415	0.507	2	107.2055	32.309	16	107.2055	32.309	16
943	856	893	0:SP-NON_SP2_SP3	Ga[6]	N[6]	O	3:3:3:2:	4:3:3:	4:4:	N[6]-3:N[6]-3:N-3:O-2:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:Si-4:	Ga[6](N[6]C[6a]C[6])2(NCH)(OSi)	N[6](Ga[6]N[6]NO)(C[6a]C[6a]2)(C[6]C[6]C)	O(Ga[6]N[6]2N)(SiO3)	Ga[6](N[6]C[6a]C[6])2(NCH)(OSi){2|C<4>,5|C<3>}	N[6](Ga[6]N[6]NO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	O(Ga[6]N[6]2N)(SiO3)	110.1125	1.225	2	110.1125	1.502	2	110.1125	1.502	2	103.2345	63.635	4	107.2055	32.309	16	107.2055	32.309	16
943	856	893	0:SP-NON_SP2_SP3	Ga[6]	N[6]	O	3:3:3:2:	4:3:3:	4:4:	P[5,5]-3:N[6]-3:N[6]-3:O-2:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:S-4:	Ga[6](P[5,5]P[3,5,5]P[3x5])(N[6]C[6a]C[6])2(OS)	N[6](Ga[6]P[5,5]N[6]O)(C[6a]C[6a]2)(C[6]C[6]C)	O(Ga[6]P[5,5]N[6]2)(SCOO)	Ga[6](P[5,5]P[3,5,5]P[3x5])(N[6]C[6a]C[6])2(OS){1|Ga<4>,2|C<4>,3|P<3>,5|C<3>}	N[6](Ga[6]P[5,5]N[6]O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,2|P<3>,4|C<3>}	O(Ga[6]P[5,5]N[6]2)(SCOO)	96.3566	0.423	2	96.3566	0.179	2	96.3566	0.179	2	103.2345	63.635	4	107.2055	32.309	16	107.2055	32.309	16
943	856	914	0:SP-NON_SP2_SP2	Ga[6,6]	N[6]	N[6]	3:3:2:4:	4:3:3:	4:3:	O[6,6]-3:N[6]-3:N[6]-2:C-4:	Ga[6,6]-4:C[6]-3:C[6a]-3:	Ga[6,6]-4:C[6]-3:	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6]C[6a]C[6])(N[6]C[6])(CH3)	N[6](Ga[6,6]O[6,6]N[6]C)(C[6]N[6,6]C[6a])(C[6a]C[6a]2)	N[6](Ga[6,6]O[6,6]N[6]C)(C[6]C[6a]N[6])	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6]C[6a]C[6])(N[6]C[6])(CH3){1|N<2>,2|N<3>,3|C<4>,4|C<3>}	N[6](Ga[6,6]O[6,6]N[6]C)(C[6]N[6,6]C[6a])(C[6a]C[6a]2){3|Ga<4>,2|C<4>,5|C<3>}	N[6](Ga[6,6]O[6,6]N[6]C)(C[6]C[6a]N[6]){2|Ga<4>,5|C<3>}	104.0450	0.000	1	104.0450	0.000	1	104.0450	0.000	1	104.0450	0.000	1	104.0450	0.000	1	104.0450	0.000	1
943	856	914	6:SP-NON_SP2_SP2	Ga[6,6]	N[6,6]	N[6]	3:3:2:4:	4:3:4:	4:3:	O[6,6]-3:N[6,6]-3:N[6]-2:C-4:	Ga[6,6]-4:C[6]-3:Ga[6]-4:	Ga[6,6]-4:C[6]-3:	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6,6]Ga[6]C[6])(N[6]C[6])(CH3)	N[6,6](Ga[6,6]O[6,6]N[6]C)(C[6]C[6a]N[6])(Ga[6]N[6]CC)	N[6](Ga[6,6]N[6,6]O[6,6]C)(C[6]C[6a]N[6])	Ga[6,6](O[6,6]Ga[6,6]Ga[6])(N[6,6]Ga[6]C[6])(N[6]C[6])(CH3){1|N<2>,2|C<3>,3|N<3>,5|C<4>}	N[6,6](Ga[6,6]O[6,6]N[6]C)(C[6]C[6a]N[6])(Ga[6]N[6]CC){2|Ga<4>,5|C<3>}	N[6](Ga[6,6]N[6,6]O[6,6]C)(C[6]C[6a]N[6]){3|Ga<4>,4|C<3>}	100.4160	0.000	1	100.4160	0.000	1	100.4160	0.000	1	100.4160	0.000	1	100.4160	0.000	1	100.4160	0.000	1
943	856	924	0:SP-NON_SP-NON_SP2	Ga[6]	N[6]	Br	2:2:3:1:	4:3:3:	4:	Se[6]-2:Se[6]-2:N[6]-3:Br-1:	Ga[6]-4:C[6]-3:C[6]-3:	Ga[6]-4:	Ga[6](Se[6]Ga[6])2(N[6]C[6]2)(Br)	N[6](Ga[6]Se[6]2Br)(C[6]C[6]H)2	Br(Ga[6]Se[6]2N[6])	Ga[6](Se[6]Ga[6])2(N[6]C[6]2)(Br){1|Se<2>,2|Br<1>,2|C<3>,2|H<1>,2|N<3>}	N[6](Ga[6]Se[6]2Br)(C[6]C[6]H)2{2|Ga<4>,1|C<3>,2|C<4>}	Br(Ga[6]Se[6]2N[6])	100.4753	0.857	5	100.4753	0.734	5	100.4753	0.734	5	100.4753	0.734	5	100.6567	0.597	11	100.6567	0.597	11
943	856	924	0:SP-NON_SP-NON_SP2	Ga[6]	N[6]	Br	3:2:2:1:	4:3:3:	4:	N[6]-3:S[6]-2:S[6]-2:Br-1:	Ga[6]-4:C[6]-3:C[6]-3:	Ga[6]-4:	Ga[6](N[6]C[6]2)(S[6]Ga[6])2(Br)	N[6](Ga[6]S[6]2Br)(C[6]C[6]H)2	Br(Ga[6]N[6]S[6]2)	Ga[6](N[6]C[6]2)(S[6]Ga[6])2(Br){2|Br<1>,1|S<2>,2|C<3>,2|H<1>,2|N<3>}	N[6](Ga[6]S[6]2Br)(C[6]C[6]H)2{2|Ga<4>,1|C<3>,2|C<4>}	Br(Ga[6]N[6]S[6]2)	101.0213	0.681	3	100.8078	0.546	6	100.8078	0.546	6	100.8078	0.546	6	100.6567	0.597	11	100.6567	0.597	11
943	856	924	0:SP-NON_SP-NON_SP2	Ga[6]	N[6]	Br	3:2:2:1:	4:3:3:	4:	N[6]-3:S[6]-2:S[6]-2:Br-1:	Ga[6]-4:C[6]-3:C[6]-3:	Ga[6]-4:	Ga[6](N[6]C[6]2)(S[6]Ga[6])2(Br)	N[6](Ga[6]S[6]2Br)(C[6]C[6]H)2	Br(Ga[6]N[6]S[6]2)	Ga[6](N[6]C[6]2)(S[6]Ga[6])2(Br){2|Br<1>,1|S<2>,2|C<3>,2|H<1>,2|N<3>}	N[6](Ga[6]S[6]2Br)(C[6]C[6]H)2{2|Ga<4>,1|C<3>,2|H<1>}	Br(Ga[6]N[6]S[6]2)	100.5943	0.874	3	100.8078	0.546	6	100.8078	0.546	6	100.8078	0.546	6	100.6567	0.597	11	100.6567	0.597	11
943	856	940	0:SP-NON_SP-NON_SP2	Ga[6]	N[6]	P	3:3:3:2:	4:3:3:	4:3:	N[6]-3:N[6]-3:N[6]-3:P-2:	Ga[6]-4:C[6]-3:C[6]-3:	Ga[6]-4:Ga[5]-3:	Ga[6](N[6]C[6a]C[6])2(N[6]C[6]2)(PGa[5])	N[6](Ga[6]N[6]2P)(C[6]C[6]H)2	P(Ga[6]N[6]3)(Ga[5]N[5]2)	Ga[6](N[6]C[6a]C[6])2(N[6]C[6]2)(PGa[5]){2|C<4>,2|H<1>,7|C<3>}	N[6](Ga[6]N[6]2P)(C[6]C[6]H)2{2|H<1>,5|C<3>}	P(Ga[6]N[6]3)(Ga[5]N[5]2)	116.4450	0.000	1	116.4450	0.000	1	116.4450	0.000	1	118.6767	65.601	3	118.6767	65.601	3	118.6767	65.601	3
943	856	940	0:SP-NON_SP-NON_SP2	Ga[6]	N[6]	P	3:3:3:2:	4:3:3:	4:3:	N[6]-3:N[6]-3:N[6]-3:P-2:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:Ga[5]-3:	Ga[6](N[6]C[6a]C[6])2(N[6]C[6]2)(PGa[5])	N[6](Ga[6]N[6]2P)(C[6a]C[6a]2)(C[6]C[6]C)	P(Ga[6]N[6]3)(Ga[5]N[5]2)	Ga[6](N[6]C[6a]C[6])2(N[6]C[6]2)(PGa[5]){2|C<4>,2|H<1>,7|C<3>}	N[6](Ga[6]N[6]2P)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,6|C<3>}	P(Ga[6]N[6]3)(Ga[5]N[5]2)	119.7925	11.123	2	119.7925	123.732	2	119.7925	123.732	2	118.6767	65.601	3	118.6767	65.601	3	118.6767	65.601	3
943	856	941	0:SP-NON_SP2_SP2	Ga[6]	N[6]	N	3:3:3:2:	4:3:3:	4:2:	N[6]-3:N[6]-3:N-3:N-2:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:N-2:	Ga[6](N[6]C[6a]C[6])2(NSi2)(NN)	N[6](Ga[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C)	N(Ga[6]N[6]2N)(NN)	Ga[6](N[6]C[6a]C[6])2(NSi2)(NN){2|C<4>,5|C<3>}	N[6](Ga[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	N(Ga[6]N[6]2N)(NN)	104.5635	1.730	2	104.5635	2.994	2	104.5635	2.994	2	104.5635	2.994	2	104.5635	2.994	2	104.5635	2.994	2
943	856	944	0:SP-NON_SP-NON_SP2	Ga[6]	N[6]	I	3:3:1:1:	4:3:3:	4:	N[6]-3:N[6]-3:I-1:I-1:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:	Ga[6](N[6]C[6a]C[6])2(I)2	N[6](Ga[6]N[6]II)(C[6a]C[6a]2)(C[6]C[6]C)	I(Ga[6]N[6]2I)	Ga[6](N[6]C[6a]C[6])2(I)2{2|C<4>,5|C<3>}	N[6](Ga[6]N[6]II)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	I(Ga[6]N[6]2I)	111.9663	4.288	4	111.9663	18.386	4	111.9663	18.386	4	111.9663	18.386	4	108.1630	27.812	14	108.1630	27.812	14
943	856	944	0:SP-NON_SP-NON_SP2	Ga[6]	N[6]	I	3:3:1:1:	4:4:3:	4:	N[6]-3:N[6]-3:I-1:I-1:	P[6]-4:Ga[6]-4:C[6a]-3:	Ga[6]-4:	Ga[6](N[6]C[6a]P[6])2(I)2	N[6](P[6]C[6a]2C[6])(Ga[6]N[6]II)(C[6a]C[6a]2)	I(Ga[6]N[6]2I)	Ga[6](N[6]C[6a]P[6])2(I)2{9|C<3>}	N[6](P[6]C[6a]2C[6])(Ga[6]N[6]II)(C[6a]C[6a]2){1|H<1>,1|P<4>,2|C<4>,7|C<3>}	I(Ga[6]N[6]2I)	111.3918	4.016	4	111.3918	16.131	4	111.3918	16.131	4	111.3918	16.131	4	108.1630	27.812	14	108.1630	27.812	14
943	856	944	0:SP-NON_SP-NON_SP2	Ga[6]	N[6]	I	3:3:3:1:	4:3:3:	4:	N[6]-3:N[6]-3:Ga-3:I-1:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:	Ga[6](N[6]C[6a]C[6])2(GaGaI)(I)	N[6](Ga[6]N[6]GaI)(C[6a]C[6a]2)(C[6]C[6]C)	I(Ga[6]N[6]2Ga)	Ga[6](N[6]C[6a]C[6])2(GaGaI)(I){2|C<4>,5|C<3>}	N[6](Ga[6]N[6]GaI)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	I(Ga[6]N[6]2Ga)	103.3445	1.347	2	103.3445	1.815	2	103.3445	1.815	2	103.3445	1.815	2	108.1630	27.812	14	108.1630	27.812	14
943	856	944	0:SP-NON_SP-NON_SP2	Ga[6]	N[6]	I	3:3:4:1:	4:3:3:	4:	N[6]-3:N[6]-3:Ga-4:I-1:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:	Ga[6](N[6]C[6a]C[6])2(GaGa[6]GaI)(I)	N[6](Ga[6]N[6]GaI)(C[6a]C[6a]2)(C[6]C[6]C)	I(Ga[6]N[6]2Ga)	Ga[6](N[6]C[6a]C[6])2(GaGa[6]GaI)(I){2|C<4>,5|C<3>}	N[6](Ga[6]N[6]GaI)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	I(Ga[6]N[6]2Ga)	105.4545	2.467	2	105.4545	6.087	2	105.4545	6.087	2	103.5403	8.238	4	108.1630	27.812	14	108.1630	27.812	14
943	856	944	0:SP-NON_SP-NON_SP2	Ga[6]	N[6]	I	3:3:4:1:	4:3:3:	4:	N[6]-3:N[6]-3:P[6]-4:I-1:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:	Ga[6](N[6]C[6a]C[6])2(P[6]C[6]2Fe)(I)	N[6](Ga[6]N[6]P[6]I)(C[6a]C[6a]2)(C[6]C[6]C)	I(Ga[6]N[6]2P[6])	Ga[6](N[6]C[6a]C[6])2(P[6]C[6]2Fe)(I){4|C<4>,7|C<3>}	N[6](Ga[6]N[6]P[6]I)(C[6a]C[6a]2)(C[6]C[6]C){1|Fe<11>,1|H<1>,4|C<3>,4|C<4>}	I(Ga[6]N[6]2P[6])	101.6260	1.993	2	101.6260	3.971	2	101.6260	3.971	2	103.5403	8.238	4	108.1630	27.812	14	108.1630	27.812	14
943	856	951	0:SP-NON_SP-NON_SP2	Ga[5x6]	N[6,6]	H	4:4:3:1:	4:4:3:	4:	N[5x6]-4:N[6x6]-4:N[6,6]-3:H-1:	Ga[5x6]-4:Ga[6,6]-4:C-3:	Ga[5x6]-4:	Ga[5x6](N[5x6]Ga[6,6]Ga[6x6]C)(N[6x6]Ga[5x6]2H)(N[6,6]Ga[6,6]C)(H)	N[6,6](Ga[5x6]N[5x6]N[6x6]H)(Ga[6,6]N[5x6]HH)(CNN)	H(Ga[5x6]N[5x6]N[6,6]N[6x6])	Ga[5x6](N[5x6]Ga[6,6]Ga[6x6]C)(N[6x6]Ga[5x6]2H)(N[6,6]Ga[6,6]C)(H){2|N<3>,2|N<4>,7|H<1>}	N[6,6](Ga[5x6]N[5x6]N[6x6]H)(Ga[6,6]N[5x6]HH)(CNN){4|Ga<4>,1|H<1>,2|C<4>}	H(Ga[5x6]N[5x6]N[6,6]N[6x6])	114.2737	0.299	3	114.2737	0.089	3	114.2737	0.089	3	114.2737	0.089	3	114.2737	0.089	3	114.5417	8.036	14
943	856	951	0:SP-NON_SP-NON_SP2	Ga[6,6]	N[6,6]	H	4:3:1:1:	4:4:3:	4:	N[5x6]-4:N[6,6]-3:H-1:H-1:	Ga[5x6]-4:Ga[6,6]-4:C-3:	Ga[6,6]-4:	Ga[6,6](N[5x6]Ga[5x6]Ga[6x6]C)(N[6,6]Ga[5x6]C)(H)2	N[6,6](Ga[5x6]N[5x6]N[6x6]H)(Ga[6,6]N[5x6]HH)(CNN)	H(Ga[6,6]N[5x6]N[6,6]H)	Ga[6,6](N[5x6]Ga[5x6]Ga[6x6]C)(N[6,6]Ga[5x6]C)(H)2{1|N<3>,3|H<1>,3|N<4>}	N[6,6](Ga[5x6]N[5x6]N[6x6]H)(Ga[6,6]N[5x6]HH)(CNN){4|Ga<4>,1|H<1>,2|C<4>}	H(Ga[6,6]N[5x6]N[6,6]H)	111.7272	0.057	5	111.7272	0.003	5	111.7272	0.003	5	111.7272	0.003	5	111.7272	0.003	5	114.5417	8.036	14
943	856	951	0:SP-NON_SP-NON_SP2	Ga[6]	N[6]	H	3:3:2:1:	4:3:3:	4:	N[6]-3:N[6]-3:O-2:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:	Ga[6](N[6]C[6a]C[6])2(OP)(H)	N[6](Ga[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C)	H(Ga[6]N[6]2O)	Ga[6](N[6]C[6a]C[6])2(OP)(H){2|C<4>,5|C<3>}	N[6](Ga[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	H(Ga[6]N[6]2O)	116.3475	2.475	4	116.3475	6.124	4	117.0212	5.513	6	117.0212	5.513	6	117.0212	5.513	6	114.5417	8.036	14
943	856	951	0:SP-NON_SP-NON_SP2	Ga[6]	N[6]	H	3:3:2:1:	4:3:3:	4:	N[6]-3:N[6]-3:O-2:H-1:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:	Ga[6](N[6]C[6a]C[6])2(OS)(H)	N[6](Ga[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C)	H(Ga[6]N[6]2O)	Ga[6](N[6]C[6a]C[6])2(OS)(H){2|C<4>,5|C<3>}	N[6](Ga[6]N[6]HO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	H(Ga[6]N[6]2O)	118.3685	1.935	2	118.3685	3.746	2	117.0212	5.513	6	117.0212	5.513	6	117.0212	5.513	6	114.5417	8.036	14
943	856	954	6:SP-NON_SP-NON_SP2	Ga[6,6]	N[6,6]	Cl[6,6]	3:3:2:1:	4:3:3:	4:4:	C[6,6a]-3:N[6,6]-3:Cl[6,6]-2:Cl-1:	Ga[6,6]-4:C[6,6,6a]-3:C[6]-3:	Ga[6,6]-4:Ga[6,6]-4:	Ga[6,6](C[6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(Cl[6,6]Ga[6,6])(Cl)	N[6,6](Ga[6,6]C[6,6a]Cl[6,6]Cl)(C[6,6,6a]C[6,6a]2)(C[6]C[6]H)	Cl[6,6](Ga[6,6]C[6,6a]N[6,6]Cl)2	Ga[6,6](C[6,6a]C[6,6,6a]C[6a])(N[6,6]C[6,6,6a]C[6])(Cl[6,6]Ga[6,6])(Cl){1|Cl<1>,1|N<3>,2|H<1>,5|C<3>}	N[6,6](Ga[6,6]C[6,6a]Cl[6,6]Cl)(C[6,6,6a]C[6,6a]2)(C[6]C[6]H){1|Ga<4>,1|H<1>,5|C<3>}	Cl[6,6](Ga[6,6]C[6,6a]N[6,6]Cl)2{6|C<3>}	103.3785	3.518	2	103.3785	12.375	2	103.3785	12.375	2	103.3785	12.375	2	103.3785	12.375	2	103.3785	12.375	2
943	856	956	0:SP-NON_SP2_SP2	Ga[6]	N[6]	N	3:3:3:2:	4:3:3:	4:4:4:	N[6]-3:N[6]-3:N-3:N-2:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:Si-4:Si-4:	Ga[6](N[6]C[6a]C[6])2(NSi2)(NN)	N[6](Ga[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C)	N(Ga[6]N[6]2N)(SiC3)2	Ga[6](N[6]C[6a]C[6])2(NSi2)(NN){2|C<4>,5|C<3>}	N[6](Ga[6]N[6]NN)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	N(Ga[6]N[6]2N)(SiC3)2	117.8395	6.515	2	117.8395	42.440	2	117.8395	42.440	2	117.8395	42.440	2	117.8395	42.440	2	117.8395	42.440	2
943	856	956	0:SP-NON_SP2_SP3	Ga[6]	N[6]	N	3:2:3:3:	4:3:4:	4:4:4:	N[6]-3:O[6]-2:N-3:N-3:	Ga[6]-4:C[6]-3:C-4:	Ga[6]-4:C-4:C-4:	Ga[6](N[6]C[6]C)(O[6]C[6])(NCC)2	N[6](Ga[6]O[6]NN)(C[6]C[6]C)(CCCH)	N(Ga[6]N[6]O[6]N)(CH3)2	Ga[6](N[6]C[6]C)(O[6]C[6])(NCC)2{1|C<3>,2|C<4>}	N[6](Ga[6]O[6]NN)(C[6]C[6]C)(CCCH){1|C<3>,1|H<1>}	N(Ga[6]N[6]O[6]N)(CH3)2	112.4985	9.728	2	112.4985	94.628	2	112.4985	94.628	2	112.4985	94.628	2	114.0403	35.750	4	114.0403	35.750	4
943	856	956	0:SP-NON_SP2_SP3	Ga[6]	N[6]	N	3:3:3:2:	4:3:3:	4:4:1:	N[6]-3:N[6]-3:N-3:O-2:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:C-4:H-1:	Ga[6](N[6]C[6a]C[6])2(NCH)(OSi)	N[6](Ga[6]N[6]NO)(C[6a]C[6a]2)(C[6]C[6]C)	N(Ga[6]N[6]2O)(CCHH)(H)	Ga[6](N[6]C[6a]C[6])2(NCH)(OSi){2|C<4>,5|C<3>}	N[6](Ga[6]N[6]NO)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	N(Ga[6]N[6]2O)(CCHH)(H)	115.5820	1.765	2	115.5820	3.115	2	115.5820	3.115	2	115.5820	3.115	2	114.0403	35.750	4	114.0403	35.750	4
943	856	969	0:SP-NON_SP-NON_SP2	Ga[6]	N[6]	Ga	3:3:3:1:	4:3:3:	4:4:1:	N[6]-3:N[6]-3:Ga-3:I-1:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:Ga-4:I-1:	Ga[6](N[6]C[6a]C[6])2(GaGaI)(I)	N[6](Ga[6]N[6]GaI)(C[6a]C[6a]2)(C[6]C[6]C)	Ga(Ga[6]N[6]2I)(GaGa[6]2I)(I)	Ga[6](N[6]C[6a]C[6])2(GaGaI)(I){2|C<4>,5|C<3>}	N[6](Ga[6]N[6]GaI)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ga(Ga[6]N[6]2I)(GaGa[6]2I)(I)	121.3375	2.200	2	121.3375	4.839	2	121.3375	4.839	2	121.3375	4.839	2	121.3375	4.839	2	121.3375	4.839	2
943	856	975	0:SP-NON_SP2_SP3	Ga[6]	N[6]	Se[6]	2:2:3:1:	4:3:3:	4:4:	Se[6]-2:Se[6]-2:N[6]-3:Br-1:	Ga[6]-4:C[6]-3:C[6]-3:	Ga[6]-4:Ga[6]-4:	Ga[6](Se[6]Ga[6])2(N[6]C[6]2)(Br)	N[6](Ga[6]Se[6]2Br)(C[6]C[6]H)2	Se[6](Ga[6]Se[6]N[6]Br)2	Ga[6](Se[6]Ga[6])2(N[6]C[6]2)(Br){1|Se<2>,2|Br<1>,2|C<3>,2|H<1>,2|N<3>}	N[6](Ga[6]Se[6]2Br)(C[6]C[6]H)2{2|Ga<4>,1|C<3>,2|C<4>}	Se[6](Ga[6]Se[6]N[6]Br)2{1|Ga<4>,4|C<3>}	107.1900	1.912	12	107.1900	3.655	12	107.1900	3.655	12	107.1900	3.655	12	107.1900	3.655	12	107.1900	3.655	12
943	856	984	0:SP-NON_SP-NON_SP2	Ga[6]	N[6]	Ga	3:3:4:1:	4:3:3:	4:3:3:1:	N[6]-3:N[6]-3:Ga-4:I-1:	Ga[6]-4:C[6a]-3:C[6]-3:	Ga[6]-4:Ga[6]-3:Ga-3:I-1:	Ga[6](N[6]C[6a]C[6])2(GaGa[6]GaI)(I)	N[6](Ga[6]N[6]GaI)(C[6a]C[6a]2)(C[6]C[6]C)	Ga(Ga[6]N[6]2I)(Ga[6]N[6]2)(GaGa[6]I)(I)	Ga[6](N[6]C[6a]C[6])2(GaGa[6]GaI)(I){2|C<4>,5|C<3>}	N[6](Ga[6]N[6]GaI)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	Ga(Ga[6]N[6]2I)(Ga[6]N[6]2)(GaGa[6]I)(I)	122.2390	4.649	2	122.2390	21.609	2	122.2390	21.609	2	122.2390	21.609	2	122.2390	21.609	2	122.2390	21.609	2
943	893	893	0:SP-NON_SP3_SP3	Ga[6]	O	O	3:3:2:2:	4:1:	4:4:	N[6]-3:N[6]-3:O-2:O-2:	Ga[6]-4:H-1:	Ga[6]-4:Ga[6]-4:	Ga[6](N[6]C[6a]C[6])2(OGa[6])(OH)	O(Ga[6]N[6]2O)(H)	O(Ga[6]N[6]2O)2	Ga[6](N[6]C[6a]C[6])2(OGa[6])(OH){2|C<4>,5|C<3>}	O(Ga[6]N[6]2O)(H)	O(Ga[6]N[6]2O)2	114.0590	0.000	1	114.0590	0.000	1	114.0590	0.000	1	114.0590	0.000	1	114.0590	0.000	1	114.0590	0.000	1
943	893	951	0:SP-NON_SP-NON_SP3	Ga[6]	O	H	3:3:2:1:	4:4:	4:	N[6]-3:N[6]-3:O-2:H-1:	Ga[6]-4:P-4:	Ga[6]-4:	Ga[6](N[6]C[6a]C[6])2(OP)(H)	O(Ga[6]N[6]2H)(PO3)	H(Ga[6]N[6]2O)	Ga[6](N[6]C[6a]C[6])2(OP)(H){2|C<4>,5|C<3>}	O(Ga[6]N[6]2H)(PO3)	H(Ga[6]N[6]2O)	113.7300	3.094	2	113.7300	9.575	2	113.7300	9.575	2	113.3557	5.208	3	113.3557	5.208	3	113.3557	5.208	3
943	893	951	0:SP-NON_SP-NON_SP3	Ga[6]	O	H	3:3:2:1:	4:4:	4:	N[6]-3:N[6]-3:O-2:H-1:	Ga[6]-4:S-4:	Ga[6]-4:	Ga[6](N[6]C[6a]C[6])2(OS)(H)	O(Ga[6]N[6]2H)(SC[6a]OO)	H(Ga[6]N[6]2O)	Ga[6](N[6]C[6a]C[6])2(OS)(H){2|C<4>,5|C<3>}	O(Ga[6]N[6]2H)(SC[6a]OO)	H(Ga[6]N[6]2O)	112.6070	0.000	1	112.6070	0.000	1	112.6070	0.000	1	113.3557	5.208	3	113.3557	5.208	3	113.3557	5.208	3
943	893	956	0:SP-NON_SP3_SP3	Ga[6]	O	N	3:3:3:2:	4:4:	4:4:1:	N[6]-3:N[6]-3:N-3:O-2:	Ga[6]-4:Si-4:	Ga[6]-4:C-4:H-1:	Ga[6](N[6]C[6a]C[6])2(NCH)(OSi)	O(Ga[6]N[6]2N)(SiO3)	N(Ga[6]N[6]2O)(CCHH)(H)	Ga[6](N[6]C[6a]C[6])2(NCH)(OSi){2|C<4>,5|C<3>}	O(Ga[6]N[6]2N)(SiO3)	N(Ga[6]N[6]2O)(CCHH)(H)	109.1760	0.000	1	109.1760	0.000	1	109.1760	0.000	1	109.1760	0.000	1	109.1760	0.000	1	109.1760	0.000	1
943	893	999	0:SP-NON_SP2_SP3	Ga[6]	O	N[5,6]	4:2:2:1:	4:3:	4:4:4:4:	N[5,6]-4:O[6]-2:O-2:Cl-1:	Ga[6]-4:C[6a]-3:	C[6]-4:Ga[6]-4:C[5]-4:C[5]-4:	Ga[6](N[5,6]C[5]2C[6])(O[6]C[6,6a])(OC[6a])(Cl)	O(Ga[6]N[5,6]O[6]Cl)(C[6a]C[6a]2)	N[5,6](C[6]C[6,6a]HH)(Ga[6]O[6]ClO)(C[5]C[5]2H)(C[5]C[5]HH)	Ga[6](N[5,6]C[5]2C[6])(O[6]C[6,6a])(OC[6a])(Cl){2|C<3>,3|C<4>,5|H<1>}	O(Ga[6]N[5,6]O[6]Cl)(C[6a]C[6a]2)	N[5,6](C[6]C[6,6a]HH)(Ga[6]O[6]ClO)(C[5]C[5]2H)(C[5]C[5]HH){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	122.7340	0.000	1	122.7340	0.000	1	122.7340	0.000	1	122.7340	0.000	1	122.7340	0.000	1	122.7340	0.000	1
943	922	922	6:SP-NON_SP3_SP3	Ga[6x6]	S[6x6]	S[6x6]	3:3:2:2:	4:4:4:	4:4:4:	S[6x6]-3:S[6x6]-3:S[6,6]-2:S[6,6]-2:	Ga[6x6]-4:Ga[6x6]-4:Ga[6x6]-4:	Ga[6x6]-4:Ga[6x6]-4:Ga[6x6]-4:	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2	S[6x6](Ga[6x6]S[6,6]2S[6x6])3	S[6x6](Ga[6x6]S[6,6]2S[6x6])3	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2{1|N<3>,1|N<4>,2|S<3>,8|S<2>}	S[6x6](Ga[6x6]S[6,6]2S[6x6])3{6|Ga<4>}	S[6x6](Ga[6x6]S[6,6]2S[6x6])3{6|Ga<4>}	110.7113	0.986	3	110.4712	0.766	16	110.4712	0.766	16	110.4712	0.766	16	110.4712	0.766	16	110.4712	0.766	16
943	922	922	6:SP-NON_SP3_SP3	Ga[6x6]	S[6x6]	S[6x6]	3:3:2:2:	4:4:4:	4:4:4:	S[6x6]-3:S[6x6]-3:S[6,6]-2:S[6,6]-2:	Ga[6x6]-4:Ga[6x6]-4:Ga[6x6]-4:	Ga[6x6]-4:Ga[6x6]-4:Ga[6x6]-4:	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2	S[6x6](Ga[6x6]S[6,6]2S[6x6])3	S[6x6](Ga[6x6]S[6,6]2S[6x6])3	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2{1|N<3>,1|S<1>,2|S<3>,8|S<2>}	S[6x6](Ga[6x6]S[6,6]2S[6x6])3{6|Ga<4>}	S[6x6](Ga[6x6]S[6,6]2S[6x6])3{6|Ga<4>}	110.3553	0.723	3	110.4712	0.766	16	110.4712	0.766	16	110.4712	0.766	16	110.4712	0.766	16	110.4712	0.766	16
943	922	922	6:SP-NON_SP3_SP3	Ga[6x6]	S[6x6]	S[6x6]	3:3:2:2:	4:4:4:	4:4:4:	S[6x6]-3:S[6x6]-3:S[6,6]-2:S[6,6]-2:	Ga[6x6]-4:Ga[6x6]-4:Ga[6x6]-4:	Ga[6x6]-4:Ga[6x6]-4:Ga[6x6]-4:	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2	S[6x6](Ga[6x6]S[6,6]2S[6x6])3	S[6x6](Ga[6x6]S[6,6]2S[6x6])3	Ga[6x6](S[6x6]Ga[6x6]2)2(S[6,6]Ga[3x6])2{2|N<3>,2|S<3>,8|S<2>}	S[6x6](Ga[6x6]S[6,6]2S[6x6])3{6|Ga<4>}	S[6x6](Ga[6x6]S[6,6]2S[6x6])3{6|Ga<4>}	110.4339	0.959	10	110.4712	0.766	16	110.4712	0.766	16	110.4712	0.766	16	110.4712	0.766	16	110.4712	0.766	16
943	924	975	0:SP-NON_SP-NON_SP3	Ga[6]	Br	Se[6]	2:2:3:1:	4:	4:4:	Se[6]-2:Se[6]-2:N[6]-3:Br-1:	Ga[6]-4:	Ga[6]-4:Ga[6]-4:	Ga[6](Se[6]Ga[6])2(N[6]C[6]2)(Br)	Br(Ga[6]Se[6]2N[6])	Se[6](Ga[6]Se[6]N[6]Br)2	Ga[6](Se[6]Ga[6])2(N[6]C[6]2)(Br){1|Se<2>,2|Br<1>,2|C<3>,2|H<1>,2|N<3>}	Br(Ga[6]Se[6]2N[6])	Se[6](Ga[6]Se[6]N[6]Br)2{1|Ga<4>,4|C<3>}	108.1680	1.775	12	108.1680	3.152	12	108.1680	3.152	12	108.1680	3.152	12	108.1680	3.152	12	108.1680	3.152	12
943	941	956	0:SP-NON_SP2_SP2	Ga[6]	N	N	3:3:3:2:	4:2:	4:4:4:	N[6]-3:N[6]-3:N-3:N-2:	Ga[6]-4:N-2:	Ga[6]-4:Si-4:Si-4:	Ga[6](N[6]C[6a]C[6])2(NSi2)(NN)	N(Ga[6]N[6]2N)(NN)	N(Ga[6]N[6]2N)(SiC3)2	Ga[6](N[6]C[6a]C[6])2(NSi2)(NN){2|C<4>,5|C<3>}	N(Ga[6]N[6]2N)(NN)	N(Ga[6]N[6]2N)(SiC3)2	111.8230	0.000	1	111.8230	0.000	1	111.8230	0.000	1	111.8230	0.000	1	111.8230	0.000	1	111.8230	0.000	1
943	943	944	0:SP-NON_SP-NON_SP-NON	Ga[6]	Ga[6]	I	4:4:4:1:	4:4:4:1:	4:	Ga[6]-4:P[6]-4:P[6]-4:I-1:	Ga[6]-4:P[6]-4:P[6]-4:I-1:	Ga[6]-4:	Ga[6](Ga[6]P[6]2I)(P[6]C[6]CC)2(I)	Ga[6](Ga[6]P[6]2I)(P[6]C[6]CC)2(I)	I(Ga[6]Ga[6]P[6]2)	Ga[6](Ga[6]P[6]2I)(P[6]C[6]CC)2(I){1|B<4>,4|H<1>,6|C<4>}	Ga[6](Ga[6]P[6]2I)(P[6]C[6]CC)2(I){1|B<4>,4|H<1>,6|C<4>}	I(Ga[6]Ga[6]P[6]2)	103.6195	1.098	2	103.6195	1.206	2	103.6195	1.206	2	106.3733	23.354	3	106.3733	23.354	3	106.3733	23.354	3
943	943	944	0:SP-NON_SP-NON_SP-NON	Ga[6]	Ga[6]	I	4:4:4:1:	4:4:4:1:	4:	P[6]-4:P[6]-4:Ga[6]-4:I-1:	P[6]-4:P[6]-4:Ga[6]-4:I-1:	Ga[6]-4:	Ga[6](P[6]C[6a]2C[6])2(Ga[6]P[6]2I)(I)	Ga[6](P[6]C[6a]2C[6])2(Ga[6]P[6]2I)(I)	I(Ga[6]Ga[6]P[6]2)	Ga[6](P[6]C[6a]2C[6])2(Ga[6]P[6]2I)(I){12|C<3>,1|B<4>,2|C<4>,4|H<1>}	Ga[6](P[6]C[6a]2C[6])2(Ga[6]P[6]2I)(I){12|C<3>,1|B<4>,2|C<4>,4|H<1>}	I(Ga[6]Ga[6]P[6]2)	111.8810	0.000	1	111.8810	0.000	1	111.8810	0.000	1	106.3733	23.354	3	106.3733	23.354	3	106.3733	23.354	3
943	944	944	0:SP-NON_SP-NON_SP-NON	Ga[6]	I	I	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:I-1:I-1:	Ga[6]-4:	Ga[6]-4:	Ga[6](N[6]C[6a]C[6])2(I)2	I(Ga[6]N[6]2I)	I(Ga[6]N[6]2I)	Ga[6](N[6]C[6a]C[6])2(I)2{2|C<4>,5|C<3>}	I(Ga[6]N[6]2I)	I(Ga[6]N[6]2I)	109.4140	0.000	1	109.4140	0.000	1	106.0300	22.903	2	106.0300	22.903	2	106.0300	22.903	2	106.0300	22.903	2
943	944	944	0:SP-NON_SP-NON_SP-NON	Ga[6]	I	I	3:3:1:1:	4:	4:	N[6]-3:N[6]-3:I-1:I-1:	Ga[6]-4:	Ga[6]-4:	Ga[6](N[6]C[6a]P[6])2(I)2	I(Ga[6]N[6]2I)	I(Ga[6]N[6]2I)	Ga[6](N[6]C[6a]P[6])2(I)2{9|C<3>}	I(Ga[6]N[6]2I)	I(Ga[6]N[6]2I)	102.6460	0.000	1	102.6460	0.000	1	106.0300	22.903	2	106.0300	22.903	2	106.0300	22.903	2	106.0300	22.903	2
943	944	969	0:SP-NON_SP-NON_SP-NON	Ga[6]	I	Ga	3:3:3:1:	4:	4:4:1:	N[6]-3:N[6]-3:Ga-3:I-1:	Ga[6]-4:	Ga[6]-4:Ga-4:I-1:	Ga[6](N[6]C[6a]C[6])2(GaGaI)(I)	I(Ga[6]N[6]2Ga)	Ga(Ga[6]N[6]2I)(GaGa[6]2I)(I)	Ga[6](N[6]C[6a]C[6])2(GaGaI)(I){2|C<4>,5|C<3>}	I(Ga[6]N[6]2Ga)	Ga(Ga[6]N[6]2I)(GaGa[6]2I)(I)	110.5250	0.000	1	110.5250	0.000	1	110.5250	0.000	1	110.5250	0.000	1	110.5250	0.000	1	110.5250	0.000	1
943	944	984	0:SP-NON_SP-NON_SP-NON	Ga[6]	I	Ga	3:3:4:1:	4:	4:3:3:1:	N[6]-3:N[6]-3:Ga-4:I-1:	Ga[6]-4:	Ga[6]-4:Ga[6]-3:Ga-3:I-1:	Ga[6](N[6]C[6a]C[6])2(GaGa[6]GaI)(I)	I(Ga[6]N[6]2Ga)	Ga(Ga[6]N[6]2I)(Ga[6]N[6]2)(GaGa[6]I)(I)	Ga[6](N[6]C[6a]C[6])2(GaGa[6]GaI)(I){2|C<4>,5|C<3>}	I(Ga[6]N[6]2Ga)	Ga(Ga[6]N[6]2I)(Ga[6]N[6]2)(GaGa[6]I)(I)	104.6550	0.000	1	104.6550	0.000	1	104.6550	0.000	1	104.6550	0.000	1	104.6550	0.000	1	104.6550	0.000	1
943	948	948	0:SP-NON_SP-NON_SP-NON	Ga[3x6]	H[6,6]	H[6,6]	4:2:2:4:	4:4:	4:4:	C[6,6]-4:H[6,6]-2:H[6,6]-2:C-4:	Ga[3x6]-4:Ga[3x6]-4:	Ga[3x6]-4:Ga[3x6]-4:	Ga[3x6](C[6,6]Ga[3x6]SiC)(H[6,6]Ga[3x6])2(CC3)	H[6,6](Ga[3x6]C[6,6]H[6,6]C)2	H[6,6](Ga[3x6]C[6,6]H[6,6]C)2	Ga[3x6](C[6,6]Ga[3x6]SiC)(H[6,6]Ga[3x6])2(CC3){1|C<4>,2|H<2>}	H[6,6](Ga[3x6]C[6,6]H[6,6]C)2	H[6,6](Ga[3x6]C[6,6]H[6,6]C)2	90.1352	1.340	4	90.1352	1.795	4	90.1352	1.795	4	90.1352	1.795	4	90.1352	1.795	4	90.1352	1.795	4
943	951	951	0:SP-NON_SP-NON_SP-NON	Ga[6,6]	H	H	4:3:1:1:	4:	4:	N[5x6]-4:N[6,6]-3:H-1:H-1:	Ga[6,6]-4:	Ga[6,6]-4:	Ga[6,6](N[5x6]Ga[5x6]Ga[6x6]C)(N[6,6]Ga[5x6]C)(H)2	H(Ga[6,6]N[5x6]N[6,6]H)	H(Ga[6,6]N[5x6]N[6,6]H)	Ga[6,6](N[5x6]Ga[5x6]Ga[6x6]C)(N[6,6]Ga[5x6]C)(H)2{1|N<3>,3|H<1>,3|N<4>}	H(Ga[6,6]N[5x6]N[6,6]H)	H(Ga[6,6]N[5x6]N[6,6]H)	109.4993	0.162	3	109.4993	0.026	3	109.4993	0.026	3	109.4993	0.026	3	109.4993	0.026	3	113.2051	28.867	8
943	951	951	0:SP-NON_SP-NON_SP-NON	Ga[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:N[6]-4:H-1:H-1:	Ga[6]-4:	Ga[6]-4:	Ga[6](N[6]Ga[6]CC)2(H)2	H(Ga[6]N[6]2H)	H(Ga[6]N[6]2H)	Ga[6](N[6]Ga[6]CC)2(H)2{1|N<4>,4|H<1>}	H(Ga[6]N[6]2H)	H(Ga[6]N[6]2H)	119.3983	2.992	3	119.3983	8.952	3	115.4286	34.024	5	115.4286	34.024	5	115.4286	34.024	5	113.2051	28.867	8
943	951	951	0:SP-NON_SP-NON_SP-NON	Ga[6]	H	H	4:4:1:1:	4:	4:	N[6]-4:N[6]-4:H-1:H-1:	Ga[6]-4:	Ga[6]-4:	Ga[6](N[6]Ga[6]CH)2(H)2	H(Ga[6]N[6]2H)	H(Ga[6]N[6]2H)	Ga[6](N[6]Ga[6]CH)2(H)2{1|N<4>,4|H<1>}	H(Ga[6]N[6]2H)	H(Ga[6]N[6]2H)	109.4740	0.041	2	109.4740	0.002	2	115.4286	34.024	5	115.4286	34.024	5	115.4286	34.024	5	113.2051	28.867	8
943	956	956	0:SP-NON_SP3_SP3	Ga[6]	N	N	3:2:3:3:	4:4:4:	4:4:4:	N[6]-3:O[6]-2:N-3:N-3:	Ga[6]-4:C-4:C-4:	Ga[6]-4:C-4:C-4:	Ga[6](N[6]C[6]C)(O[6]C[6])(NCC)2	N(Ga[6]N[6]O[6]N)(CH3)2	N(Ga[6]N[6]O[6]N)(CH3)2	Ga[6](N[6]C[6]C)(O[6]C[6])(NCC)2{1|C<3>,2|C<4>}	N(Ga[6]N[6]O[6]N)(CH3)2	N(Ga[6]N[6]O[6]N)(CH3)2	119.2860	0.000	1	119.2860	0.000	1	119.2860	0.000	1	119.2860	0.000	1	119.2860	0.000	1	119.2860	0.000	1
943	975	975	0:SP-NON_SP3_SP3	Ga[6,6]	Se[6]	Se[6]	2:2:2:2:	4:4:	4:4:	Se[6]-2:Se[6]-2:Se[6]-2:Se[6]-2:	P[6]-4:Ga[6,6]-4:	P[6]-4:Ga[6,6]-4:	Ga[6,6](Se[6]P[6])4	Se[6](P[6]C[6a]2N[6])(Ga[6,6]Se[6]3)	Se[6](P[6]C[6a]2N[6])(Ga[6,6]Se[6]3)	Ga[6,6](Se[6]P[6])4{2|N<2>,8|C<3>}	Se[6](P[6]C[6a]2N[6])(Ga[6,6]Se[6]3){3|P<4>,4|C<3>}	Se[6](P[6]C[6a]2N[6])(Ga[6,6]Se[6]3){3|P<4>,4|C<3>}	110.3737	3.402	7	110.3737	11.575	7	110.3737	11.575	7	110.3737	11.575	7	110.3737	11.575	7	110.3737	11.575	7
943	975	975	6:SP-NON_SP3_SP3	Ga[6,6]	Se[6]	Se[6]	2:2:2:2:	4:4:	4:4:	Se[6]-2:Se[6]-2:Se[6]-2:Se[6]-2:	P[6]-4:Ga[6,6]-4:	P[6]-4:Ga[6,6]-4:	Ga[6,6](Se[6]P[6])4	Se[6](P[6]C[6a]2N[6])(Ga[6,6]Se[6]3)	Se[6](P[6]C[6a]2N[6])(Ga[6,6]Se[6]3)	Ga[6,6](Se[6]P[6])4{2|N<2>,8|C<3>}	Se[6](P[6]C[6a]2N[6])(Ga[6,6]Se[6]3){3|P<4>,4|C<3>}	Se[6](P[6]C[6a]2N[6])(Ga[6,6]Se[6]3){3|P<4>,4|C<3>}	109.0203	4.411	4	109.0203	19.453	4	109.0203	19.453	4	109.0203	19.453	4	109.0203	19.453	4	117.6259	62.738	10
943	975	975	6:SP-NON_SP3_SP3	Ga[6]	Se[6]	Se[6]	2:2:3:1:	4:4:	4:4:	Se[6]-2:Se[6]-2:N[6]-3:Br-1:	Ga[6]-4:Ga[6]-4:	Ga[6]-4:Ga[6]-4:	Ga[6](Se[6]Ga[6])2(N[6]C[6]2)(Br)	Se[6](Ga[6]Se[6]N[6]Br)2	Se[6](Ga[6]Se[6]N[6]Br)2	Ga[6](Se[6]Ga[6])2(N[6]C[6]2)(Br){1|Se<2>,2|Br<1>,2|C<3>,2|H<1>,2|N<3>}	Se[6](Ga[6]Se[6]N[6]Br)2{1|Ga<4>,4|C<3>}	Se[6](Ga[6]Se[6]N[6]Br)2{1|Ga<4>,4|C<3>}	123.3630	1.585	6	123.3630	2.513	6	123.3630	2.513	6	123.3630	2.513	6	123.3630	2.513	6	117.6259	62.738	10
945	3	951	0:SP3_SP-NON_SP2	P	B[5a]	H	3:1:1:	3:3:3:	3:	B[5a]-3:H-1:H-1:	N[5a]-3:N[5a]-3:P-3:	P-3:	P(B[5a]N[5a]2)(H)2	B[5a](N[5a]C[5a]C[6a])2(PHH)	H(PB[5a]H)	P(B[5a]N[5a]2)(H)2	B[5a](N[5a]C[5a]C[6a])2(PHH){2|H<1>,4|C<3>}	H(PB[5a]H)	95.7938	0.129	2	95.7938	0.017	2	95.7938	0.017	2	95.7938	0.017	2	95.7938	0.017	2	95.7938	0.017	2
945	3	956	0:SP3_SP2_SP3	P	B[5a]	N	3:3:3:	3:3:3:	3:4:4:	B[5a]-3:N-3:N-3:	N[5a]-3:N[5a]-3:P-3:	P-3:C-4:C-4:	P(B[5a]N[5a]2)(NCC)2	B[5a](N[5a]C[5a]C[6a])2(PNN)	N(PB[5a]N)(CH3)2	P(B[5a]N[5a]2)(NCC)2	B[5a](N[5a]C[5a]C[6a])2(PNN){2|H<1>,4|C<3>}	N(PB[5a]N)(CH3)2	102.4370	1.401	2	102.4370	1.964	2	102.4370	1.964	2	102.4370	1.964	2	102.4370	1.964	2	102.4370	1.964	2
945	14	643	0:SP3_SP2_SP3	P	P[6,6]	C[6a]	3:3:3:	4:4:3:	3:3:3:	P[6,6]-3:C[6a]-3:C[6a]-3:	C[3x6]-4:C[3x6]-4:P-3:	P-3:C[6a]-3:C[6a]-3:	P(P[6,6]C[3x6]2)(C[6a]C[6a]2)2	P[6,6](C[3x6]C[6,6]O[6,6]C)2(PC[6a]2)	C[6a](PP[6,6]C[6a])(C[6a]C[6a]H)2	P(P[6,6]C[3x6]2)(C[6a]C[6a]2)2	P[6,6](C[3x6]C[6,6]O[6,6]C)2(PC[6a]2){2|C<4>,4|H<1>}	C[6a](PP[6,6]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	99.9228	2.841	2	99.9228	8.074	2	99.9228	8.074	2	99.2944	3.391	4	99.2944	3.391	4	100.8248	4.599	8
945	14	643	0:SP3_SP2_SP3	P	P[6,6]	C[6a]	3:3:3:	4:4:3:	3:3:3:	P[6,6]-3:C[6a]-3:C[6a]-3:	C[6,6]-4:C[6,6]-4:P-3:	P-3:C[6a]-3:C[6a]-3:	P(P[6,6]C[6,6]2)(C[6a]C[6a]2)2	P[6,6](C[6,6]C[6]2H)2(PC[6a]2)	C[6a](PP[6,6]C[6a])(C[6a]C[6a]H)2	P(P[6,6]C[6,6]2)(C[6a]C[6a]2)2	P[6,6](C[6,6]C[6]2H)2(PC[6a]2){2|C<4>,8|H<1>}	C[6a](PP[6,6]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	98.6660	0.721	2	98.6660	0.519	2	98.6660	0.519	2	99.2944	3.391	4	99.2944	3.391	4	100.8248	4.599	8
945	14	643	0:SP3_SP2_SP3	P	P[6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:P[6]-3:	C[5,6]-3:C[5,6]-3:P-3:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(P[6]C[5,6]2)	P[6](C[5,6]C[5,6]N[5])(C[5,6]C[5,6]S[5])(PC[6a]2)	C[6a](C[6a]C[6a]H)2(PC[6a]P[6])	P(C[6a]C[6a]2)2(P[6]C[5,6]2)	P[6](C[5,6]C[5,6]N[5])(C[5,6]C[5,6]S[5])(PC[6a]2){1|C<4>,1|N<3>,1|P<3>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(PC[6a]P[6]){1|C<3>,2|H<1>}	102.3552	1.046	4	102.3552	1.095	4	102.3552	1.095	4	102.3552	1.095	4	102.3552	1.095	4	100.8248	4.599	8
945	18	643	0:SP3_SP2_SPD6	P	B[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	B[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:P-3:	P-3:C[6a]-3:C[6a]-3:	P(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)4(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[6a]2)	C[6a](PB[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)2	P(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)2	B[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)4(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[6a]2){1|B<6>,5|H<1>}	C[6a](PB[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	105.4110	0.434	2	105.4110	0.188	2	105.4110	0.188	2	105.4110	0.188	2	105.4110	0.188	2	105.4110	0.188	2
945	70	940	0:SP3_SP-NON_SP-NON	P	P	P	2:1:1:	3:	3:1:	P-2:H-1:P-1:	P-3:	P-3:H-1:	P(PH)(H)(P)	P(PHP)	P(PHP)(H)	P(PH)(H)(P)	P(PHP)	P(PHP)(H)	115.1790	0.000	1	115.1790	0.000	1	115.1790	0.000	1	115.1790	0.000	1	110.9673	13.359	3	110.9673	13.359	3
945	70	940	0:SP3_SP-NON_SP-NON	P	P	P	2:2:1:	3:	3:1:	P-2:P-2:P-1:	P-3:	P-3:H-1:	P(PH)2(P)	P(PPP)	P(PPP)(H)	P(PH)2(P)	P(PPP)	P(PPP)(H)	108.8615	0.333	2	108.8615	0.111	2	108.8615	0.111	2	108.8615	0.111	2	110.9673	13.359	3	110.9673	13.359	3
945	70	951	0:SP3_SP-NON_SP-NON	P	P	H	2:1:1:	3:	3:	P-2:H-1:P-1:	P-3:	P-3:	P(PH)(H)(P)	P(PHP)	H(PPP)	P(PH)(H)(P)	P(PHP)	H(PPP)	94.3662	0.000	1	94.3662	0.000	1	94.3662	0.000	1	94.3662	0.000	1	94.3662	0.000	1	94.3662	0.000	1
945	106	880	0:SP3_SP2_SP3	P	Si[6]	Si	3:4:4:	3:3:3:	3:4:4:4:	Si[6]-3:Si-4:Si-4:	N[6]-3:N[6]-3:P-3:	P-3:C-4:C-4:C-4:	P(Si[6]N[6]2)(SiC3)2	Si[6](N[6]C[6a]C[6])2(PSi2)	Si(PSi[6]Si)(CH3)3	P(Si[6]N[6]2)(SiC3)2	Si[6](N[6]C[6a]C[6])2(PSi2){2|N<3>,5|C<3>}	Si(PSi[6]Si)(CH3)3	108.8462	16.955	2	108.8462	287.463	2	108.8462	287.463	2	108.8462	287.463	2	108.8462	287.463	2	108.8462	287.463	2
945	210	490	0:SP3_SP1_SP3	P	Ge	C	3:4:2:	3:1:	3:4:4:1:	C[6a]-3:C-4:Ge-2:	P-3:Cl-1:	P-3:Si-4:Si-4:H-1:	P(C[6a]C[6a]2)(CSi2H)(GeCl)	Ge(PC[6a]C)(Cl)	C(PC[6a]Ge)(SiC3)2(H)	P(C[6a]C[6a]2)(CSi2H)(GeCl)	Ge(PC[6a]C)(Cl)	C(PC[6a]Ge)(SiC3)2(H)	112.7330	0.000	1	112.7330	0.000	1	112.7330	0.000	1	112.7330	0.000	1	103.5889	74.347	3	103.5889	74.347	3
945	210	490	0:SP3_SP1_SP3	P	Ge	C	3:4:2:	3:3:	3:4:4:1:	C[6a]-3:C-4:Ge-2:	P-3:P-3:	P-3:Si-4:Si-4:H-1:	P(C[6a]C[6a]2)(CSi2H)(GeP)	Ge(PC[6a]C)2	C(PC[6a]Ge)(SiC3)2(H)	P(C[6a]C[6a]2)(CSi2H)(GeP)	Ge(PC[6a]C)2	C(PC[6a]Ge)(SiC3)2(H)	99.0169	4.824	2	99.0169	23.272	2	99.0169	23.272	2	99.0169	23.272	2	103.5889	74.347	3	103.5889	74.347	3
945	210	643	0:SP3_SP1_SP2	P	Ge	C[6a]	3:3:2:	3:3:	3:3:3:	C[6a]-3:C[6a]-3:Ge-2:	P-3:P-3:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(GeP)	Ge(PC[6a]2)2	C[6a](C[6a]C[6a]C)2(PC[6a]Ge)	P(C[6a]C[6a]2)2(GeP)	Ge(PC[6a]2)2	C[6a](C[6a]C[6a]C)2(PC[6a]Ge){1|C<3>,2|H<1>}	114.4900	22.556	4	114.4900	508.772	4	114.4900	508.772	4	114.4900	508.772	4	107.6137	361.104	7	107.6137	361.104	7
945	210	643	0:SP3_SP1_SP2	P	Ge	C[6a]	3:4:2:	3:1:	3:3:3:	C[6a]-3:C-4:Ge-2:	P-3:Cl-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CSi2H)(GeCl)	Ge(PC[6a]C)(Cl)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PGeC)	P(C[6a]C[6a]2)(CSi2H)(GeCl)	Ge(PC[6a]C)(Cl)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PGeC){1|C<3>,2|H<1>}	87.1764	0.000	1	87.1764	0.000	1	87.1764	0.000	1	87.1764	0.000	1	107.6137	361.104	7	107.6137	361.104	7
945	210	643	0:SP3_SP1_SP2	P	Ge	C[6a]	3:4:2:	3:3:	3:3:3:	C[6a]-3:C-4:Ge-2:	P-3:P-3:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CSi2H)(GeP)	Ge(PC[6a]C)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PGeC)	P(C[6a]C[6a]2)(CSi2H)(GeP)	Ge(PC[6a]C)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PGeC){1|C<3>,2|H<1>}	104.0795	2.917	2	104.0795	8.508	2	104.0795	8.508	2	104.0795	8.508	2	107.6137	361.104	7	107.6137	361.104	7
945	246	490	0:SP3_SP3_SP3	P	P[5]	C	3:3:4:	3:3:3:	3:4:1:1:	C[6a]-3:P[5]-3:C-4:	P[5]-3:P[5]-3:P-3:	P-3:C-4:H-1:H-1:	P(C[6a]C[6a]2)(P[5]P[5]2)(CCHH)	P[5](P[5]C[6a]C[5])2(PC[6a]C)	C(PC[6a]P[5])(CHHP)(H)2	P(C[6a]C[6a]2)(P[5]P[5]2)(CCHH)	P[5](P[5]C[6a]C[5])2(PC[6a]C){4|C<3>,4|H<1>}	C(PC[6a]P[5])(CHHP)(H)2	98.4160	0.000	1	98.4160	0.000	1	98.4160	0.000	1	98.4160	0.000	1	98.4160	0.000	1	98.4160	0.000	1
945	246	643	0:SP3_SP2_SP3	P	P[5]	C[6a]	3:3:4:	3:3:3:	3:3:3:	C[6a]-3:P[5]-3:C-4:	P[5]-3:P[5]-3:P-3:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(P[5]P[5]2)(CCHH)	P[5](P[5]C[6a]C[5])2(PC[6a]C)	C[6a](C[6a]C[6a]H)2(PP[5]C)	P(C[6a]C[6a]2)(P[5]P[5]2)(CCHH)	P[5](P[5]C[6a]C[5])2(PC[6a]C){4|C<3>,4|H<1>}	C[6a](C[6a]C[6a]H)2(PP[5]C){1|C<3>,2|H<1>}	97.2729	0.000	1	97.2729	0.000	1	97.2729	0.000	1	97.2729	0.000	1	97.2729	0.000	1	97.2729	0.000	1
945	254	466	0:SP3_SP3_SP3	P	Ge[6]	C[6]	4:4:4:	3:3:3:1:	4:4:3:1:	Ge[6]-4:C[6]-4:C[6]-4:	N[6]-3:N[6]-3:P-3:Se-1:	C[6]-4:C[6]-4:P-3:H-1:	P(Ge[6]N[6]2Se)(C[6]C[6]2H)2	Ge[6](N[6]C[6a]C[6])2(PC[6]2)(Se)	C[6](C[6]C[6]HH)2(PGe[6]C[6])(H)	P(Ge[6]N[6]2Se)(C[6]C[6]2H)2	Ge[6](N[6]C[6a]C[6])2(PC[6]2)(Se){2|C<4>,5|C<3>}	C[6](C[6]C[6]HH)2(PGe[6]C[6])(H){1|C<4>,4|H<1>}	101.3535	0.995	4	101.3535	0.990	4	101.3535	0.990	4	101.3535	0.990	4	101.3535	0.990	4	101.3535	0.990	4
945	254	880	0:SP3_SP3_SP3	P	Ge[6]	Si	4:4:4:	3:3:3:1:	3:4:4:4:	Ge[6]-4:Si-4:Si-4:	N[6]-3:N[6]-3:P-3:Se-1:	P-3:C-4:C-4:C-4:	P(Ge[6]N[6]2Se)(SiC3)2	Ge[6](N[6]C[6a]C[6])2(PSi2)(Se)	Si(PGe[6]Si)(CH3)3	P(Ge[6]N[6]2Se)(SiC3)2	Ge[6](N[6]C[6a]C[6])2(PSi2)(Se){2|C<4>,5|C<3>}	Si(PGe[6]Si)(CH3)3	114.6260	11.111	2	114.6260	123.465	2	114.6260	123.465	2	114.6260	123.465	2	114.6260	123.465	2	114.6260	123.465	2
945	278	466	0:SP3_SP2_SP3	P	Ge[6]	C[6]	4:4:3:	3:3:3:	4:4:3:1:	C[6]-4:C[6]-4:Ge[6]-3:	N[6]-3:N[6]-3:P-3:	C[6]-4:C[6]-4:P-3:H-1:	P(C[6]C[6]2H)2(Ge[6]N[6]2)	Ge[6](N[6]C[6a]C[6])2(PC[6]2)	C[6](C[6]C[6]HH)2(PGe[6]C[6])(H)	P(C[6]C[6]2H)2(Ge[6]N[6]2)	Ge[6](N[6]C[6a]C[6])2(PC[6]2){2|C<4>,5|C<3>}	C[6](C[6]C[6]HH)2(PGe[6]C[6])(H){1|C<4>,4|H<1>}	98.0366	0.102	2	98.0366	0.010	2	98.0366	0.010	2	98.0366	0.010	2	98.0366	0.010	2	98.0366	0.010	2
945	278	643	0:SP3_SP2_SP2	P	Ge[6]	C[6a]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:Ge[6]-3:	N[6]-3:N[6]-3:P-3:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(Ge[6]N[6]2)	Ge[6](N[6]C[6a]C[6])2(PC[6a]2)	C[6a](C[6a]C[6a]H)2(PC[6a]Ge[6])	P(C[6a]C[6a]2)2(Ge[6]N[6]2)	Ge[6](N[6]C[6a]C[6])2(PC[6a]2){2|C<4>,5|C<3>}	C[6a](C[6a]C[6a]H)2(PC[6a]Ge[6]){1|C<3>,2|H<1>}	100.4795	0.325	2	100.4795	0.105	2	100.4795	0.105	2	100.4795	0.105	2	100.4795	0.105	2	100.4795	0.105	2
945	278	880	0:SP3_SP2_SP3	P	Ge[6]	Si	3:4:1:	3:3:3:	3:4:4:4:	Ge[6]-3:Si-4:H-1:	N[6]-3:N[6]-3:P-3:	P-3:C-4:C-4:C-4:	P(Ge[6]N[6]2)(SiC3)(H)	Ge[6](N[6]C[6a]C[6])2(PSiH)	Si(PGe[6]H)(CH3)3	P(Ge[6]N[6]2)(SiC3)(H)	Ge[6](N[6]C[6a]C[6])2(PSiH){2|C<4>,5|C<3>}	Si(PGe[6]H)(CH3)3	100.9730	0.000	1	100.9730	0.000	1	100.9730	0.000	1	100.9730	0.000	1	115.3503	284.763	3	115.3503	284.763	3
945	278	880	0:SP3_SP2_SP3	P	Ge[6]	Si	3:4:4:	3:3:3:	3:4:4:4:	Ge[6]-3:Si-4:Si-4:	N[6]-3:N[6]-3:P-3:	P-3:C-4:C-4:C-4:	P(Ge[6]N[6]2)(SiC3)2	Ge[6](N[6]C[6a]C[6])2(PSi2)	Si(PGe[6]Si)(CH3)3	P(Ge[6]N[6]2)(SiC3)2	Ge[6](N[6]C[6a]C[6])2(PSi2){2|C<4>,5|C<3>}	Si(PGe[6]Si)(CH3)3	122.5390	16.108	2	122.5390	259.464	2	122.5390	259.464	2	122.5390	259.464	2	115.3503	284.763	3	115.3503	284.763	3
945	278	945	0:SP3_SP2_SP3	P	Ge[6]	P	3:3:1:	3:3:3:	3:3:1:	Ge[6]-3:P-3:H-1:	N[6]-3:N[6]-3:P-3:	Ge[6]-3:P-3:H-1:	P(Ge[6]N[6]2)(PGe[6]H)(H)	Ge[6](N[6]C[6a]C[6])2(PHP)	P(Ge[6]N[6]2)(PGe[6]H)(H)	P(Ge[6]N[6]2)(PGe[6]H)(H)	Ge[6](N[6]C[6a]C[6])2(PHP){2|C<4>,5|C<3>}	P(Ge[6]N[6]2)(PGe[6]H)(H)	93.0897	0.000	1	93.0897	0.000	1	93.0897	0.000	1	93.0897	0.000	1	93.0897	0.000	1	93.0897	0.000	1
945	278	951	0:SP3_SP-NON_SP2	P	Ge[6]	H	3:3:1:	3:3:3:	3:	Ge[6]-3:P-3:H-1:	N[6]-3:N[6]-3:P-3:	P-3:	P(Ge[6]N[6]2)(PGe[6]H)(H)	Ge[6](N[6]C[6a]C[6])2(PHP)	H(PGe[6]P)	P(Ge[6]N[6]2)(PGe[6]H)(H)	Ge[6](N[6]C[6a]C[6])2(PHP){2|C<4>,5|C<3>}	H(PGe[6]P)	89.0067	0.000	1	89.0067	0.000	1	89.0067	0.000	1	89.0067	0.000	1	88.6985	0.190	2	88.6985	0.190	2
945	278	951	0:SP3_SP-NON_SP2	P	Ge[6]	H	3:4:1:	3:3:3:	3:	Ge[6]-3:Si-4:H-1:	N[6]-3:N[6]-3:P-3:	P-3:	P(Ge[6]N[6]2)(SiC3)(H)	Ge[6](N[6]C[6a]C[6])2(PSiH)	H(PGe[6]Si)	P(Ge[6]N[6]2)(SiC3)(H)	Ge[6](N[6]C[6a]C[6])2(PSiH){2|C<4>,5|C<3>}	H(PGe[6]Si)	88.3904	0.000	1	88.3904	0.000	1	88.3904	0.000	1	88.3904	0.000	1	88.6985	0.190	2	88.6985	0.190	2
945	310	490	0:SP3_SP3_SP3	P	Ge	C	4:4:1:	3:3:3:1:	3:4:4:4:	Ge-4:C-4:Cl-1:	N-3:N-3:P-3:Cl-1:	P-3:C-4:C-4:C-4:	P(GeClNN)(CC3)(Cl)	Ge(NSi2)2(PClC)(Cl)	C(PClGe)(CH3)3	P(GeClNN)(CC3)(Cl)	Ge(NSi2)2(PClC)(Cl)	C(PClGe)(CH3)3	109.8210	0.000	1	109.8210	0.000	1	109.8210	0.000	1	109.8210	0.000	1	109.8210	0.000	1	109.8210	0.000	1
945	310	643	0:SP3_SP2_SP3	P	Ge	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:Ge-4:	P-3:N-3:N-3:Cl-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(GeClNN)	Ge(PC[6a]2)(NSi2)2(Cl)	C[6a](C[6a]C[6a]H)2(PC[6a]Ge)	P(C[6a]C[6a]2)2(GeClNN)	Ge(PC[6a]2)(NSi2)2(Cl)	C[6a](C[6a]C[6a]H)2(PC[6a]Ge){1|C<3>,2|H<1>}	100.3803	2.510	2	100.3803	6.299	2	100.3803	6.299	2	100.3803	6.299	2	100.3803	6.299	2	100.3803	6.299	2
945	310	790	0:SP3_SP-NON_SP3	P	Ge	Cl	4:4:1:	3:3:3:1:	3:	Ge-4:C-4:Cl-1:	N-3:N-3:P-3:Cl-1:	P-3:	P(GeClNN)(CC3)(Cl)	Ge(NSi2)2(PClC)(Cl)	Cl(PGeC)	P(GeClNN)(CC3)(Cl)	Ge(NSi2)2(PClC)(Cl)	Cl(PGeC)	97.1370	0.000	1	97.1370	0.000	1	97.1370	0.000	1	97.1370	0.000	1	97.1370	0.000	1	97.1370	0.000	1
945	362	643	0:SP3_SP2_SPD6	P	C[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:P-3:	P-3:C[6a]-3:C[6a]-3:	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(PC[6a]2)	C[6a](PC[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)2	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(C[6a]C[6a]2)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)3(PC[6a]2){1|B<6>,1|P<3>,4|H<1>}	C[6a](PC[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	103.6925	1.117	4	103.6925	1.247	4	103.6925	1.247	4	103.8840	1.118	5	103.8840	1.118	5	103.8840	1.118	5
945	362	643	0:SP3_SP2_SPD6	P	C[5x3,5x5,20x6]	C[6a]	6:3:3:	6:6:6:6:6:3:	3:3:3:	C[5x3,5x5,20x6]-6:C[6a]-3:C[6a]-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:P-3:	P-3:C[6a]-3:C[6a]-3:	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[6a]2)	C[6a](PC[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)2	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6a]C[6a]2)2	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[6a]2){1|B<6>,5|H<1>}	C[6a](PC[5x3,5x5,20x6]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	104.6500	0.000	1	104.6500	0.000	1	104.6500	0.000	1	103.8840	1.118	5	103.8840	1.118	5	103.8840	1.118	5
945	362	790	0:SP3_SP-NON_SPD6	P	C[5x3,5x5,20x6]	Cl	6:4:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:C[5]-4:Cl-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:P-3:	P-3:	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]2Fe)(Cl)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[5]Cl)	Cl(PC[5x3,5x5,20x6]C[5])	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]2Fe)(Cl)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[5]Cl){1|B<6>,5|H<1>}	Cl(PC[5x3,5x5,20x6]C[5])	97.6052	0.147	2	97.6052	0.022	2	97.6052	0.022	2	97.6052	0.022	2	97.6052	0.022	2	97.6052	0.022	2
945	362	818	0:SP3_SP2_SPD6	P	C[5x3,5x5,20x6]	C[5]	6:3:3:	6:6:6:6:6:3:	3:3:3:	C[5x3,5x5,20x6]-6:C[5]-3:N-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:P-3:	C[5,6a]-3:P-3:C[5]-3:	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5,6a]C[5])(NCC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(PC[5x3,5x5,20x6]N)(C[5]C[5]H)	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5,6a]C[5])(NCC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[5]N){1|B<6>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(PC[5x3,5x5,20x6]N)(C[5]C[5]H){2|C<3>,2|H<1>}	101.6650	0.000	1	101.9630	0.178	2	101.9630	0.178	2	101.9630	0.178	2	101.9630	0.178	2	101.9630	0.178	2
945	362	818	0:SP3_SP2_SPD6	P	C[5x3,5x5,20x6]	C[5]	6:3:3:	6:6:6:6:6:3:	3:3:3:	C[5x3,5x5,20x6]-6:C[5]-3:N-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:P-3:	C[5,6a]-3:P-3:C[5]-3:	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5,6a]C[5])(NCC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[5]N)	C[5](C[5,6a]C[5,6a]C[6a])(PC[5x3,5x5,20x6]N)(C[5]C[5]H)	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5,6a]C[5])(NCC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[5]N){1|B<6>,5|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(PC[5x3,5x5,20x6]N)(C[5]C[5]H){2|C<3>,3|H<1>}	102.2610	0.000	1	101.9630	0.178	2	101.9630	0.178	2	101.9630	0.178	2	101.9630	0.178	2	101.9630	0.178	2
945	362	893	0:SP3_SP3_SPD6	P	C[5x3,5x5,20x6]	O	6:4:2:	6:6:6:6:6:3:	3:4:	C[5x3,5x5,20x6]-6:C[5]-4:O-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:P-3:	P-3:C-4:	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]2Fe)(OC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[5]O)	O(PC[5x3,5x5,20x6]C[5])(CCCH)	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]2Fe)(OC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[5]O){1|B<6>,5|H<1>}	O(PC[5x3,5x5,20x6]C[5])(CCCH)	101.1530	0.000	1	101.1530	0.000	1	100.8750	0.564	4	100.8750	0.564	4	100.8750	0.564	4	100.8750	0.564	4
945	362	893	0:SP3_SP3_SPD6	P	C[5x3,5x5,20x6]	O	6:4:2:	6:6:6:6:6:3:	3:4:	C[5x3,5x5,20x6]-6:C[5]-4:O-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:P-3:	P-3:C-4:	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]2Fe)(OC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[5]O)	O(PC[5x3,5x5,20x6]C[5])(CCHH)	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]2Fe)(OC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[5]O){1|B<6>,5|H<1>}	O(PC[5x3,5x5,20x6]C[5])(CCHH)	100.9800	1.164	2	100.9800	1.355	2	100.8750	0.564	4	100.8750	0.564	4	100.8750	0.564	4	100.8750	0.564	4
945	362	893	0:SP3_SP3_SPD6	P	C[5x3,5x5,20x6]	O	6:4:2:	6:6:6:6:6:3:	3:4:	C[5x3,5x5,20x6]-6:C[5]-4:O-2:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:P-3:	P-3:C-4:	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]2Fe)(OC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[5]O)	O(PC[5x3,5x5,20x6]C[5])(CH3)	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]2Fe)(OC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[5]O){1|B<6>,5|H<1>}	O(PC[5x3,5x5,20x6]C[5])(CH3)	100.3870	0.000	1	100.3870	0.000	1	100.8750	0.564	4	100.8750	0.564	4	100.8750	0.564	4	100.8750	0.564	4
945	362	951	0:SP3_SP-NON_SPD6	P	C[5x3,5x5,20x6]	H	6:4:1:	6:6:6:6:6:3:	3:	C[5x3,5x5,20x6]-6:C[5]-4:H-1:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:P-3:	P-3:	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]2Fe)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[5]H)	H(PC[5x3,5x5,20x6]C[5])	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5]2Fe)(H)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[5]H){1|B<6>,5|H<1>}	H(PC[5x3,5x5,20x6]C[5])	94.5049	0.000	1	94.5049	0.000	1	94.5049	0.000	1	94.5049	0.000	1	94.5049	0.000	1	94.5049	0.000	1
945	362	956	0:SP3_SP2_SPD6	P	C[5x3,5x5,20x6]	N	6:3:3:	6:6:6:6:6:3:	3:4:4:	C[5x3,5x5,20x6]-6:C[5]-3:N-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:P-3:	P-3:C-4:C-4:	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5,6a]C[5])(NCC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[5]N)	N(PC[5x3,5x5,20x6]C[5])(CCCH)2	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5,6a]C[5])(NCC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[5]N){1|B<6>,5|H<1>}	N(PC[5x3,5x5,20x6]C[5])(CCCH)2	103.7980	0.000	1	103.7980	0.000	1	103.7980	0.000	1	103.7980	0.000	1	103.7980	0.000	1	103.7980	0.000	1
945	362	956	0:SP3_SP3_SPD6	P	C[5x3,5x5,20x6]	N	6:3:3:	6:6:6:6:6:3:	3:4:4:	C[5x3,5x5,20x6]-6:C[5]-3:N-3:	B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:B[5x3,5x5,20x6]-6:C[5x3,5x5,20x6]-6:P-3:	P-3:C-4:C-4:	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5,6a]C[5])(NCC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[5]N)	N(PC[5x3,5x5,20x6]C[5])(CCCH)2	P(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[5]C[5,6a]C[5])(NCC)	C[5x3,5x5,20x6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]H)2(B[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)2(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4H)(PC[5]N){1|B<6>,5|H<1>}	N(PC[5x3,5x5,20x6]C[5])(CCCH)2	107.6930	0.000	1	107.6930	0.000	1	107.6930	0.000	1	107.6930	0.000	1	107.6930	0.000	1	107.6930	0.000	1
945	394	394	0:SP3_SPD5_SPD5	P	P[5,5]	P[5,5]	5:5:5:	3:3:3:2:2:	3:3:3:2:2:	P[5,5]-5:P[5,5]-5:P[5,5]-5:	C[6a]-3:N[5,5]-3:P-3:O[5]-2:O[5]-2:	C[6a]-3:N[5,5]-3:P-3:O[5]-2:O[5]-2:	P(P[5,5]N[5,5]C[6a]O[5]2)3	P[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(PP[5,5]2)(O[5]C[5])2	P[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(PP[5,5]2)(O[5]C[5])2	P(P[5,5]N[5,5]C[6a]O[5]2)3	P[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(PP[5,5]2)(O[5]C[5])2{2|C<3>,2|O<1>,6|H<1>}	P[5,5](C[6a]C[6a]2)(N[5,5]C[5]2)(PP[5,5]2)(O[5]C[5])2{2|C<3>,2|O<1>,6|H<1>}	105.2807	0.489	3	105.2807	0.239	3	105.2807	0.239	3	105.2807	0.239	3	105.2807	0.239	3	105.2807	0.239	3
945	430	430	0:SP3_SP-NON_SP-NON	P	Se	Se	3:1:1:	3:	3:	C[6a]-3:Se-1:Se-1:	P-3:	P-3:	P(C[6a]C[6a,6a]C[6a])(Se)2	Se(PC[6a]Se)	Se(PC[6a]Se)	P(C[6a]C[6a,6a]C[6a])(Se)2	Se(PC[6a]Se)	Se(PC[6a]Se)	121.5580	0.000	1	121.5580	0.000	1	121.5580	0.000	1	121.5580	0.000	1	121.5580	0.000	1	121.5580	0.000	1
945	430	643	0:SP3_SP-NON_SP2	P	Se	C[6a]	3:1:1:	3:	3:3:3:	C[6a]-3:Se-1:Se-1:	P-3:	C[6a,6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a,6a]C[6a])(Se)2	Se(PC[6a]Se)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PSe2)	P(C[6a]C[6a,6a]C[6a])(Se)2	Se(PC[6a]Se)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PSe2){1|H<1>,1|P<3>,3|C<3>}	110.6995	1.305	2	110.6995	1.702	2	110.6995	1.702	2	110.6995	1.702	2	110.6995	1.702	2	110.6995	1.702	2
945	466	466	0:SP3_SP3_SP3	P	C[3x6]	C[3x6]	4:4:3:	4:4:4:3:	4:4:4:3:	C[3x6]-4:C[3x6]-4:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-3:	P(C[3x6]C[6,6]3)2(C[6a]C[6a]2)	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]C[6a])	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]C[6a])	P(C[3x6]C[6,6]3)2(C[6a]C[6a]2)	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]C[6a]){3|C<4>,3|H<1>}	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]C[6a]){3|C<4>,3|H<1>}	111.1360	0.000	1	111.1360	0.000	1	111.1360	0.000	1	111.1360	0.000	1	111.1360	0.000	1	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	3:4:4:	4:4:3:1:	4:4:3:1:	C[5]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[5]C[5,6a]C[5])(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[5]C[6])(H)	C[6](C[6]C[6]HH)2(PC[5]C[6])(H)	P(C[5]C[5,6a]C[5])(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[5]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[5]C[6])(H){1|C<4>,4|H<1>}	102.5640	0.000	1	102.5640	0.000	1	102.5640	0.000	1	103.7222	1.750	21	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	3:4:4:	4:4:3:1:	4:4:3:1:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[5a]C[5a]O[5a])(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[5a]C[6])(H)	C[6](C[6]C[6]HH)2(PC[5a]C[6])(H)	P(C[5a]C[5a]O[5a])(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[5a]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[5a]C[6])(H){1|C<4>,4|H<1>}	103.2460	0.000	1	103.2460	0.000	1	103.2460	0.000	1	103.7222	1.750	21	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	3:4:4:	4:4:3:1:	4:4:3:1:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[6]C[6]N[6])(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6]2)(H)	C[6](C[6]C[6]HH)2(PC[6]2)(H)	P(C[6]C[6]N[6])(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6]2)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2)(H){1|C<4>,4|H<1>}	103.5860	1.847	4	103.5860	3.410	4	103.5860	3.410	4	103.7222	1.750	21	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	3:4:4:	4:4:3:1:	4:4:3:1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H)	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H)	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H){1|C<4>,4|H<1>}	103.8706	1.325	14	103.8706	1.754	14	103.8675	1.629	15	103.7222	1.750	21	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	3:4:4:	4:4:3:1:	4:4:3:1:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[6a]N[5a,6a]C[6a])(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H)	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H)	P(C[6a]N[5a,6a]C[6a])(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H){1|C<4>,4|H<1>}	103.8230	0.000	1	103.8230	0.000	1	103.8675	1.629	15	103.7222	1.750	21	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	4:4:2:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[6]C[6]2H)2(CC)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	P(C[6]C[6]2H)2(CC)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	102.7880	0.000	1	102.7880	0.000	1	102.7880	0.000	1	101.8670	1.696	2	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	4:4:2:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:Se-2:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[6]C[6]2H)2(SeGe[6])	C[6](C[6]C[6]HH)2(PC[6]Se)(H)	C[6](C[6]C[6]HH)2(PC[6]Se)(H)	P(C[6]C[6]2H)2(SeGe[6])	C[6](C[6]C[6]HH)2(PC[6]Se)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]Se)(H){1|C<4>,4|H<1>}	100.9460	0.000	1	100.9460	0.000	1	100.9460	0.000	1	101.8670	1.696	2	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:B-3:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[6]C[6]2H)2(BBrN)	C[6](C[6]C[6]HH)2(PC[6]B)(H)	C[6](C[6]C[6]HH)2(PC[6]B)(H)	P(C[6]C[6]2H)2(BBrN)	C[6](C[6]C[6]HH)2(PC[6]B)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]B)(H){1|C<4>,4|H<1>}	104.7980	0.000	1	104.7980	0.000	1	106.6342	11.605	5	104.4730	5.743	29	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:B-3:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[6]C[6]2H)2(BC[6a]2)	C[6](C[6]C[6]HH)2(PC[6]B)(H)	C[6](C[6]C[6]HH)2(PC[6]B)(H)	P(C[6]C[6]2H)2(BC[6a]2)	C[6](C[6]C[6]HH)2(PC[6]B)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]B)(H){1|C<4>,4|H<1>}	112.5310	0.000	1	112.5310	0.000	1	106.6342	11.605	5	104.4730	5.743	29	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:B-3:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[6]C[6]2H)2(BNP)	C[6](C[6]C[6]HH)2(PC[6]B)(H)	C[6](C[6]C[6]HH)2(PC[6]B)(H)	P(C[6]C[6]2H)2(BNP)	C[6](C[6]C[6]HH)2(PC[6]B)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]B)(H){1|C<4>,4|H<1>}	105.2807	1.179	3	105.2807	1.390	3	106.6342	11.605	5	104.4730	5.743	29	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[6]C[6]2H)2(CCH)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	P(C[6]C[6]2H)2(CCH)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	102.7510	0.000	1	102.7510	0.000	1	103.4189	3.526	10	104.4730	5.743	29	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[6]C[6]2H)2(CC[6a]C)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	P(C[6]C[6]2H)2(CC[6a]C)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	105.2950	0.000	1	105.2950	0.000	1	103.4189	3.526	10	104.4730	5.743	29	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[6]C[6]2H)2(CC[6a]P)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	P(C[6]C[6]2H)2(CC[6a]P)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	101.7711	1.635	4	101.7711	2.674	4	103.4189	3.526	10	104.4730	5.743	29	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[6]C[6]2H)2(CNN)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	P(C[6]C[6]2H)2(CNN)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	104.7647	0.738	4	104.7647	0.545	4	103.4189	3.526	10	104.4730	5.743	29	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[6]C[6]2H)2(C[5]N[5]2)	C[6](C[6]C[6]HH)2(PC[5]C[6])(H)	C[6](C[6]C[6]HH)2(PC[5]C[6])(H)	P(C[6]C[6]2H)2(C[5]N[5]2)	C[6](C[6]C[6]HH)2(PC[5]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[5]C[6])(H){1|C<4>,4|H<1>}	107.5985	0.967	2	107.5985	0.934	2	107.5985	0.934	2	104.4730	5.743	29	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:Ge[6]-3:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[6]C[6]2H)2(Ge[6]N[6]2)	C[6](C[6]C[6]HH)2(PGe[6]C[6])(H)	C[6](C[6]C[6]HH)2(PGe[6]C[6])(H)	P(C[6]C[6]2H)2(Ge[6]N[6]2)	C[6](C[6]C[6]HH)2(PGe[6]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PGe[6]C[6])(H){1|C<4>,4|H<1>}	102.2300	0.000	1	102.2300	0.000	1	102.2300	0.000	1	104.4730	5.743	29	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:N-3:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[6]C[6]2H)2(NCP)	C[6](C[6]C[6]HH)2(PC[6]N)(H)	C[6](C[6]C[6]HH)2(PC[6]N)(H)	P(C[6]C[6]2H)2(NCP)	C[6](C[6]C[6]HH)2(PC[6]N)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]N)(H){1|C<4>,4|H<1>}	104.3405	1.986	2	104.3405	3.945	2	103.8954	2.160	5	104.4730	5.743	29	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:N-3:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[6]C[6]2H)2(NC[6a]2)	C[6](C[6]C[6]HH)2(PC[6]N)(H)	C[6](C[6]C[6]HH)2(PC[6]N)(H)	P(C[6]C[6]2H)2(NC[6a]2)	C[6](C[6]C[6]HH)2(PC[6]N)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]N)(H){1|C<4>,4|H<1>}	105.2390	0.000	1	105.2390	0.000	1	103.8954	2.160	5	104.4730	5.743	29	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:N-3:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[6]C[6]2H)2(NC[6a]H)	C[6](C[6]C[6]HH)2(PC[6]N)(H)	C[6](C[6]C[6]HH)2(PC[6]N)(H)	P(C[6]C[6]2H)2(NC[6a]H)	C[6](C[6]C[6]HH)2(PC[6]N)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]N)(H){1|C<4>,4|H<1>}	102.7785	0.018	2	102.7785	0.000	2	103.8954	2.160	5	104.4730	5.743	29	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:P-3:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[6]C[6]2H)2(PC[6]2)	C[6](C[6]C[6]HH)2(PC[6]P)(H)	C[6](C[6]C[6]HH)2(PC[6]P)(H)	P(C[6]C[6]2H)2(PC[6]2)	C[6](C[6]C[6]HH)2(PC[6]P)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]P)(H){1|C<4>,4|H<1>}	104.0700	0.611	2	104.0700	0.373	2	104.2420	2.409	6	104.4730	5.743	29	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:P-3:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[6]C[6]2H)2(PC[6a]P)	C[6](C[6]C[6]HH)2(PC[6]P)(H)	C[6](C[6]C[6]HH)2(PC[6]P)(H)	P(C[6]C[6]2H)2(PC[6a]P)	C[6](C[6]C[6]HH)2(PC[6]P)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]P)(H){1|C<4>,4|H<1>}	104.0457	2.305	3	104.0457	5.314	3	104.2420	2.409	6	104.4730	5.743	29	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	4:4:3:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:P-3:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[6]C[6]2H)2(PN[5a]P)	C[6](C[6]C[6]HH)2(PC[6]P)(H)	C[6](C[6]C[6]HH)2(PC[6]P)(H)	P(C[6]C[6]2H)2(PN[5a]P)	C[6](C[6]C[6]HH)2(PC[6]P)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]P)(H){1|C<4>,4|H<1>}	105.1750	0.000	1	105.1750	0.000	1	104.2420	2.409	6	104.4730	5.743	29	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	4:4:4:	4:4:3:1:	4:4:3:1:	B-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(BC[6a]2N[6])(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6]B)(H)	C[6](C[6]C[6]HH)2(PC[6]B)(H)	P(BC[6a]2N[6])(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6]B)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]B)(H){1|C<4>,4|H<1>}	104.2040	0.000	1	104.2040	0.000	1	104.2040	0.000	1	105.3719	10.340	36	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	4:4:4:	4:4:3:1:	4:4:3:1:	C[5]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[5]C[5]2Cr)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[5]C[6])(H)	C[6](C[6]C[6]HH)2(PC[5]C[6])(H)	P(C[5]C[5]2Cr)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[5]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[5]C[6])(H){1|C<4>,4|H<1>}	103.7640	0.000	1	103.7640	0.000	1	103.7679	3.587	8	105.3719	10.340	36	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	4:4:4:	4:4:3:1:	4:4:3:1:	C[5]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[5]C[5]2Fe)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[5]C[6])(H)	C[6](C[6]C[6]HH)2(PC[5]C[6])(H)	P(C[5]C[5]2Fe)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[5]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[5]C[6])(H){1|C<4>,4|H<1>}	104.5225	2.558	4	104.5225	6.541	4	103.7679	3.587	8	105.3719	10.340	36	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	4:4:4:	4:4:3:1:	4:4:3:1:	C[5]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[5]C[5]2Zr)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[5]C[6])(H)	C[6](C[6]C[6]HH)2(PC[5]C[6])(H)	P(C[5]C[5]2Zr)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[5]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[5]C[6])(H){1|C<4>,4|H<1>}	102.7630	0.300	3	102.7630	0.090	3	103.7679	3.587	8	105.3719	10.340	36	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	4:4:4:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:B-4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[6]C[6]2H)2(BHHP)	C[6](C[6]C[6]HH)2(PC[6]B)(H)	C[6](C[6]C[6]HH)2(PC[6]B)(H)	P(C[6]C[6]2H)2(BHHP)	C[6](C[6]C[6]HH)2(PC[6]B)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]B)(H){1|C<4>,4|H<1>}	110.2800	0.837	2	110.2800	0.701	2	110.2800	0.701	2	105.3719	10.340	36	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	4:4:4:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[6]C[6]2H)2(CC[5]CC)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	P(C[6]C[6]2H)2(CC[5]CC)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	103.2880	0.000	1	103.2880	0.000	1	103.9094	4.923	14	105.3719	10.340	36	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	4:4:4:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[6]C[6]2H)2(CC[5]CH)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	P(C[6]C[6]2H)2(CC[5]CH)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	104.1967	2.761	4	104.1967	7.624	4	103.9094	4.923	14	105.3719	10.340	36	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	4:4:4:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[6]C[6]2H)2(CC[6a]CH)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	P(C[6]C[6]2H)2(CC[6a]CH)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	107.4970	0.000	1	107.4970	0.000	1	103.9094	4.923	14	105.3719	10.340	36	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	4:4:4:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[6]C[6]2H)2(CC[6a]MnC)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	P(C[6]C[6]2H)2(CC[6a]MnC)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	100.8860	0.000	1	100.8860	0.000	1	103.9094	4.923	14	105.3719	10.340	36	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	4:4:4:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[6]C[6]2H)2(CCrCC)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	P(C[6]C[6]2H)2(CCrCC)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	101.8110	0.000	1	101.8110	0.000	1	103.9094	4.923	14	105.3719	10.340	36	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	4:4:4:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[6]C[6]2H)2(CHHP)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	P(C[6]C[6]2H)2(CHHP)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	102.6647	0.639	3	102.6647	0.408	3	103.9094	4.923	14	105.3719	10.340	36	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	4:4:4:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[6]C[6]2H)2(CMgNN)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	P(C[6]C[6]2H)2(CMgNN)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	105.2380	0.000	1	105.2380	0.000	1	103.9094	4.923	14	105.3719	10.340	36	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	4:4:4:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[6]C[6]2H)2(CN[5a]HH)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	P(C[6]C[6]2H)2(CN[5a]HH)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	105.6150	0.974	2	105.6150	0.949	2	103.9094	4.923	14	105.3719	10.340	36	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	4:4:4:	4:4:3:1:	4:4:3:1:	C[6]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(C[6]C[6]2H)3	C[6](C[6]C[6]HH)2(PC[6]2)(H)	C[6](C[6]C[6]HH)2(PC[6]2)(H)	P(C[6]C[6]2H)3	C[6](C[6]C[6]HH)2(PC[6]2)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PC[6]2)(H){1|C<4>,4|H<1>}	108.0564	2.893	9	108.0564	8.367	9	108.0564	8.367	9	105.3719	10.340	36	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	4:4:4:	4:4:3:1:	4:4:3:1:	Ge[6]-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P(Ge[6]N[6]2Se)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PGe[6]C[6])(H)	C[6](C[6]C[6]HH)2(PGe[6]C[6])(H)	P(Ge[6]N[6]2Se)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PGe[6]C[6])(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(PGe[6]C[6])(H){1|C<4>,4|H<1>}	105.6210	6.333	2	105.6210	40.105	2	105.6210	40.105	2	105.3719	10.340	36	104.6910	7.244	90	104.7618	7.620	91
945	466	466	0:SP3_SP3_SP3	P	C[6]	C[6]	5:4:4:	3:4:4:1:	3:4:4:1:	C[3x3,4,3x5,14x6]-5:C[6]-4:C[6]-4:	P-3:C[6]-4:C[6]-4:H-1:	P-3:C[6]-4:C[6]-4:H-1:	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]2H)2	C[6](PC[3x3,4,3x5,14x6]C[6])(C[6]C[6]HH)2(H)	C[6](PC[3x3,4,3x5,14x6]C[6])(C[6]C[6]HH)2(H)	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]2H)2	C[6](PC[3x3,4,3x5,14x6]C[6])(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[6](PC[3x3,4,3x5,14x6]C[6])(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	108.5930	1.082	2	108.5930	1.170	2	108.5930	1.170	2	108.5930	1.170	2	104.6910	7.244	90	104.7618	7.620	91
945	466	490	0:SP3_SP3_SP3	P	C[3x6]	C	4:4:1:	4:4:4:3:	4:3:4:1:	C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-3:	C[5]-4:P-3:C-4:H-1:	P(C[3x6]C[6,6]3)(CC[5]CH)(H)	C[3x6](C[6,6]C[3x6]HH)3(PCH)	C(C[5]C[5]2Fe)(PC[3x6]H)(CH3)(H)	P(C[3x6]C[6,6]3)(CC[5]CH)(H)	C[3x6](C[6,6]C[3x6]HH)3(PCH){3|C<4>,3|H<1>}	C(C[5]C[5]2Fe)(PC[3x6]H)(CH3)(H)	106.9440	0.000	1	106.9440	0.000	1	106.9440	0.000	1	106.9440	0.000	1	106.9440	0.000	1	101.6964	7.914	29
945	466	490	0:SP3_SP3_SP3	P	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:P-3:H-1:	P-3:N-3:H-1:H-1:	P(C[6]C[6]2H)(CCHH)(CHHN)	C[6](C[6]C[6]HH)2(PCC)(H)	C(PC[6]C)(NCC)(H)2	P(C[6]C[6]2H)(CCHH)(CHHN)	C[6](C[6]C[6]HH)2(PCC)(H){1|C<4>,4|H<1>}	C(PC[6]C)(NCC)(H)2	97.8697	0.000	1	97.8697	0.000	1	97.8697	0.000	1	99.7477	6.686	11	101.5090	7.151	28	101.6964	7.914	29
945	466	490	0:SP3_SP3_SP3	P	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:P-3:H-1:	N[5a]-3:P-3:H-1:H-1:	P(C[6]C[6]2H)2(CN[5a]HH)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C(N[5a]C[5a,6a]B[5a])(PC[6]2)(H)2	P(C[6]C[6]2H)2(CN[5a]HH)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C(N[5a]C[5a,6a]B[5a])(PC[6]2)(H)2	99.1351	1.261	4	99.1351	1.590	4	99.1351	1.590	4	99.7477	6.686	11	101.5090	7.151	28	101.6964	7.914	29
945	466	490	0:SP3_SP3_SP3	P	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:P-3:H-1:	P-3:P-3:H-1:H-1:	P(C[6]C[6]2H)2(CHHP)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C(PC[6]2)(PCC)(H)2	P(C[6]C[6]2H)2(CHHP)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C(PC[6]2)(PCC)(H)2	100.0814	3.825	2	100.0814	14.630	2	100.4691	10.788	6	99.7477	6.686	11	101.5090	7.151	28	101.6964	7.914	29
945	466	490	0:SP3_SP3_SP3	P	C[6]	C	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:P-3:H-1:	P-3:P-3:H-1:H-1:	P(C[6]C[6]2H)2(CHHP)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C(PC[6]2)2(H)2	P(C[6]C[6]2H)2(CHHP)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C(PC[6]2)2(H)2	100.6629	3.599	4	100.6629	12.953	4	100.4691	10.788	6	99.7477	6.686	11	101.5090	7.151	28	101.6964	7.914	29
945	466	490	0:SP3_SP3_SP3	P	C[6]	C	4:4:4:	4:4:3:1:	3:4:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:P-3:H-1:	P-3:C-4:H-1:H-1:	P(C[6]C[6]2H)(CCHH)(CHHN)	C[6](C[6]C[6]HH)2(PCC)(H)	C(PC[6]C)(CCHH)(H)2	P(C[6]C[6]2H)(CCHH)(CHHN)	C[6](C[6]C[6]HH)2(PCC)(H){1|C<4>,4|H<1>}	C(PC[6]C)(CCHH)(H)2	98.1932	0.000	1	98.1932	0.000	1	98.1932	0.000	1	98.1932	0.000	1	101.5090	7.151	28	101.6964	7.914	29
945	466	490	0:SP3_SP3_SP3	P	C[6]	C	4:4:4:	4:4:3:1:	3:4:3:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:P-3:H-1:	C[6a]-3:C-4:P-3:H-1:	P(C[6]C[6]2H)2(CC[6a]CH)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C(C[6a]C[6a]2)(CC[6a]HP)(PC[6]2)(H)	P(C[6]C[6]2H)2(CC[6a]CH)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(CC[6a]HP)(PC[6]2)(H)	103.5695	0.868	2	103.5695	0.753	2	103.5695	0.753	2	103.5695	0.753	2	101.5090	7.151	28	101.6964	7.914	29
945	466	490	0:SP3_SP3_SP3	P	C[6]	C	4:4:4:	4:4:3:1:	4:3:1:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:P-3:H-1:	C[5]-4:P-3:H-1:H-1:	P(C[6]C[6]2H)(CC[5]HH)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PCC)(H)	C(C[5]C[5]2Fe)(PC[6]C)(H)2	P(C[6]C[6]2H)(CC[5]HH)2	C[6](C[6]C[6]CH)(C[6]C[6]HH)(PCC)(H){2|C<4>,3|H<1>}	C(C[5]C[5]2Fe)(PC[6]C)(H)2	101.6500	0.643	2	101.6500	0.414	2	101.6500	0.414	2	101.6500	0.414	2	101.5090	7.151	28	101.6964	7.914	29
945	466	490	0:SP3_SP3_SP3	P	C[6]	C	4:4:4:	4:4:3:1:	4:3:4:1:	C[6]-4:C-4:C-4:	C[6]-4:C[6]-4:P-3:H-1:	C[5]-4:P-3:C-4:H-1:	P(C[6]C[6]2H)(CC[5]CH)2	C[6](C[6]C[6]HH)2(PCC)(H)	C(C[5]C[5]2Fe)(PC[6]C)(CH3)(H)	P(C[6]C[6]2H)(CC[5]CH)2	C[6](C[6]C[6]HH)2(PCC)(H){1|C<4>,4|H<1>}	C(C[5]C[5]2Fe)(PC[6]C)(CH3)(H)	102.2165	0.627	2	102.2165	0.393	2	102.2165	0.393	2	102.8287	4.474	10	101.5090	7.151	28	101.6964	7.914	29
945	466	490	0:SP3_SP3_SP3	P	C[6]	C	4:4:4:	4:4:3:1:	4:3:4:1:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:P-3:H-1:	C[5]-4:P-3:C-4:H-1:	P(C[6]C[6]2H)2(CC[5]CH)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C(C[5]C[5]2Fe)(PC[6]2)(CCHH)(H)	P(C[6]C[6]2H)2(CC[5]CH)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C(C[5]C[5]2Fe)(PC[6]2)(CCHH)(H)	102.9818	2.358	8	102.9818	5.562	8	102.9818	5.562	8	102.8287	4.474	10	101.5090	7.151	28	101.6964	7.914	29
945	466	490	0:SP3_SP3_SP3	P	C[6]	C	4:4:4:	4:4:3:1:	4:3:4:4:	C[6]-4:C[6]-4:C-4:	C[6]-4:C[6]-4:P-3:H-1:	C[5]-4:P-3:C-4:C-4:	P(C[6]C[6]2H)2(CC[5]CC)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C(C[5]C[5]2Ti)(PC[6]2)(CH3)2	P(C[6]C[6]2H)2(CC[5]CC)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C(C[5]C[5]2Ti)(PC[6]2)(CH3)2	104.0540	0.873	2	104.0540	0.761	2	104.0540	0.761	2	104.0540	0.761	2	101.5090	7.151	28	101.6964	7.914	29
945	466	610	0:SP3_SP3_SP3	P	C[6]	B	4:4:4:	4:4:3:1:	3:3:1:1:	C[6]-4:C[6]-4:B-4:	C[6]-4:C[6]-4:P-3:H-1:	P-3:P-3:H-1:H-1:	P(C[6]C[6]2H)2(BHHP)	C[6](C[6]C[6]HH)2(PC[6]B)(H)	B(PC[6]2)2(H)2	P(C[6]C[6]2H)2(BHHP)	C[6](C[6]C[6]HH)2(PC[6]B)(H){1|C<4>,4|H<1>}	B(PC[6]2)2(H)2	113.1565	3.304	4	113.1565	10.915	4	113.1565	10.915	4	113.1565	10.915	4	110.5543	29.465	6	110.5543	29.465	6
945	466	610	0:SP3_SP3_SP3	P	C[6]	B	4:4:4:	4:4:3:1:	3:3:3:3:	B-4:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:P-3:H-1:	C[6a]-3:C[6a]-3:N[6]-3:P-3:	P(BC[6a]2N[6])(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6]B)(H)	B(C[6a]C[6a]2)2(N[6]C[6]2)(PC[6]2)	P(BC[6a]2N[6])(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6]B)(H){1|C<4>,4|H<1>}	B(C[6a]C[6a]2)2(N[6]C[6]2)(PC[6]2)	105.3500	5.773	2	105.3500	33.325	2	105.3500	33.325	2	105.3500	33.325	2	110.5543	29.465	6	110.5543	29.465	6
945	466	643	0:SP3_SP2_SP3	P	C[3x6]	C[6a]	4:4:3:	4:4:4:3:	3:3:3:	C[3x6]-4:C[3x6]-4:C[6a]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-3:	C[6a]-3:C[6a]-3:P-3:	P(C[3x6]C[6,6]3)2(C[6a]C[6a]2)	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]C[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[3x6]2)	P(C[3x6]C[6,6]3)2(C[6a]C[6a]2)	C[3x6](C[6,6]C[3x6]HH)3(PC[3x6]C[6a]){3|C<4>,3|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[3x6]2){1|C<3>,2|H<1>}	103.1115	3.789	2	103.1115	14.359	2	103.1115	14.359	2	103.1115	14.359	2	103.1115	14.359	2	102.0802	3.618	42
945	466	643	0:SP3_SP2_SP3	P	C[6,6]	C[6a]	4:3:3:	3:3:3:1:	3:3:3:	C[6,6]-4:C[6a]-3:C[6a]-3:	N[3x6]-3:P[3x6]-3:P-3:H-1:	P-3:C[6a]-3:C[6a]-3:	P(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(PC[6a]2)(H)	C[6a](PC[6,6]C[6a])(C[6a]C[6a]H)2	P(C[6,6]N[3x6]P[3x6]H)(C[6a]C[6a]2)2	C[6,6](N[3x6]C[6,6]2)(P[3x6]C[6,6]2)(PC[6a]2)(H){2|N<3>,8|H<1>}	C[6a](PC[6,6]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	102.0785	2.327	2	102.0785	5.415	2	102.0785	5.415	2	102.0785	5.415	2	102.0785	5.415	2	102.0802	3.618	42
945	466	643	0:SP3_SP2_SP3	P	C[6]	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	N[6]-3:N[6]-3:P-3:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])2(PC[6a]2)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C[6])	P(C[6a]C[6a]2)2(C[6]N[6]2H)	C[6](N[6]C[6a]C[6])2(PC[6a]2)(H){1|C<4>,2|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(PC[6a]C[6]){1|C<3>,2|H<1>}	103.9610	2.042	2	103.9610	4.170	2	103.9610	4.170	2	103.9610	4.170	2	102.0260	3.414	38	102.0802	3.618	42
945	466	643	0:SP3_SP2_SP3	P	C[6]	C[6a]	3:3:4:	4:4:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[6]-4:	C[6]-4:C[6]-4:P-3:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(PC[6a]2)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C[6])	P(C[6a]C[6a]2)2(C[6]C[6]2H)	C[6](C[6]C[6]HH)2(PC[6a]2)(H){1|C<4>,2|H<1>,2|P<3>}	C[6a](C[6a]C[6a]H)2(PC[6a]C[6]){1|C<3>,2|H<1>}	102.8215	0.852	6	102.8215	0.725	6	102.8215	0.725	6	102.8215	0.725	6	102.0260	3.414	38	102.0802	3.618	42
945	466	643	0:SP3_SP2_SP3	P	C[6]	C[6a]	3:4:4:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:P-3:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(PC[6]2)	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(PC[6]2){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	102.8955	0.227	2	102.8955	0.052	2	101.7891	3.376	28	101.7380	3.612	30	102.0260	3.414	38	102.0802	3.618	42
945	466	643	0:SP3_SP2_SP3	P	C[6]	C[6a]	3:4:4:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:P-3:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6]2)	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6]2){2|H<1>,3|C<3>}	100.9295	1.851	10	101.0956	3.074	14	101.7891	3.376	28	101.7380	3.612	30	102.0260	3.414	38	102.0802	3.618	42
945	466	643	0:SP3_SP2_SP3	P	C[6]	C[6a]	3:4:4:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:P-3:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6]2)	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PC[6]2){2|O<2>,3|C<3>}	101.5111	1.650	4	101.0956	3.074	14	101.7891	3.376	28	101.7380	3.612	30	102.0260	3.414	38	102.0802	3.618	42
945	466	643	0:SP3_SP2_SP3	P	C[6]	C[6a]	3:4:4:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:P-3:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6]2)	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6]2){1|C<3>,2|H<1>}	100.4678	2.334	2	100.4678	5.446	2	101.7891	3.376	28	101.7380	3.612	30	102.0260	3.414	38	102.0802	3.618	42
945	466	643	0:SP3_SP2_SP3	P	C[6]	C[6a]	3:4:4:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:P-3:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(PC[6]2)	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(PC[6]2){1|C<3>,2|H<1>}	103.1180	1.529	2	103.1180	2.337	2	101.7891	3.376	28	101.7380	3.612	30	102.0260	3.414	38	102.0802	3.618	42
945	466	643	0:SP3_SP2_SP3	P	C[6]	C[6a]	3:4:4:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:P-3:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6]2)	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6]2){1|C<3>,1|C<4>,1|H<1>}	103.1965	1.251	2	103.1965	1.565	2	101.7891	3.376	28	101.7380	3.612	30	102.0260	3.414	38	102.0802	3.618	42
945	466	643	0:SP3_SP2_SP3	P	C[6]	C[6a]	3:4:4:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:P-3:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H)	C[6a](C[6a]C[6a]H)2(PC[6]2)	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]H)2(PC[6]2){1|C<3>,2|H<1>}	102.1360	2.343	2	102.1360	5.491	2	101.7891	3.376	28	101.7380	3.612	30	102.0260	3.414	38	102.0802	3.618	42
945	466	643	0:SP3_SP2_SP3	P	C[6]	C[6a]	3:4:4:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:P-3:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6]2)	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PC[6]2){2|H<1>,3|C<3>}	102.2420	1.444	2	102.2420	2.085	2	101.7891	3.376	28	101.7380	3.612	30	102.0260	3.414	38	102.0802	3.618	42
945	466	643	0:SP3_SP2_SP3	P	C[6]	C[6a]	3:4:4:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:P-3:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(PC[6]2)	P(C[6a]C[6a]2)(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H){1|C<4>,4|H<1>}	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(PC[6]2){1|C<3>,2|H<1>}	103.3220	2.949	2	103.3220	8.694	2	101.7891	3.376	28	101.7380	3.612	30	102.0260	3.414	38	102.0802	3.618	42
945	466	643	0:SP3_SP2_SP3	P	C[6]	C[6a]	3:4:4:	4:4:3:1:	3:3:3:	C[6a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:P-3:H-1:	N[5a,6a]-3:C[6a]-3:P-3:	P(C[6a]N[5a,6a]C[6a])(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H)	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6]2)	P(C[6a]N[5a,6a]C[6a])(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6a]C[6])(H){1|C<4>,4|H<1>}	C[6a](N[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(PC[6]2){1|H<1>,1|N<2>,2|C<3>}	101.0221	3.535	2	101.0221	12.500	2	101.0221	12.500	2	101.7380	3.612	30	102.0260	3.414	38	102.0802	3.618	42
945	466	727	0:SP3_SP2_SP3	P	C[6]	C[5a]	3:4:4:	4:4:3:1:	3:2:3:	C[5a]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:P-3:H-1:	C[5a]-3:O[5a]-2:P-3:	P(C[5a]C[5a]O[5a])(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[5a]C[6])(H)	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6]2)	P(C[5a]C[5a]O[5a])(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[5a]C[6])(H){1|C<4>,4|H<1>}	C[5a](C[5a]C[5a,6a]C[6a])(O[5a]C[5a,6a])(PC[6]2){4|C<3>}	100.6959	1.683	2	100.6959	2.832	2	100.6959	2.832	2	100.6959	2.832	2	100.6959	2.832	2	100.6959	2.832	2
945	466	762	0:SP3_SP2_SP3	P	C[6]	C[6]	3:4:4:	4:4:3:1:	3:3:3:	C[6]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:P-3:H-1:	N[6]-3:C[6]-3:P-3:	P(C[6]C[6]N[6])(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6]2)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(PC[6]2)	P(C[6]C[6]N[6])(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[6]2)(H){1|C<4>,4|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(PC[6]2){1|C<3>,1|C<4>,1|H<1>}	101.3923	2.809	8	101.3923	7.891	8	101.3923	7.891	8	101.3923	7.891	8	101.3923	7.891	8	101.3923	7.891	8
945	466	770	0:SP3_SP2_SP3	P	C[6]	B	4:4:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6]-4:B-3:	C[6]-4:C[6]-4:P-3:H-1:	P-3:N-3:Br-1:	P(C[6]C[6]2H)2(BBrN)	C[6](C[6]C[6]HH)2(PC[6]B)(H)	B(PC[6]2)(NCC)(Br)	P(C[6]C[6]2H)2(BBrN)	C[6](C[6]C[6]HH)2(PC[6]B)(H){1|C<4>,4|H<1>}	B(PC[6]2)(NCC)(Br)	98.8000	1.834	2	98.8000	3.364	2	98.8000	3.364	2	98.8000	3.364	2	105.6306	110.332	10	105.6306	110.332	10
945	466	770	0:SP3_SP2_SP3	P	C[6]	B	4:4:3:	4:4:3:1:	3:3:3:	C[6]-4:C[6]-4:B-3:	C[6]-4:C[6]-4:P-3:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6]C[6]2H)2(BC[6a]2)	C[6](C[6]C[6]HH)2(PC[6]B)(H)	B(C[6a]C[6a]2)2(PC[6]2)	P(C[6]C[6]2H)2(BC[6a]2)	C[6](C[6]C[6]HH)2(PC[6]B)(H){1|C<4>,4|H<1>}	B(C[6a]C[6a]2)2(PC[6]2)	123.6570	3.898	2	123.6570	15.191	2	123.6570	15.191	2	107.3383	124.711	8	105.6306	110.332	10	105.6306	110.332	10
945	466	770	0:SP3_SP2_SP3	P	C[6]	B	4:4:3:	4:4:3:1:	3:3:3:	C[6]-4:C[6]-4:B-3:	C[6]-4:C[6]-4:P-3:H-1:	P-3:P-3:N-3:	P(C[6]C[6]2H)2(BNP)	C[6](C[6]C[6]HH)2(PC[6]B)(H)	B(PC[6]2)2(NCC)	P(C[6]C[6]2H)2(BNP)	C[6](C[6]C[6]HH)2(PC[6]B)(H){1|C<4>,4|H<1>}	B(PC[6]2)2(NCC)	103.6142	6.051	4	103.6142	36.620	4	101.8987	29.531	6	107.3383	124.711	8	105.6306	110.332	10	105.6306	110.332	10
945	466	770	0:SP3_SP2_SP3	P	C[6]	B	4:4:3:	4:4:3:1:	3:3:3:	C[6]-4:C[6]-4:B-3:	C[6]-4:C[6]-4:P-3:H-1:	P-3:P-3:N-3:	P(C[6]C[6]2H)2(BNP)	C[6](C[6]C[6]HH)2(PC[6]B)(H)	B(PC[6a]2)(PC[6]2)(NCC)	P(C[6]C[6]2H)2(BNP)	C[6](C[6]C[6]HH)2(PC[6]B)(H){1|C<4>,4|H<1>}	B(PC[6a]2)(PC[6]2)(NCC)	98.4678	1.575	2	98.4678	2.482	2	101.8987	29.531	6	107.3383	124.711	8	105.6306	110.332	10	105.6306	110.332	10
945	466	778	0:SP3_SP3_SPD5	P	C[6]	C[3x3,4,3x5,14x6]	5:4:4:	3:4:4:1:	6:6:6:6:3:	C[3x3,4,3x5,14x6]-5:C[6]-4:C[6]-4:	P-3:C[6]-4:C[6]-4:H-1:	B[5x3,4x5,17x6]-6:B[5x3,4x5,17x6]-6:B[4x3,4,5x5,21x6]-6:B[4x3,4,5x5,21x6]-6:P-3:	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]2H)2	C[6](PC[3x3,4,3x5,14x6]C[6])(C[6]C[6]HH)2(H)	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(PC[6]2)	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]2H)2	C[6](PC[3x3,4,3x5,14x6]C[6])(C[6]C[6]HH)2(H){1|C<4>,4|H<1>}	C[3x3,4,3x5,14x6](B[5x3,4x5,17x6]B[4x3,4,5x5,21x6]B[5x3,4x5,17x6]B[5x3,4x5,19x6]B[5x3,5x5,14x6]H)2(B[4x3,4,5x5,21x6]C[3x3,4,3x5,14x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6]H)2(PC[6]2){1|B<6>,1|P<3>,5|H<1>}	102.2375	2.166	4	102.2375	4.690	4	102.2375	4.690	4	102.2375	4.690	4	102.2375	4.690	4	102.2375	4.690	4
945	466	818	0:SP3_SP2_SP3	P	C[6]	C[5]	3:4:4:	4:4:3:1:	3:3:3:	C[5]-3:C[6]-4:C[6]-4:	C[6]-4:C[6]-4:P-3:H-1:	C[5,6a]-3:C[5]-3:P-3:	P(C[5]C[5,6a]C[5])(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[5]C[6])(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(PC[6]2)	P(C[5]C[5,6a]C[5])(C[6]C[6]2H)2	C[6](C[6]C[6]HH)2(PC[5]C[6])(H){1|C<4>,4|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(PC[6]2){3|H<1>,4|C<3>}	104.4690	1.121	2	104.4690	1.258	2	104.4690	1.258	2	104.4690	1.258	2	101.4634	11.100	6	101.4634	11.100	6
945	466	818	0:SP3_SP2_SP3	P	C[6]	C[5]	4:4:3:	4:4:3:1:	3:3:3:	C[6]-4:C[6]-4:C[5]-3:	C[6]-4:C[6]-4:P-3:H-1:	N[5]-3:N[5]-3:P-3:	P(C[6]C[6]2H)2(C[5]N[5]2)	C[6](C[6]C[6]HH)2(PC[5]C[6])(H)	C[5](N[5]C[5]C)2(PC[6]2)	P(C[6]C[6]2H)2(C[5]N[5]2)	C[6](C[6]C[6]HH)2(PC[5]C[6])(H){1|C<4>,4|H<1>}	C[5](N[5]C[5]C)2(PC[6]2){4|H<1>}	99.9606	3.008	4	99.9606	9.047	4	99.9606	9.047	4	99.9606	9.047	4	101.4634	11.100	6	101.4634	11.100	6
945	466	921	0:SP3_SP3_SP3	P	C[6]	Se	4:4:2:	4:4:3:1:	3:3:	C[6]-4:C[6]-4:Se-2:	C[6]-4:C[6]-4:P-3:H-1:	Ge[6]-3:P-3:	P(C[6]C[6]2H)2(SeGe[6])	C[6](C[6]C[6]HH)2(PC[6]Se)(H)	Se(Ge[6]N[6]2)(PC[6]2)	P(C[6]C[6]2H)2(SeGe[6])	C[6](C[6]C[6]HH)2(PC[6]Se)(H){1|C<4>,4|H<1>}	Se(Ge[6]N[6]2)(PC[6]2)	101.2000	1.242	2	101.2000	1.542	2	101.2000	1.542	2	101.2000	1.542	2	101.2000	1.542	2	101.2000	1.542	2
945	466	930	0:SP3_SP2_SP3	P	C[3x6]	C	4:4:3:	4:4:4:3:	3:4:1:	C[3x6]-4:Ga-4:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-3:	P-3:C-4:H-1:	P(C[3x6]C[6,6]3)(GaCl3)(CCH)	C[3x6](C[6,6]C[3x6]HH)3(PGaC)	C(PC[3x6]Ga)(CC3)(H)	P(C[3x6]C[6,6]3)(GaCl3)(CCH)	C[3x6](C[6,6]C[3x6]HH)3(PGaC){3|C<4>,3|H<1>}	C(PC[3x6]Ga)(CC3)(H)	112.5650	0.000	1	112.5650	0.000	1	112.5650	0.000	1	112.5650	0.000	1	112.5650	0.000	1	103.0872	16.314	25
945	466	930	0:SP3_SP2_SP3	P	C[6]	C	4:3:1:	4:4:3:1:	3:4:2:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P-3:C-4:N-2:	P(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]HH)2(PCH)(H)	C(PC[6]H)(CH3)(NZr)	P(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]HH)2(PCH)(H){1|C<4>,4|H<1>}	C(PC[6]H)(CH3)(NZr)	103.1790	0.000	1	103.1790	0.000	1	103.1790	0.000	1	103.1790	0.000	1	102.6923	12.955	24	103.0872	16.314	25
945	466	930	0:SP3_SP2_SP3	P	C[6]	C	4:4:3:	4:4:3:1:	3:2:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:P-3:H-1:	P-3:N-2:N-2:	P(C[6]C[6]2H)2(CNN)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C(PC[6]2)(NC[6a])2	P(C[6]C[6]2H)2(CNN)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C(PC[6]2)(NC[6a])2	99.4930	2.826	2	99.4930	7.984	2	99.4930	7.984	2	99.4930	7.984	2	102.6923	12.955	24	103.0872	16.314	25
945	466	930	0:SP3_SP2_SP3	P	C[6]	C	4:4:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:P-3:H-1:	C-3:P-3:H-1:	P(C[6]C[6]2H)2(CCH)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C(CC[6a]S)(PC[6]2)(H)	P(C[6]C[6]2H)2(CCH)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C(CC[6a]S)(PC[6]2)(H)	100.6025	2.080	2	100.6025	4.325	2	100.6025	4.325	2	100.6025	4.325	2	102.6923	12.955	24	103.0872	16.314	25
945	466	930	0:SP3_SP2_SP3	P	C[6]	C	4:4:3:	4:4:3:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:P-3:H-1:	N-3:P-3:N-2:	P(C[6]C[6]2H)2(CNN)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C(NC[6a]H)(PC[6]2)(NC[6a])	P(C[6]C[6]2H)2(CNN)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C(NC[6a]H)(PC[6]2)(NC[6a])	98.2126	2.644	2	98.2126	6.989	2	98.7512	4.554	4	98.9528	2.868	6	102.6923	12.955	24	103.0872	16.314	25
945	466	930	0:SP3_SP2_SP3	P	C[6]	C	4:4:3:	4:4:3:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:P-3:H-1:	N-3:P-3:N-2:	P(C[6]C[6]2H)2(CNN)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C(NC[6a]In)(PC[6]2)(NC[6a])	P(C[6]C[6]2H)2(CNN)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C(NC[6a]In)(PC[6]2)(NC[6a])	99.2899	2.348	2	99.2899	5.512	2	98.7512	4.554	4	98.9528	2.868	6	102.6923	12.955	24	103.0872	16.314	25
945	466	930	0:SP3_SP2_SP3	P	C[6]	C	4:4:3:	4:4:3:1:	3:3:2:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:P-3:H-1:	P-3:N-3:N-2:	P(C[6]C[6]2H)2(CNN)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C(PC[6]2)(NCH)(NC)	P(C[6]C[6]2H)2(CNN)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C(PC[6]2)(NCH)(NC)	99.3560	0.435	2	99.3560	0.189	2	99.3560	0.189	2	98.9528	2.868	6	102.6923	12.955	24	103.0872	16.314	25
945	466	930	0:SP3_SP2_SP3	P	C[6]	C	4:4:3:	4:4:3:1:	3:3:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:P-3:H-1:	C[6a]-3:P-3:C-3:	P(C[6]C[6]2H)2(CC[6a]C)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C(C[6a]C[6a]2)(PC[6]2)(CMnC)	P(C[6]C[6]2H)2(CC[6a]C)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(PC[6]2)(CMnC)	101.9920	0.622	2	101.9920	0.387	2	101.9920	0.387	2	101.9920	0.387	2	102.6923	12.955	24	103.0872	16.314	25
945	466	930	0:SP3_SP2_SP3	P	C[6]	C	4:4:3:	4:4:3:1:	3:3:4:	C[6]-4:P-4:C-3:	C[6]-4:C[6]-4:P-3:H-1:	C-3:P-3:C-4:	P(C[6]C[6]2H)(PC[6]CO)(CCC)	C[6](C[6]C[6]HH)2(PCP)(H)	C(CC[6a]H)(PC[6]P)(CC3)	P(C[6]C[6]2H)(PC[6]CO)(CCC)	C[6](C[6]C[6]HH)2(PCP)(H){1|C<4>,4|H<1>}	C(CC[6a]H)(PC[6]P)(CC3)	105.1160	1.410	3	105.1160	1.987	3	105.1160	1.987	3	105.1160	1.987	3	102.6923	12.955	24	103.0872	16.314	25
945	466	930	0:SP3_SP2_SP3	P	C[6]	C	4:4:3:	4:4:3:1:	3:4:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:P-3:H-1:	C[6a]-3:P-4:P-3:	P(C[6]C[6]2H)2(CC[6a]P)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C(C[6a]C[6a]2)(PC[6]3)(PC[6]2)	P(C[6]C[6]2H)2(CC[6a]P)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(PC[6]3)(PC[6]2)	106.6470	2.005	2	106.6470	4.021	2	106.0246	6.597	8	106.0246	6.597	8	102.6923	12.955	24	103.0872	16.314	25
945	466	930	0:SP3_SP2_SP3	P	C[6]	C	4:4:3:	4:4:3:1:	3:4:3:	C[6]-4:C[6]-4:C-3:	C[6]-4:C[6]-4:P-3:H-1:	C[6a]-3:P-4:P-3:	P(C[6]C[6]2H)2(CC[6a]P)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C(C[6a]C[6a]2)(PC[6a]3)(PC[6]2)	P(C[6]C[6]2H)2(CC[6a]P)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C(C[6a]C[6a]2)(PC[6a]3)(PC[6]2)	105.8172	2.868	6	105.8172	8.225	6	106.0246	6.597	8	106.0246	6.597	8	102.6923	12.955	24	103.0872	16.314	25
945	466	945	0:SP3_SP3_SP3	P	C[6]	P	4:3:4:	4:4:3:1:	4:3:4:	C[6]-4:P-3:P-4:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:P-3:P-4:	P(C[6]C[6]2H)(PC[6]P)(PC3)	C[6](C[6]C[6]HH)2(PPP)(H)	P(C[6]C[6]2H)(PC[6]P)(PC3)	P(C[6]C[6]2H)(PC[6]P)(PC3)	C[6](C[6]C[6]HH)2(PPP)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)(PC[6]P)(PC3)	107.4760	0.576	2	107.4760	0.331	2	107.4760	0.331	2	107.4760	0.331	2	103.0421	16.670	16	103.0421	16.670	16
945	466	945	0:SP3_SP3_SP3	P	C[6]	P	4:4:3:	4:4:3:1:	3:3:3:	C[6]-4:C[6]-4:P-3:	C[6]-4:C[6]-4:P-3:H-1:	C[6a]-3:P-3:P-3:	P(C[6]C[6]2H)2(PC[6a]P)	C[6](C[6]C[6]HH)2(PC[6]P)(H)	P(C[6a]C[6a]N[6a])(PC[6]2)2	P(C[6]C[6]2H)2(PC[6a]P)	C[6](C[6]C[6]HH)2(PC[6]P)(H){1|C<4>,4|H<1>}	P(C[6a]C[6a]N[6a])(PC[6]2)2	99.9013	4.515	4	99.9013	20.384	4	99.9013	20.384	4	99.9013	20.384	4	103.0421	16.670	16	103.0421	16.670	16
945	466	945	0:SP3_SP3_SP3	P	C[6]	P	4:4:3:	4:4:3:1:	3:4:3:	C[6]-4:C[6]-4:P-3:	C[6]-4:C[6]-4:P-3:H-1:	C[6a]-3:P-4:P-3:	P(C[6]C[6]2H)2(PC[6a]P)	C[6](C[6]C[6]HH)2(PC[6]P)(H)	P(C[6a]C[6a]N[6a])(PC[6]2C)(PC[6]2)	P(C[6]C[6]2H)2(PC[6a]P)	C[6](C[6]C[6]HH)2(PC[6]P)(H){1|C<4>,4|H<1>}	P(C[6a]C[6a]N[6a])(PC[6]2C)(PC[6]2)	101.8945	3.409	2	101.8945	11.621	2	101.8945	11.621	2	103.1187	8.605	6	103.0421	16.670	16	103.0421	16.670	16
945	466	945	0:SP3_SP3_SP3	P	C[6]	P	4:4:3:	4:4:3:1:	3:4:3:	C[6]-4:C[6]-4:P-3:	C[6]-4:C[6]-4:P-3:H-1:	N[5a]-3:P-4:P-3:	P(C[6]C[6]2H)2(PN[5a]P)	C[6](C[6]C[6]HH)2(PC[6]P)(H)	P(N[5a]C[5a]N[5a])(PC[6]2Fe)(PC[6]2)	P(C[6]C[6]2H)2(PN[5a]P)	C[6](C[6]C[6]HH)2(PC[6]P)(H){1|C<4>,4|H<1>}	P(N[5a]C[5a]N[5a])(PC[6]2Fe)(PC[6]2)	103.7308	2.995	4	103.7308	8.970	4	103.7308	8.970	4	103.1187	8.605	6	103.0421	16.670	16	103.0421	16.670	16
945	466	945	0:SP3_SP3_SP3	P	C[6]	P	4:4:3:	4:4:3:1:	4:4:3:	C[6]-4:C[6]-4:P-3:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:C[6]-4:P-3:	P(C[6]C[6]2H)2(PC[6]2)	C[6](C[6]C[6]HH)2(PC[6]P)(H)	P(C[6]C[6]2H)2(PC[6]2)	P(C[6]C[6]2H)2(PC[6]2)	C[6](C[6]C[6]HH)2(PC[6]P)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)2(PC[6]2)	103.8510	4.623	4	103.8510	21.370	4	103.8510	21.370	4	103.8510	21.370	4	103.0421	16.670	16	103.0421	16.670	16
945	466	951	0:SP3_SP-NON_SP3	P	C[3x6]	H	4:4:1:	4:4:4:3:	3:	C[3x6]-4:C-4:H-1:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-3:	P-3:	P(C[3x6]C[6,6]3)(CC[5]CH)(H)	C[3x6](C[6,6]C[3x6]HH)3(PCH)	H(PC[3x6]C)	P(C[3x6]C[6,6]3)(CC[5]CH)(H)	C[3x6](C[6,6]C[3x6]HH)3(PCH){3|C<4>,3|H<1>}	H(PC[3x6]C)	96.1024	0.000	1	96.1024	0.000	1	96.1024	0.000	1	96.1024	0.000	1	96.1024	0.000	1	103.9585	51.832	3
945	466	951	0:SP3_SP-NON_SP3	P	C[6]	H	4:2:1:	4:4:3:1:	3:	C[6]-4:C-2:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P-3:	P(C[6]C[6]2H)(CW)(H)	C[6](C[6]C[6]HH)2(PCH)(H)	H(PC[6]C)	P(C[6]C[6]2H)(CW)(H)	C[6](C[6]C[6]HH)2(PCH)(H){1|C<4>,4|H<1>}	H(PC[6]C)	110.2410	0.000	1	110.2410	0.000	1	110.2410	0.000	1	110.2410	0.000	1	107.8865	11.087	2	103.9585	51.832	3
945	466	951	0:SP3_SP-NON_SP3	P	C[6]	H	4:3:1:	4:4:3:1:	3:	C[6]-4:C-3:H-1:	C[6]-4:C[6]-4:P-3:H-1:	P-3:	P(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]HH)2(PCH)(H)	H(PC[6]C)	P(C[6]C[6]2H)(CCN)(H)	C[6](C[6]C[6]HH)2(PCH)(H){1|C<4>,4|H<1>}	H(PC[6]C)	105.5320	0.000	1	105.5320	0.000	1	105.5320	0.000	1	105.5320	0.000	1	107.8865	11.087	2	103.9585	51.832	3
945	466	956	0:SP3_SP2_SP3	P	C[6]	N	4:4:3:	4:4:3:1:	3:3:1:	C[6]-4:C[6]-4:N-3:	C[6]-4:C[6]-4:P-3:H-1:	C[6a]-3:P-3:H-1:	P(C[6]C[6]2H)2(NC[6a]H)	C[6](C[6]C[6]HH)2(PC[6]N)(H)	N(C[6a]C[6a]2)(PC[6]2)(H)	P(C[6]C[6]2H)2(NC[6a]H)	C[6](C[6]C[6]HH)2(PC[6]N)(H){1|C<4>,4|H<1>}	N(C[6a]C[6a]2)(PC[6]2)(H)	101.0990	1.471	4	101.0990	2.165	4	101.0990	2.165	4	101.0990	2.165	4	101.8302	2.668	6	101.8302	2.668	6
945	466	956	0:SP3_SP2_SP3	P	C[6]	N	4:4:3:	4:4:3:1:	3:3:3:	C[6]-4:C[6]-4:N-3:	C[6]-4:C[6]-4:P-3:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6]C[6]2H)2(NC[6a]2)	C[6](C[6]C[6]HH)2(PC[6]N)(H)	N(C[6a]C[6a]N[6a])2(PC[6]2)	P(C[6]C[6]2H)2(NC[6a]2)	C[6](C[6]C[6]HH)2(PC[6]N)(H){1|C<4>,4|H<1>}	N(C[6a]C[6a]N[6a])2(PC[6]2)	103.2925	0.654	2	103.2925	0.428	2	103.2925	0.428	2	103.2925	0.428	2	101.8302	2.668	6	101.8302	2.668	6
945	466	956	0:SP3_SP3_SP3	P	C[6]	N	4:4:3:	4:4:3:1:	3:3:2:	C[6]-4:C[6]-4:N-3:	C[6]-4:C[6]-4:P-3:H-1:	P-3:P-3:C-2:	P(C[6]C[6]2H)2(NCP)	C[6](C[6]C[6]HH)2(PC[6]N)(H)	N(PC[6]2)2(CC)	P(C[6]C[6]2H)2(NCP)	C[6](C[6]C[6]HH)2(PC[6]N)(H){1|C<4>,4|H<1>}	N(PC[6]2)2(CC)	101.8209	1.780	4	101.8209	3.168	4	101.8209	3.168	4	101.8209	3.168	4	101.8209	3.168	4	101.8209	3.168	4
945	466	983	0:SP3_SP1_SP3	P	C[6]	C	4:2:2:	4:4:3:1:	3:2:	C[6]-4:C-2:C-2:	C[6]-4:C[6]-4:P-3:H-1:	P-3:C-2:	P(C[6]C[6]2H)(CC)(CW)	C[6](C[6]C[6]HH)2(PCC)(H)	C(PC[6]C)(CH)	P(C[6]C[6]2H)(CC)(CW)	C[6](C[6]C[6]HH)2(PCC)(H){1|C<4>,4|H<1>}	C(PC[6]C)(CH)	101.3030	0.000	1	101.3030	0.000	1	101.3030	0.000	1	101.3030	0.000	1	101.7490	0.160	3	101.7490	0.160	3
945	466	983	0:SP3_SP1_SP3	P	C[6]	C	4:4:2:	4:4:3:1:	3:2:	C[6]-4:C[6]-4:C-2:	C[6]-4:C[6]-4:P-3:H-1:	P-3:C-2:	P(C[6]C[6]2H)2(CC)	C[6](C[6]C[6]HH)2(PC[6]C)(H)	C(PC[6]2)(CN)	P(C[6]C[6]2H)2(CC)	C[6](C[6]C[6]HH)2(PC[6]C)(H){1|C<4>,4|H<1>}	C(PC[6]2)(CN)	101.9720	0.146	2	101.9720	0.021	2	101.9720	0.021	2	101.9720	0.021	2	101.7490	0.160	3	101.7490	0.160	3
945	466	984	0:SP3_SP-NON_SP3	P	C[3x6]	Ga	4:4:3:	4:4:4:3:	3:1:1:1:	C[3x6]-4:Ga-4:C-3:	C[6,6]-4:C[6,6]-4:C[6,6]-4:P-3:	P-3:Cl-1:Cl-1:Cl-1:	P(C[3x6]C[6,6]3)(GaCl3)(CCH)	C[3x6](C[6,6]C[3x6]HH)3(PGaC)	Ga(PC[3x6]C)(Cl)3	P(C[3x6]C[6,6]3)(GaCl3)(CCH)	C[3x6](C[6,6]C[3x6]HH)3(PGaC){3|C<4>,3|H<1>}	Ga(PC[3x6]C)(Cl)3	117.2780	0.000	1	117.2780	0.000	1	117.2780	0.000	1	117.2780	0.000	1	117.2780	0.000	1	117.2780	0.000	1
945	466	992	0:SP3_SP3_SP3	P	C[6]	P	4:3:4:	4:4:3:1:	3:4:4:4:	C[6]-4:P-3:P-4:	C[6]-4:C[6]-4:P-3:H-1:	P-3:C-4:C-4:C-4:	P(C[6]C[6]2H)(PC[6]P)(PC3)	C[6](C[6]C[6]HH)2(PPP)(H)	P(PC[6]P)(CH3)3	P(C[6]C[6]2H)(PC[6]P)(PC3)	C[6](C[6]C[6]HH)2(PPP)(H){1|C<4>,4|H<1>}	P(PC[6]P)(CH3)3	107.4745	0.197	2	107.4745	0.039	2	107.4745	0.039	2	107.4745	0.039	2	104.8141	20.531	7	104.8141	20.531	7
945	466	992	0:SP3_SP3_SP3	P	C[6]	P	4:4:3:	4:4:3:1:	4:3:3:1:	C[6]-4:P-4:C-3:	C[6]-4:C[6]-4:P-3:H-1:	C[6]-4:P-3:C-3:O-1:	P(C[6]C[6]2H)(PC[6]CO)(CCC)	C[6](C[6]C[6]HH)2(PCP)(H)	P(C[6]C[6]2H)(PC[6]C)(CCC)(O)	P(C[6]C[6]2H)(PC[6]CO)(CCC)	C[6](C[6]C[6]HH)2(PCP)(H){1|C<4>,4|H<1>}	P(C[6]C[6]2H)(PC[6]C)(CCC)(O)	101.1749	4.898	3	101.1749	23.995	3	101.1749	23.995	3	101.1749	23.995	3	104.8141	20.531	7	104.8141	20.531	7
945	466	992	0:SP3_SP3_SP3	P	C[6]	P	4:4:4:	4:4:3:1:	3:4:4:4:	C[6]-4:P-4:P-4:	C[6]-4:C[6]-4:P-3:H-1:	P-3:C-4:C-4:C-4:	P(C[6]C[6]2H)(PC3)2	C[6](C[6]C[6]HH)2(PPP)(H)	P(PC[6]P)(CH3)3	P(C[6]C[6]2H)(PC3)2	C[6](C[6]C[6]HH)2(PPP)(H){1|C<4>,4|H<1>}	P(PC[6]P)(CH3)3	107.6125	2.368	2	107.6125	5.608	2	107.6125	5.608	2	107.6125	5.608	2	104.8141	20.531	7	104.8141	20.531	7
945	474	474	0:SP3_SP3_SP3	P	C[5]	C[5]	3:4:4:	4:3:3:1:	4:3:3:1:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:P-3:C[5]-3:H-1:	C[5]-4:P-3:C[5]-3:H-1:	P(C[6a]C[6a]2)(C[5]C[5]2H)2	C[5](C[5]C[5]HH)(PC[6a]C[5])(C[5]C[5]N)(H)	C[5](C[5]C[5]HH)(PC[6a]C[5])(C[5]C[5]N)(H)	P(C[6a]C[6a]2)(C[5]C[5]2H)2	C[5](C[5]C[5]HH)(PC[6a]C[5])(C[5]C[5]N)(H){4|H<1>}	C[5](C[5]C[5]HH)(PC[6a]C[5])(C[5]C[5]N)(H){4|H<1>}	101.4190	0.000	1	101.4190	0.000	1	101.4190	0.000	1	101.4190	0.000	1	101.3238	2.608	4	101.3238	2.608	4
945	474	474	0:SP3_SP3_SP3	P	C[5]	C[5]	4:4:4:	3:3:3:1:	3:3:3:1:	C[5]-4:C[5]-4:C[5]-4:	C[5,6a]-3:C[5]-3:P-3:H-1:	C[5,6a]-3:C[5]-3:P-3:H-1:	P(C[5]C[5,6a]C[5]H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[5]2)(H)	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[5]2)(H)	P(C[5]C[5,6a]C[5]H)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[5]2)(H){2|C<3>,2|H<1>}	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]H)(PC[5]2)(H){2|C<3>,2|H<1>}	101.2921	1.976	3	101.2921	3.906	3	101.2921	3.906	3	101.2921	3.906	3	101.3238	2.608	4	101.3238	2.608	4
945	474	490	0:SP3_SP3_SP3	P	C[5]	C	4:3:4:	3:4:3:1:	3:4:1:1:	C[5]-4:C[6a]-3:C-4:	C[5,6]-3:C[5]-4:P-3:H-1:	P-3:C-4:H-1:H-1:	P(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCHH)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(PC[6a]C)(H)	C(PC[6a]C[5])(CCHH)(H)2	P(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCHH)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(PC[6a]C)(H){2|C<4>,3|H<1>}	C(PC[6a]C[5])(CCHH)(H)2	105.9000	0.000	1	105.9000	0.000	1	105.9000	0.000	1	105.9000	0.000	1	105.9000	0.000	1	105.9000	0.000	1
945	474	643	0:SP3_SP2_SP3	P	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:P-3:H-1:	P-3:C[6a]-3:C[6a]-3:	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2)(H)	C[6a](PC[5,6]C[6a])(C[6a]C[6a]C)2	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	C[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]BH)(PC[6a]2)(H){1|C<4>,5|H<1>}	C[6a](PC[5,6]C[6a])(C[6a]C[6a]C)2{1|C<3>,2|H<1>}	111.4155	7.598	4	111.4155	57.737	4	103.7524	39.805	14	103.7524	39.805	14	103.7524	39.805	14	103.4127	25.408	37
945	474	643	0:SP3_SP2_SP3	P	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:P-3:H-1:	P-3:C[6a]-3:C[6a]-3:	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H)	C[6a](PC[5,6]C[6a])(C[6a]C[6a]H)2	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	C[5,6](C[5,5,6]C[5,6,6a]N[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H){1|H<1>,3|C<3>}	C[6a](PC[5,6]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	100.2024	1.340	4	100.2024	1.795	4	103.7524	39.805	14	103.7524	39.805	14	103.7524	39.805	14	103.4127	25.408	37
945	474	643	0:SP3_SP2_SP3	P	C[5,6]	C[6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5,6]-4:C[6a]-3:C[6a]-3:	C[5,5,6]-4:C[5,6]-4:P-3:H-1:	P-3:C[6a]-3:C[6a]-3:	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H)	C[6a](PC[5,6]C[6a])(C[6a]C[6a]H)2	P(C[5,6]C[5,5,6]C[5,6]H)(C[6a]C[6a]2)2	C[5,6](C[5,5,6]C[5,6,6a]O[5,5]H)(C[5,6]C[5,5,6]HH)(PC[6a]2)(H){1|H<1>,2|C<3>}	C[6a](PC[5,6]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	101.0104	1.300	6	101.0104	1.691	6	103.7524	39.805	14	103.7524	39.805	14	103.7524	39.805	14	103.4127	25.408	37
945	474	643	0:SP3_SP2_SP3	P	C[5]	C[6a]	3:4:4:	4:3:3:1:	3:3:3:	C[6a]-3:C[5]-4:C[5]-4:	C[5]-4:P-3:C[5]-3:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(C[5]C[5]2H)2	C[5](C[5]C[5]HH)(PC[6a]C[5])(C[5]C[5]N)(H)	C[6a](C[6a]C[6a]H)2(PC[5]2)	P(C[6a]C[6a]2)(C[5]C[5]2H)2	C[5](C[5]C[5]HH)(PC[6a]C[5])(C[5]C[5]N)(H){4|H<1>}	C[6a](C[6a]C[6a]H)2(PC[5]2){1|C<3>,2|H<1>}	101.4980	0.117	2	101.4980	0.014	2	101.4980	0.014	2	101.4980	0.014	2	103.2059	17.937	23	103.4127	25.408	37
945	474	643	0:SP3_SP2_SP3	P	C[5]	C[6a]	4:3:3:	3:3:3:3:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5,6a]-3:P-3:P-3:	C[6a]-3:C[6a]-3:P-3:	P(C[5]C[5,6a]2P)(C[6a]C[6a]2)2	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a]2)2	C[6a](C[6a]C[6a]H)2(PC[6a]C[5])	P(C[5]C[5,6a]2P)(C[6a]C[6a]2)2	C[5](C[5,6a]C[5,6a]C[6a])2(PC[6a]2)2{2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(PC[6a]C[5]){1|C<3>,2|H<1>}	102.9453	4.504	4	102.9453	20.285	4	102.9453	20.285	4	102.9453	20.285	4	103.2059	17.937	23	103.4127	25.408	37
945	474	643	0:SP3_SP2_SP3	P	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6a]-3:C[5]-4:P-3:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HH)(PC[6a]2)(H)	C[6a](C[6a]C[6a]C)2(PC[6a]C[5])	P(C[5]C[5,6a]C[5]H)(C[6a]C[6a]2)2	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[3,5]HH)(PC[6a]2)(H){1|H<1>,2|B<5>,2|C<3>}	C[6a](C[6a]C[6a]C)2(PC[6a]C[5]){1|C<3>,2|H<1>}	105.0909	8.159	2	105.0909	66.564	2	105.0909	66.564	2	103.8586	33.742	4	103.2059	17.937	23	103.4127	25.408	37
945	474	643	0:SP3_SP2_SP3	P	C[5]	C[6a]	4:3:3:	3:4:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	N[5]-3:C[5]-4:P-3:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[5]C[5]N[5]H)(C[6a]C[6a]2)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PC[6a]2)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C[5])	P(C[5]C[5]N[5]H)(C[6a]C[6a]2)2	C[5](N[5]C[6a]C[5])(C[5]C[5]CC)(PC[6a]2)(H){2|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(PC[6a]C[5]){1|C<3>,2|H<1>}	102.6263	5.347	2	102.6263	28.587	2	102.6263	28.587	2	103.8586	33.742	4	103.2059	17.937	23	103.4127	25.408	37
945	474	643	0:SP3_SP2_SP3	P	C[5]	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,6]-4:N[5]-3:P-3:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PC[6a]2)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C[5])	P(C[5]C[5,6]N[5]H)(C[6a]C[6a]2)2	C[5](C[5,6]C[5]C[6]2)(N[5]C[6a]C[5])(PC[6a]2)(H){2|C<3>,5|C<4>,5|H<1>}	C[6a](C[6a]C[6a]H)2(PC[6a]C[5]){1|C<3>,2|H<1>}	108.6035	3.826	4	108.6035	14.638	4	108.6035	14.638	4	108.6035	14.638	4	103.2059	17.937	23	103.4127	25.408	37
945	474	643	0:SP3_SP2_SP3	P	C[5]	C[6a]	4:3:3:	4:4:3:1:	3:3:3:	C[5]-4:C[6a]-3:C[6a]-3:	C[5,5]-4:C[5]-4:P-3:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(PC[6a]2)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C[5])	P(C[5]C[5,5]C[5]H)(C[6a]C[6a]2)2	C[5](C[5,5]C[5,5]O[5]H)(C[5]O[5]HH)(PC[6a]2)(H){1|H<1>,2|C<4>}	C[6a](C[6a]C[6a]H)2(PC[6a]C[5]){1|C<3>,2|H<1>}	101.1386	1.682	8	101.1386	2.829	8	101.1386	2.829	8	101.1386	2.829	8	103.2059	17.937	23	103.4127	25.408	37
945	474	643	0:SP3_SP2_SP3	P	C[5]	C[6a]	4:3:4:	3:4:3:1:	3:3:3:	C[5]-4:C[6a]-3:C-4:	C[5,6]-3:C[5]-4:P-3:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCHH)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(PC[6a]C)(H)	C[6a](C[6a]C[6a]C)2(PC[5]C)	P(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCHH)	C[5](C[5,6]N[5,6]N[6])(C[5]C[5]HH)(PC[6a]C)(H){2|C<4>,3|H<1>}	C[6a](C[6a]C[6a]C)2(PC[5]C){1|C<3>,2|H<1>}	100.0010	0.000	1	100.0010	0.000	1	100.0010	0.000	1	100.0010	0.000	1	103.2059	17.937	23	103.4127	25.408	37
945	474	818	0:SP3_SP2_SP3	P	C[5]	C[5]	4:3:3:	3:3:3:1:	3:3:3:	C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[5,6a]-3:P-3:H-1:	N[5]-3:C[5]-3:P-3:	P(C[5]C[5,6a]2H)(C[5]C[5]N[5])(NCC)	C[5](C[5,6a]C[5,6a]C[6a])2(PC[5]N)(H)	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[5]N)	P(C[5]C[5,6a]2H)(C[5]C[5]N[5])(NCC)	C[5](C[5,6a]C[5,6a]C[6a])2(PC[5]N)(H){2|H<1>,4|C<3>}	C[5](N[5]C[6a]C[5])(C[5]N[5]H)(PC[5]N){1|S<1>,3|C<3>}	98.3365	0.000	1	98.3365	0.000	1	98.3365	0.000	1	98.3365	0.000	1	98.3365	0.000	1	98.3365	0.000	1
945	474	944	0:SP3_SP-NON_SP3	P	C[5]	I	4:3:1:	3:3:4:3:	3:	C[5]-4:P-3:I-1:	C[5]-3:C[5]-3:C-4:P-3:	P-3:	P(C[5]C[5]2C)(PC[5]I)(I)	C[5](C[5]C[5]C)2(CH3)(PIP)	I(PC[5]P)	P(C[5]C[5]2C)(PC[5]I)(I)	C[5](C[5]C[5]C)2(CH3)(PIP){2|C<4>}	I(PC[5]P)	104.5365	0.218	2	104.5365	0.048	2	104.5365	0.048	2	104.5365	0.048	2	104.5365	0.048	2	104.5365	0.048	2
945	474	945	0:SP3_SP3_SP3	P	C[5]	P	4:3:1:	3:3:4:3:	4:3:1:	C[5]-4:P-3:I-1:	C[5]-3:C[5]-3:C-4:P-3:	C[5]-4:P-3:I-1:	P(C[5]C[5]2C)(PC[5]I)(I)	C[5](C[5]C[5]C)2(CH3)(PIP)	P(C[5]C[5]2C)(PC[5]I)(I)	P(C[5]C[5]2C)(PC[5]I)(I)	C[5](C[5]C[5]C)2(CH3)(PIP){2|C<4>}	P(C[5]C[5]2C)(PC[5]I)(I)	97.1585	0.137	2	97.1585	0.019	2	97.1585	0.019	2	97.1585	0.019	2	97.1585	0.019	2	97.1585	0.019	2
945	474	951	0:SP3_SP-NON_SP3	P	C[5]	H	4:1:1:	3:3:3:1:	3:	C[5]-4:H-1:H-1:	N[5]-3:N[5]-3:P-3:H-1:	P-3:	P(C[5]N[5]2H)(H)2	C[5](N[5]C[6a]C[5])2(PHH)(H)	H(PC[5]H)	P(C[5]N[5]2H)(H)2	C[5](N[5]C[6a]C[5])2(PHH)(H){4|C<3>,4|H<1>}	H(PC[5]H)	99.0277	2.451	2	99.0277	6.008	2	99.0277	6.008	2	99.0277	6.008	2	99.0277	6.008	2	99.0277	6.008	2
945	474	956	0:SP3_SP2_SP3	P	C[5]	N	4:3:3:	3:3:3:1:	3:4:4:	C[5]-4:C[5]-3:N-3:	C[5,6a]-3:C[5,6a]-3:P-3:H-1:	P-3:C-4:C-4:	P(C[5]C[5,6a]2H)(C[5]C[5]N[5])(NCC)	C[5](C[5,6a]C[5,6a]C[6a])2(PC[5]N)(H)	N(PC[5]2)(CCHH)2	P(C[5]C[5,6a]2H)(C[5]C[5]N[5])(NCC)	C[5](C[5,6a]C[5,6a]C[6a])2(PC[5]N)(H){2|H<1>,4|C<3>}	N(PC[5]2)(CCHH)2	104.7130	0.000	1	104.7130	0.000	1	104.7130	0.000	1	104.7130	0.000	1	104.7130	0.000	1	104.7130	0.000	1
945	478	643	0:SP3_SP2_SP3	P	C[4]	C[6a]	3:3:4:	4:4:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C[4]-4:	C[4]-4:C[4]-4:P-3:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(C[4]C[4]2H)	C[4](C[4]C[4]HP)2(PC[6a]2)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C[4])	P(C[6a]C[6a]2)2(C[4]C[4]2H)	C[4](C[4]C[4]HP)2(PC[6a]2)(H){1|H<1>,1|P<4>}	C[6a](C[6a]C[6a]H)2(PC[6a]C[4]){1|C<3>,2|H<1>}	101.4301	2.489	4	101.4301	6.197	4	101.4301	6.197	4	101.4301	6.197	4	101.4301	6.197	4	101.4301	6.197	4
945	486	643	0:SP3_SP2_SP3	P	C[3,5,5]	C[6a]	4:3:3:	4:4:4:3:	3:3:3:	C[3,5,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5]-4:C[5,5]-4:P-3:	P-3:C[6a]-3:C[6a]-3:	P(C[3,5,5]C[3,5]2C[5,5])(C[6a]C[6a]2)2	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[5,6a]C[3,5]P)(C[5,5]C[5,6a]2H)(PC[6a]2)	C[6a](PC[3,5,5]C[6a])(C[6a]C[6a]H)2	P(C[3,5,5]C[3,5]2C[5,5])(C[6a]C[6a]2)2	C[3,5,5](C[3,5]C[5,6a]C[3,5]H)(C[3,5]C[5,6a]C[3,5]P)(C[5,5]C[5,6a]2H)(PC[6a]2){4|C<3>}	C[6a](PC[3,5,5]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	103.0747	4.465	2	103.0747	19.937	2	103.0747	19.937	2	103.0747	19.937	2	103.0747	19.937	2	101.8349	13.968	5
945	486	643	0:SP3_SP2_SP3	P	C[3,5]	C[6a]	4:3:3:	4:4:3:3:	3:3:3:	C[3,5]-4:C[6a]-3:C[6a]-3:	C[3,5]-4:C[3,5,5]-4:C[5,6a]-3:P-3:	P-3:C[6a]-3:C[6a]-3:	P(C[3,5]C[3,5,5]C[5,6a]C[3,5])(C[6a]C[6a]2)2	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]P)(C[5,6a]C[5,6a]C[6a])(PC[6a]2)	C[6a](PC[3,5]C[6a])(C[6a]C[6a]H)2	P(C[3,5]C[3,5,5]C[5,6a]C[3,5])(C[6a]C[6a]2)2	C[3,5](C[3,5]C[3,5,5]C[5,6a]H)(C[3,5,5]C[3,5]C[5,5]P)(C[5,6a]C[5,6a]C[6a])(PC[6a]2){2|H<1>,4|C<3>}	C[6a](PC[3,5]C[6a])(C[6a]C[6a]H)2{1|C<3>,2|H<1>}	103.2705	0.329	2	103.2705	0.108	2	103.2705	0.108	2	103.2705	0.108	2	103.2705	0.108	2	101.8349	13.968	5
945	486	643	0:SP3_SP2_SP3	P	C[3]	C[6a]	3:4:2:	4:4:3:1:	3:3:3:	C[6a]-3:C[3]-4:N-2:	C[3]-4:C[3]-4:P-3:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(C[3]C[3]2H)(NP)	C[3](C[3]C[3]HH)2(PC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(PC[3]N)	P(C[6a]C[6a]2)(C[3]C[3]2H)(NP)	C[3](C[3]C[3]HH)2(PC[6a]N)(H)	C[6a](C[6a]C[6a]H)2(PC[3]N){1|C<3>,2|H<1>}	96.4843	0.000	1	96.4843	0.000	1	96.4843	0.000	1	96.4843	0.000	1	96.4843	0.000	1	101.8349	13.968	5
945	486	941	0:SP3_SP2_SP3	P	C[3]	N	3:4:2:	4:4:3:1:	4:3:	C[6a]-3:C[3]-4:N-2:	C[3]-4:C[3]-4:P-3:H-1:	P-4:P-3:	P(C[6a]C[6a]2)(C[3]C[3]2H)(NP)	C[3](C[3]C[3]HH)2(PC[6a]N)(H)	N(PC[6a]2C[3])(PC[6a]C[3])	P(C[6a]C[6a]2)(C[3]C[3]2H)(NP)	C[3](C[3]C[3]HH)2(PC[6a]N)(H)	N(PC[6a]2C[3])(PC[6a]C[3])	102.6740	0.000	1	102.6740	0.000	1	102.6740	0.000	1	102.6740	0.000	1	102.6740	0.000	1	102.6740	0.000	1
945	490	490	0:SP3_SP3_SP3	P	C	C	2:4:4:	4:4:3:1:	4:4:3:1:	N-2:C-4:C-4:	C-4:C-4:P-3:H-1:	C-4:C-4:P-3:H-1:	P(NC[6])(CCCH)2	C(CH3)2(PCN)(H)	C(CH3)2(PCN)(H)	P(NC[6])(CCCH)2	C(CH3)2(PCN)(H)	C(CH3)2(PCN)(H)	101.8280	0.000	1	101.8280	0.000	1	101.8280	0.000	1	102.1407	0.354	3	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	2:4:4:	4:4:3:1:	4:4:3:1:	O-2:C-4:C-4:	C-4:C-4:P-3:H-1:	C-4:C-4:P-3:H-1:	P(OC[5x3,5x5,20x6])(CCCH)2	C(CH3)2(PCO)(H)	C(CH3)2(PCO)(H)	P(OC[5x3,5x5,20x6])(CCCH)2	C(CH3)2(PCO)(H)	C(CH3)2(PCO)(H)	102.2970	0.750	2	102.2970	0.562	2	102.2970	0.562	2	102.1407	0.354	3	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	2:4:4:	4:4:4:3:	4:4:4:3:	N-2:C-4:C-4:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(NC[5])(CC3)2	C(CH3)3(PCN)	C(CH3)3(PCN)	P(NC[5])(CC3)2	C(CH3)3(PCN)	C(CH3)3(PCN)	106.6850	0.000	1	106.6850	0.000	1	106.6850	0.000	1	111.3702	5.408	6	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	2:4:4:	4:4:4:3:	4:4:4:3:	O-2:C-4:C-4:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(OC[6a])(CC3)2	C(CH3)3(PCO)	C(CH3)3(PCO)	P(OC[6a])(CC3)2	C(CH3)3(PCO)	C(CH3)3(PCO)	112.3072	0.418	5	112.3072	0.175	5	112.3072	0.175	5	111.3702	5.408	6	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:1:1:1:	3:1:1:1:	C[5]-3:C-4:C-4:	P-3:H-1:H-1:H-1:	P-3:H-1:H-1:H-1:	P(C[5]N[5]2)(CH3)2	C(PC[5]C)(H)3	C(PC[5]C)(H)3	P(C[5]N[5]2)(CH3)2	C(PC[5]C)(H)3	C(PC[5]C)(H)3	98.1771	0.000	1	98.1771	0.000	1	98.1771	0.000	1	99.9257	8.905	11	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:1:1:1:	3:1:1:1:	C[6a]-3:C-4:C-4:	P-3:F-1:F-1:F-1:	P-3:F-1:F-1:F-1:	P(C[6a]C[6a,6a]C[6a])(CF3)2	C(PC[6a]C)(F)3	C(PC[6a]C)(F)3	P(C[6a]C[6a,6a]C[6a])(CF3)2	C(PC[6a]C)(F)3	C(PC[6a]C)(F)3	94.7469	0.000	1	94.7469	0.000	1	94.7469	0.000	1	99.9257	8.905	11	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:1:1:1:	3:1:1:1:	C[6a]-3:C-4:C-4:	P-3:H-1:H-1:H-1:	P-3:H-1:H-1:H-1:	P(C[6a]C[6a,6a]C[6a])(CH3)2	C(PC[6a]C)(H)3	C(PC[6a]C)(H)3	P(C[6a]C[6a,6a]C[6a])(CH3)2	C(PC[6a]C)(H)3	C(PC[6a]C)(H)3	98.5661	0.138	2	98.5661	0.019	2	100.6954	6.731	9	99.9257	8.905	11	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:1:1:1:	3:1:1:1:	C[6a]-3:C-4:C-4:	P-3:H-1:H-1:H-1:	P-3:H-1:H-1:H-1:	P(C[6a]C[6a]2)(CH3)2	C(PC[6a]C)(H)3	C(PC[6a]C)(H)3	P(C[6a]C[6a]2)(CH3)2	C(PC[6a]C)(H)3	C(PC[6a]C)(H)3	101.3037	2.651	7	101.3037	7.028	7	100.6954	6.731	9	99.9257	8.905	11	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:3:1:1:	3:3:1:1:	C[6a]-3:C-4:C-4:	C[5]-3:P-3:H-1:H-1:	C[5]-3:P-3:H-1:H-1:	P(C[6a]C[6a]2)(CC[5]HH)2	C(C[5]N[5]O[5])(PC[6a]C)(H)2	C(C[5]N[5]O[5])(PC[6a]C)(H)2	P(C[6a]C[6a]2)(CC[5]HH)2	C(C[5]N[5]O[5])(PC[6a]C)(H)2	C(C[5]N[5]O[5])(PC[6a]C)(H)2	100.7630	0.000	1	100.7630	0.000	1	100.7630	0.000	1	99.6510	1.040	5	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:3:1:1:	3:3:1:1:	C[6a]-3:C-4:C-4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:P-3:H-1:H-1:	P(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(PC[6a]C)(H)2	C(C[6a]C[6a]2)(PC[6a]C)(H)2	P(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(PC[6a]C)(H)2	C(C[6a]C[6a]2)(PC[6a]C)(H)2	99.3499	0.000	1	99.3499	0.000	1	98.8494	0.501	2	99.6510	1.040	5	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:3:1:1:	3:3:1:1:	C[6a]-3:C-4:C-4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:P-3:H-1:H-1:	P(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(PC[6a]C)(H)2	C(C[6a]C[6a]N[6a])(PC[6a]C)(H)2	P(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(PC[6a]C)(H)2	C(C[6a]C[6a]N[6a])(PC[6a]C)(H)2	98.3489	0.000	1	98.3489	0.000	1	98.8494	0.501	2	99.6510	1.040	5	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:3:1:1:	3:3:1:1:	C[6a]-3:C-4:C-4:	P-3:N-3:H-1:H-1:	P-3:N-3:H-1:H-1:	P(C[6a]C[6a]2)(CHHN)2	C(PC[6a]C)(NCC)(H)2	C(PC[6a]C)(NCC)(H)2	P(C[6a]C[6a]2)(CHHN)2	C(PC[6a]C)(NCC)(H)2	C(PC[6a]C)(NCC)(H)2	99.8966	1.009	2	99.8966	1.018	2	99.8966	1.018	2	99.6510	1.040	5	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:3:1:1:	3:4:1:1:	C[6a]-3:C-4:C-4:	C[6a]-3:P-3:H-1:H-1:	P-3:C-4:H-1:H-1:	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(PC[6a]C)(H)2	C(PC[6a]C)(CHHP)(H)2	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(PC[6a]C)(H)2	C(PC[6a]C)(CHHP)(H)2	102.2545	0.367	2	102.2545	0.135	2	102.2545	0.135	2	102.2545	0.135	2	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:3:3:1:	3:1:1:1:	C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:P-3:H-1:	P-3:H-1:H-1:H-1:	P(C[6a]C[6a]2)(CC[6a]2H)(CH3)	C(C[6a]C[6a]2)2(PC[6a]C)(H)	C(PC[6a]C)(H)3	P(C[6a]C[6a]2)(CC[6a]2H)(CH3)	C(C[6a]C[6a]2)2(PC[6a]C)(H)	C(PC[6a]C)(H)3	103.6070	1.556	2	103.6070	2.420	2	103.6070	2.420	2	103.6070	2.420	2	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:4:1:1:	3:3:1:1:	C[6a]-3:C-4:C-4:	P-3:C-4:H-1:H-1:	P-3:N-3:H-1:H-1:	P(C[6a]C[6a]2)(CCHH)(CHHN)	C(PC[6a]C)(CCHH)(H)2	C(PC[6a]C)(NCC)(H)2	P(C[6a]C[6a]2)(CCHH)(CHHN)	C(PC[6a]C)(CCHH)(H)2	C(PC[6a]C)(NCC)(H)2	98.8344	2.652	10	98.8344	7.035	10	98.7355	6.084	14	98.7355	6.084	14	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:4:1:1:	3:3:1:1:	C[6a]-3:C-4:C-4:	P-3:C-4:H-1:H-1:	P-3:N-3:H-1:H-1:	P(C[6a]C[6a]2)(CCHH)(CHHN)	C(PC[6a]C)(CHHP)(H)2	C(PC[6a]C)(NCC)(H)2	P(C[6a]C[6a]2)(CCHH)(CHHN)	C(PC[6a]C)(CHHP)(H)2	C(PC[6a]C)(NCC)(H)2	98.4882	2.268	4	98.4882	5.144	4	98.7355	6.084	14	98.7355	6.084	14	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:4:1:1:	3:4:1:1:	C[5a]-3:C-4:C-4:	P-3:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	P(C[5a]C[5a]N[5a])(CCHH)2	C(PC[5a]C)(CH3)(H)2	C(PC[5a]C)(CH3)(H)2	P(C[5a]C[5a]N[5a])(CCHH)2	C(PC[5a]C)(CH3)(H)2	C(PC[5a]C)(CH3)(H)2	100.3900	0.000	1	100.3900	0.000	1	100.3900	0.000	1	100.3900	0.000	1	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:4:3:1:	3:1:1:1:	C[6a]-3:C-4:C-4:	C[6a]-3:C-4:P-3:H-1:	P-3:H-1:H-1:H-1:	P(C[6a]C[6a]2)(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CC[5]CC)(PC[6a]C)(H)	C(PC[6a]C)(H)3	P(C[6a]C[6a]2)(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CC[5]CC)(PC[6a]C)(H)	C(PC[6a]C)(H)3	102.2960	0.000	1	102.2960	0.000	1	102.2960	0.000	1	102.2960	0.000	1	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:4:4:1:	3:4:4:1:	C[6]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	P-3:C-4:C-4:H-1:	P(C[6]C[6]2)(CCCH)2	C(PC[6]C)(CH3)2(H)	C(PC[6]C)(CH3)2(H)	P(C[6]C[6]2)(CCCH)2	C(PC[6]C)(CH3)2(H)	C(PC[6]C)(CH3)2(H)	104.6575	1.248	2	104.6575	1.558	2	104.6575	1.558	2	103.6432	3.008	86	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:4:4:1:	3:4:4:1:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	P-3:C-4:C-4:H-1:	P(C[6a]C[5a,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C(PC[6a]C)(CH3)2(H)	P(C[6a]C[5a,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C(PC[6a]C)(CH3)2(H)	102.6265	0.636	2	102.6265	0.404	2	103.7078	2.985	80	103.6432	3.008	86	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:4:4:1:	3:4:4:1:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	P-3:C-4:C-4:H-1:	P(C[6a]C[6,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C(PC[6a]C)(CH3)2(H)	P(C[6a]C[6,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C(PC[6a]C)(CH3)2(H)	104.1060	1.731	4	104.1060	2.998	4	103.7078	2.985	80	103.6432	3.008	86	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:4:4:1:	3:4:4:1:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	P-3:C-4:C-4:H-1:	P(C[6a]C[6a,6a]2)(CCCH)2	C(PC[6a]C)(CH3)2(H)	C(PC[6a]C)(CH3)2(H)	P(C[6a]C[6a,6a]2)(CCCH)2	C(PC[6a]C)(CH3)2(H)	C(PC[6a]C)(CH3)2(H)	105.6385	0.329	2	105.6385	0.108	2	103.7078	2.985	80	103.6432	3.008	86	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:4:4:1:	3:4:4:1:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	P-3:C-4:C-4:H-1:	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C(PC[6a]C)(CH3)2(H)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C(PC[6a]C)(CH3)2(H)	104.2204	2.189	28	104.2204	4.793	28	103.7078	2.985	80	103.6432	3.008	86	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:4:4:1:	3:4:4:1:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	P-3:C-4:C-4:H-1:	P(C[6a]C[6a]2)(CCCH)2	C(PC[6a]C)(CCHH)2(H)	C(PC[6a]C)(CCHH)2(H)	P(C[6a]C[6a]2)(CCCH)2	C(PC[6a]C)(CCHH)2(H)	C(PC[6a]C)(CCHH)2(H)	102.8710	0.000	1	102.8710	0.000	1	103.7078	2.985	80	103.6432	3.008	86	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:4:4:1:	3:4:4:1:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	P-3:C-4:C-4:H-1:	P(C[6a]C[6a]2)(CCCH)2	C(PC[6a]C)(CH3)2(H)	C(PC[6a]C)(CH3)2(H)	P(C[6a]C[6a]2)(CCCH)2	C(PC[6a]C)(CH3)2(H)	C(PC[6a]C)(CH3)2(H)	103.3464	1.315	41	103.3464	1.730	41	103.7078	2.985	80	103.6432	3.008	86	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:4:4:1:	3:4:4:1:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	P-3:C-4:C-4:H-1:	P(C[6a]C[6a]N[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C(PC[6a]C)(CH3)2(H)	P(C[6a]C[6a]N[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C(PC[6a]C)(CH3)2(H)	102.7120	1.373	2	102.7120	1.886	2	103.7078	2.985	80	103.6432	3.008	86	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:4:4:1:	3:4:4:1:	N[5]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	P-3:C-4:C-4:H-1:	P(N[5]C[5]2)(CCCH)2	C(PN[5]C)(CH3)2(H)	C(PN[5]C)(CH3)2(H)	P(N[5]C[5]2)(CCCH)2	C(PN[5]C)(CH3)2(H)	C(PN[5]C)(CH3)2(H)	102.3950	0.000	1	102.3950	0.000	1	102.3950	0.000	1	103.6432	3.008	86	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:4:4:1:	3:4:4:1:	N[6]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	P-3:C-4:C-4:H-1:	P(N[6]B[6,6]C[6])(CCCH)2	C(PN[6]C)(CH3)2(H)	C(PN[6]C)(CH3)2(H)	P(N[6]B[6,6]C[6])(CCCH)2	C(PN[6]C)(CH3)2(H)	C(PN[6]C)(CH3)2(H)	101.0295	0.383	2	101.0295	0.146	2	101.0295	0.146	2	103.6432	3.008	86	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:4:4:1:	3:4:4:1:	Si[4]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	P-3:C-4:C-4:H-1:	P(Si[4]N[4]2)(CCCH)2	C(PSi[4]C)(CH3)2(H)	C(PSi[4]C)(CH3)2(H)	P(Si[4]N[4]2)(CCCH)2	C(PSi[4]C)(CH3)2(H)	C(PSi[4]C)(CH3)2(H)	102.9260	0.000	1	102.9260	0.000	1	102.9260	0.000	1	103.6432	3.008	86	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:4:4:4:	3:4:4:4:	B[6]-3:C-4:C-4:	P-3:C-4:C-4:C-4:	P-3:C-4:C-4:C-4:	P(B[6]C[6]2)(CC3)2	C(PB[6]C)(CH3)3	C(PB[6]C)(CH3)3	P(B[6]C[6]2)(CC3)2	C(PB[6]C)(CH3)3	C(PB[6]C)(CH3)3	109.4655	0.729	2	109.4655	0.531	2	109.4655	0.531	2	111.1169	3.766	42	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:4:4:4:	3:4:4:4:	C[5]-3:C-4:C-4:	P-3:C-4:C-4:C-4:	P-3:C-4:C-4:C-4:	P(C[5]C[5]2)(CC3)2	C(PC[5]C)(CH3)3	C(PC[5]C)(CH3)3	P(C[5]C[5]2)(CC3)2	C(PC[5]C)(CH3)3	C(PC[5]C)(CH3)3	110.9480	0.000	1	110.9480	0.000	1	110.8455	0.021	2	111.1169	3.766	42	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:4:4:4:	3:4:4:4:	C[5]-3:C-4:C-4:	P-3:C-4:C-4:C-4:	P-3:C-4:C-4:C-4:	P(C[5]N[5]P[5])(CC3)2	C(PC[5]C)(CH3)3	C(PC[5]C)(CH3)3	P(C[5]N[5]P[5])(CC3)2	C(PC[5]C)(CH3)3	C(PC[5]C)(CH3)3	110.7430	0.000	1	110.7430	0.000	1	110.8455	0.021	2	111.1169	3.766	42	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:4:4:4:	3:4:4:4:	C[5a]-3:C-4:C-4:	P-3:C-4:C-4:C-4:	P-3:C-4:C-4:C-4:	P(C[5a]N[5a]2)(CC3)2	C(PC[5a]C)(CH3)3	C(PC[5a]C)(CH3)3	P(C[5a]N[5a]2)(CC3)2	C(PC[5a]C)(CH3)3	C(PC[5a]C)(CH3)3	111.4815	0.019	2	111.4815	0.000	2	111.4815	0.000	2	111.1169	3.766	42	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:4:4:4:	3:4:4:4:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:C-4:	P-3:C-4:C-4:C-4:	P(C[6a]C[6,6a]C[6a])(CC3)2	C(PC[6a]C)(CH3)3	C(PC[6a]C)(CH3)3	P(C[6a]C[6,6a]C[6a])(CC3)2	C(PC[6a]C)(CH3)3	C(PC[6a]C)(CH3)3	110.6450	0.979	2	110.6450	0.958	2	111.3933	13.554	10	111.1169	3.766	42	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:4:4:4:	3:4:4:4:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:C-4:	P-3:C-4:C-4:C-4:	P(C[6a]C[6a]2)(CC3)2	C(PC[6a]C)(CCHH)(CH3)2	C(PC[6a]C)(CCHH)(CH3)2	P(C[6a]C[6a]2)(CC3)2	C(PC[6a]C)(CCHH)(CH3)2	C(PC[6a]C)(CCHH)(CH3)2	108.5830	0.000	1	108.5830	0.000	1	111.3933	13.554	10	111.1169	3.766	42	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:4:4:4:	3:4:4:4:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:C-4:	P-3:C-4:C-4:C-4:	P(C[6a]C[6a]2)(CC3)2	C(PC[6a]C)(CH3)3	C(PC[6a]C)(CH3)3	P(C[6a]C[6a]2)(CC3)2	C(PC[6a]C)(CH3)3	C(PC[6a]C)(CH3)3	112.0086	4.269	7	112.0086	18.227	7	111.3933	13.554	10	111.1169	3.766	42	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:4:4:4:	3:4:4:4:	Ga[4]-3:C-4:C-4:	P-3:C-4:C-4:C-4:	P-3:C-4:C-4:C-4:	P(Ga[4]Ga[4]P[4])(CC3)2	C(PGa[4]C)(CH3)3	C(PGa[4]C)(CH3)3	P(Ga[4]Ga[4]P[4])(CC3)2	C(PGa[4]C)(CH3)3	C(PGa[4]C)(CH3)3	110.0320	0.873	2	110.0320	0.761	2	110.0320	0.761	2	111.1169	3.766	42	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:4:4:4:	3:4:4:4:	N[5]-3:C-4:C-4:	P-3:C-4:C-4:C-4:	P-3:C-4:C-4:C-4:	P(N[5]C[5]2)(CC3)2	C(PN[5]C)(CH3)3	C(PN[5]C)(CH3)3	P(N[5]C[5]2)(CC3)2	C(PN[5]C)(CH3)3	C(PN[5]C)(CH3)3	111.1545	1.037	17	111.1545	1.076	17	111.1583	1.013	18	111.1169	3.766	42	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:4:4:4:	3:4:4:4:	N[5]-3:C-4:C-4:	P-3:C-4:C-4:C-4:	P-3:C-4:C-4:C-4:	P(N[5]C[5]N[5])(CC3)2	C(PN[5]C)(CH3)3	C(PN[5]C)(CH3)3	P(N[5]C[5]N[5])(CC3)2	C(PN[5]C)(CH3)3	C(PN[5]C)(CH3)3	111.2240	0.000	1	111.2240	0.000	1	111.1583	1.013	18	111.1169	3.766	42	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:4:4:4:	3:4:4:4:	N[5a]-3:C-4:C-4:	P-3:C-4:C-4:C-4:	P-3:C-4:C-4:C-4:	P(N[5a]C[5a,6a]C[5a])(CC3)2	C(PN[5a]C)(CH3)3	C(PN[5a]C)(CH3)3	P(N[5a]C[5a,6a]C[5a])(CC3)2	C(PN[5a]C)(CH3)3	C(PN[5a]C)(CH3)3	111.0320	0.000	1	111.0320	0.000	1	111.1320	0.081	3	111.1169	3.766	42	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:4:4:4:	3:4:4:4:	N[5a]-3:C-4:C-4:	P-3:C-4:C-4:C-4:	P-3:C-4:C-4:C-4:	P(N[5a]C[5a]2)(CC3)2	C(PN[5a]C)(CH3)3	C(PN[5a]C)(CH3)3	P(N[5a]C[5a]2)(CC3)2	C(PN[5a]C)(CH3)3	C(PN[5a]C)(CH3)3	111.1820	0.383	2	111.1820	0.147	2	111.1320	0.081	3	111.1169	3.766	42	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:4:4:4:	3:4:4:4:	N[6]-3:C-4:C-4:	P-3:C-4:C-4:C-4:	P-3:C-4:C-4:C-4:	P(N[6]B[5,6]N[6])(CC3)2	C(PN[6]C)(CH3)3	C(PN[6]C)(CH3)3	P(N[6]B[5,6]N[6])(CC3)2	C(PN[6]C)(CH3)3	C(PN[6]C)(CH3)3	110.1240	0.000	1	110.1240	0.000	1	111.6940	1.851	3	111.1169	3.766	42	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	3:4:4:4:	3:4:4:4:	N[6]-3:C-4:C-4:	P-3:C-4:C-4:C-4:	P-3:C-4:C-4:C-4:	P(N[6]C[6]2)(CC3)2	C(PN[6]C)(CH3)3	C(PN[6]C)(CH3)3	P(N[6]C[6]2)(CC3)2	C(PN[6]C)(CH3)3	C(PN[6]C)(CH3)3	112.4790	0.064	2	112.4790	0.004	2	111.6940	1.851	3	111.1169	3.766	42	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	4:3:1:1:	3:4:1:1:	C[6a]-3:C-4:C-4:	P-4:P-3:H-1:H-1:	P-3:C-4:H-1:H-1:	P(C[6a]C[6a]2)(CCHH)(CHHP)	C(PC[6a]FeC)(PC[6a]C)(H)2	C(PC[6a]C)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(CHHP)	C(PC[6a]FeC)(PC[6a]C)(H)2	C(PC[6a]C)(CHHP)(H)2	104.6210	0.000	1	104.6210	0.000	1	104.8820	0.521	3	104.8820	0.521	3	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	4:3:1:1:	3:4:1:1:	C[6a]-3:C-4:C-4:	P-4:P-3:H-1:H-1:	P-3:C-4:H-1:H-1:	P(C[6a]C[6a]2)(CCHH)(CHHP)	C(PC[6a]NiC)(PC[6a]C)(H)2	C(PC[6a]C)(CHHP)(H)2	P(C[6a]C[6a]2)(CCHH)(CHHP)	C(PC[6a]NiC)(PC[6a]C)(H)2	C(PC[6a]C)(CHHP)(H)2	105.0125	0.969	2	105.0125	0.940	2	104.8820	0.521	3	104.8820	0.521	3	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	4:3:1:1:	4:3:1:1:	C[6a]-3:C-4:C-4:	P-4:P-3:H-1:H-1:	P-4:P-3:H-1:H-1:	P(C[6a]C[6a]2)(CHHP)2	C(PC[6a]2Pd)(PC[6a]C)(H)2	C(PC[6a]PdC)(PC[6a]C)(H)2	P(C[6a]C[6a]2)(CHHP)2	C(PC[6a]2Pd)(PC[6a]C)(H)2	C(PC[6a]PdC)(PC[6a]C)(H)2	98.8233	1.769	4	98.8233	3.128	4	98.8233	3.128	4	99.2885	3.428	5	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	4:3:1:1:	4:3:1:1:	N-3:C-4:C-4:	C-4:P-3:H-1:H-1:	C-4:P-3:H-1:H-1:	P(NC[6]H)(CCHH)2	C(CH3)(PCN)(H)2	C(CH3)(PCN)(H)2	P(NC[6]H)(CCHH)2	C(CH3)(PCN)(H)2	C(CH3)(PCN)(H)2	101.1490	0.000	1	101.1490	0.000	1	101.1490	0.000	1	99.2885	3.428	5	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	4:4:3:1:	4:4:3:1:	C-3:C-4:C-4:	C-4:C-4:P-3:H-1:	C-4:C-4:P-3:H-1:	P(CC[5]H)(CCCH)2	C(CH3)2(PCC)(H)	C(CH3)2(PCC)(H)	P(CC[5]H)(CCCH)2	C(CH3)2(PCC)(H)	C(CH3)2(PCC)(H)	100.1111	1.046	4	100.1111	1.093	4	100.1111	1.093	4	101.1347	1.536	11	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	4:4:3:1:	4:4:3:1:	N-3:C-4:C-4:	C-4:C-4:P-3:H-1:	C-4:C-4:P-3:H-1:	P(NC[5]Co)(CCCH)2	C(CH3)2(PCN)(H)	C(CH3)2(PCN)(H)	P(NC[5]Co)(CCCH)2	C(CH3)2(PCN)(H)	C(CH3)2(PCN)(H)	101.2670	0.000	1	101.2670	0.000	1	101.7196	0.916	7	101.1347	1.536	11	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	4:4:3:1:	4:4:3:1:	N-3:C-4:C-4:	C-4:C-4:P-3:H-1:	C-4:C-4:P-3:H-1:	P(NC[5]Fe)(CCCH)2	C(CH3)2(PCN)(H)	C(CH3)2(PCN)(H)	P(NC[5]Fe)(CCCH)2	C(CH3)2(PCN)(H)	C(CH3)2(PCN)(H)	100.5975	0.740	2	100.5975	0.548	2	101.7196	0.916	7	101.1347	1.536	11	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	4:4:3:1:	4:4:3:1:	N-3:C-4:C-4:	C-4:C-4:P-3:H-1:	C-4:C-4:P-3:H-1:	P(NC[6a]H)(CCCH)2	C(CH3)2(PCN)(H)	C(CH3)2(PCN)(H)	P(NC[6a]H)(CCCH)2	C(CH3)2(PCN)(H)	C(CH3)2(PCN)(H)	102.6235	0.442	2	102.6235	0.195	2	101.7196	0.916	7	101.1347	1.536	11	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	4:4:3:1:	4:4:3:1:	N-3:C-4:C-4:	C-4:C-4:P-3:H-1:	C-4:C-4:P-3:H-1:	P(NC[6a]N)(CCCH)2	C(CH3)2(PCN)(H)	C(CH3)2(PCN)(H)	P(NC[6a]N)(CCCH)2	C(CH3)2(PCN)(H)	C(CH3)2(PCN)(H)	102.1640	0.000	2	102.1640	0.000	2	101.7196	0.916	7	101.1347	1.536	11	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	4:4:4:3:	4:4:4:3:	B-3:C-4:C-4:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(BBrN)(CC3)2	C(CH3)3(PBC)	C(CH3)3(PBC)	P(BBrN)(CC3)2	C(CH3)3(PBC)	C(CH3)3(PBC)	112.7950	0.000	1	112.7950	0.000	1	114.2478	7.664	5	111.0895	9.966	13	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	4:4:4:3:	4:4:4:3:	B-3:C-4:C-4:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(BC[6a]2)(CC3)2	C(CH3)3(PBC)	C(CH3)3(PBC)	P(BC[6a]2)(CC3)2	C(CH3)3(PBC)	C(CH3)3(PBC)	117.0750	0.000	2	117.0750	0.000	2	114.2478	7.664	5	111.0895	9.966	13	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	4:4:4:3:	4:4:4:3:	B-3:C-4:C-4:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(BC[6a]P)(CC3)2	C(CH3)3(PBC)	C(CH3)3(PBC)	P(BC[6a]P)(CC3)2	C(CH3)3(PBC)	C(CH3)3(PBC)	112.1470	1.932	2	112.1470	3.732	2	114.2478	7.664	5	111.0895	9.966	13	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	4:4:4:3:	4:4:4:3:	C-3:C-4:C-4:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(CC[6]H)(CC3)2	C(CH3)3(PCC)	C(CH3)3(PCC)	P(CC[6]H)(CC3)2	C(CH3)3(PCC)	C(CH3)3(PCC)	109.7900	0.000	1	109.7900	0.000	1	109.7900	0.000	1	111.0895	9.966	13	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	4:4:4:3:	4:4:4:3:	N-3:C-4:C-4:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(NAlH)(CC3)2	C(CH3)3(PCN)	C(CH3)3(PCN)	P(NAlH)(CC3)2	C(CH3)3(PCN)	C(CH3)3(PCN)	108.1930	0.525	2	108.1930	0.275	2	108.1930	0.275	2	111.0895	9.966	13	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	4:4:4:3:	4:4:4:3:	P-3:C-4:C-4:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(PC[5]W)(CC3)2	C(CH3)3(PCP)	C(CH3)3(PCP)	P(PC[5]W)(CC3)2	C(CH3)3(PCP)	C(CH3)3(PCP)	108.9770	0.000	1	108.9770	0.000	1	109.3496	1.295	5	111.0895	9.966	13	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	4:4:4:3:	4:4:4:3:	P-3:C-4:C-4:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(PC[6a]2)(CC3)2	C(CH3)3(PCP)	C(CH3)3(PCP)	P(PC[6a]2)(CC3)2	C(CH3)3(PCP)	C(CH3)3(PCP)	108.5480	0.000	1	108.5480	0.000	1	109.3496	1.295	5	111.0895	9.966	13	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	4:4:4:3:	4:4:4:3:	P-3:C-4:C-4:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(PC[6a]N)(CC3)2	C(CH3)3(PCP)	C(CH3)3(PCP)	P(PC[6a]N)(CC3)2	C(CH3)3(PCP)	C(CH3)3(PCP)	109.4990	0.000	1	109.4990	0.000	1	109.3496	1.295	5	111.0895	9.966	13	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	3:4:4:	4:4:4:3:	4:4:4:3:	P-3:C-4:C-4:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(PC[6a]P)(CC3)2	C(CH3)3(PCP)	C(CH3)3(PCP)	P(PC[6a]P)(CC3)2	C(CH3)3(PCP)	C(CH3)3(PCP)	109.8620	1.963	2	109.8620	3.853	2	109.3496	1.295	5	111.0895	9.966	13	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:1:	3:3:1:1:	3:3:1:1:	C-4:C-4:Cl-1:	P-3:C-3:H-1:H-1:	P-3:C-3:H-1:H-1:	P(CCHH)2(Cl)	C(PClC)(CCN)(H)2	C(PClC)(CCN)(H)2	P(CCHH)2(Cl)	C(PClC)(CCN)(H)2	C(PClC)(CCN)(H)2	99.3128	0.000	1	99.3128	0.000	1	99.3128	0.000	1	99.3128	0.000	1	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:1:	4:3:1:1:	4:4:4:3:	C-4:C-4:I-1:	C-4:P-3:H-1:H-1:	C-4:C-4:C-4:P-3:	P(CCHH)(CC3)(I)	C(CHHP)(PCI)(H)2	C(CH3)3(PCI)	P(CCHH)(CC3)(I)	C(CHHP)(PCI)(H)2	C(CH3)3(PCI)	101.8690	0.000	1	101.8690	0.000	1	101.8690	0.000	1	101.8690	0.000	1	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:1:	4:4:3:1:	4:4:3:1:	C-4:C-4:Cl-1:	Si-4:Si-4:P-3:H-1:	Si-4:Si-4:P-3:H-1:	P(CSi2H)2(Cl)	C(SiC3)2(PClC)(H)	C(SiC3)2(PClC)(H)	P(CSi2H)2(Cl)	C(SiC3)2(PClC)(H)	C(SiC3)2(PClC)(H)	105.9230	0.000	1	105.9230	0.000	1	105.9230	0.000	1	105.9230	0.000	1	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:2:	3:4:4:4:	3:4:4:4:	C-4:C-4:Se-2:	P-3:C-4:C-4:C-4:	P-3:C-4:C-4:C-4:	P(CC3)2(SeP)	C(PSeC)(CH3)3	C(PSeC)(CH3)3	P(CC3)2(SeP)	C(PSeC)(CH3)3	C(PSeC)(CH3)3	110.0650	0.738	4	110.0650	0.545	4	110.0650	0.545	4	110.0650	0.545	4	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:2:	4:4:3:1:	4:4:3:1:	C-4:C-4:N-2:	C-4:C-4:P-3:H-1:	C-4:C-4:P-3:H-1:	P(CCCH)2(NC)	C(CH3)2(PCN)(H)	C(CH3)2(PCN)(H)	P(CCCH)2(NC)	C(CH3)2(PCN)(H)	C(CH3)2(PCN)(H)	102.9638	0.924	4	102.9638	0.854	4	104.7297	8.989	9	104.7297	8.989	9	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:2:	4:4:3:1:	4:4:3:1:	C-4:C-4:N-2:	C-4:C-4:P-3:H-1:	C-4:C-4:P-3:H-1:	P(CCCH)2(NP)	C(CH3)2(PCN)(H)	C(CH3)2(PCN)(H)	P(CCCH)2(NP)	C(CH3)2(PCN)(H)	C(CH3)2(PCN)(H)	106.1424	3.424	5	106.1424	11.725	5	104.7297	8.989	9	104.7297	8.989	9	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:2:	4:4:4:3:	4:4:4:3:	C-4:C-4:N-2:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(CC3)2(NP)	C(CH3)3(PCN)	C(CH3)3(PCN)	P(CC3)2(NP)	C(CH3)3(PCN)	C(CH3)3(PCN)	108.8915	0.301	2	108.8915	0.090	2	108.8915	0.090	2	108.8915	0.090	2	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:3:	3:1:1:1:	3:1:1:1:	C-4:C-4:P-3:	P-3:F-1:F-1:F-1:	P-3:F-1:F-1:F-1:	P(CF3)2(PCC)	C(PCP)(F)3	C(PCP)(F)3	P(CF3)2(PCC)	C(PCP)(F)3	C(PCP)(F)3	96.3276	0.000	1	96.3276	0.000	1	96.3276	0.000	1	96.3276	0.000	1	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:3:	4:3:1:1:	4:4:4:3:	C-4:C-4:P-3:	C-4:P-3:H-1:H-1:	C-4:C-4:C-4:P-3:	P(CCHH)(CC3)(PCC)	C(CHHP)(PCP)(H)2	C(CH3)3(PCP)	P(CCHH)(CC3)(PCC)	C(CHHP)(PCP)(H)2	C(CH3)3(PCP)	104.4560	0.601	2	104.4560	0.361	2	104.4560	0.361	2	104.4560	0.361	2	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:3:	4:4:3:1:	4:4:3:1:	C-4:C-4:C-3:	C-4:C-4:P-3:H-1:	C-4:C-4:P-3:H-1:	P(CCCH)2(CCW)	C(CH3)2(PCC)(H)	C(CH3)2(PCC)(H)	P(CCCH)2(CCW)	C(CH3)2(PCC)(H)	C(CH3)2(PCC)(H)	106.9565	1.117	2	106.9565	1.247	2	106.9565	1.247	2	103.5588	3.106	16	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:3:	4:4:3:1:	4:4:3:1:	C-4:C-4:N-3:	C-4:C-4:P-3:H-1:	C-4:C-4:P-3:H-1:	P(CCCH)2(NCH)	C(CH3)2(PCN)(H)	C(CH3)2(PCN)(H)	P(CCCH)2(NCH)	C(CH3)2(PCN)(H)	C(CH3)2(PCN)(H)	101.4700	0.000	1	101.4700	0.000	1	102.1585	1.162	6	103.5588	3.106	16	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:3:	4:4:3:1:	4:4:3:1:	C-4:C-4:N-3:	C-4:C-4:P-3:H-1:	C-4:C-4:P-3:H-1:	P(CCCH)2(NHP)	C(CH3)2(PCN)(H)	C(CH3)2(PCN)(H)	P(CCCH)2(NHP)	C(CH3)2(PCN)(H)	C(CH3)2(PCN)(H)	102.2198	1.307	4	102.2198	1.707	4	102.1585	1.162	6	103.5588	3.106	16	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:3:	4:4:3:1:	4:4:3:1:	C-4:C-4:N-3:	C-4:C-4:P-3:H-1:	C-4:C-4:P-3:H-1:	P(CCCH)2(NRuC)	C(CH3)2(PCN)(H)	C(CH3)2(PCN)(H)	P(CCCH)2(NRuC)	C(CH3)2(PCN)(H)	C(CH3)2(PCN)(H)	102.6020	0.000	1	102.6020	0.000	1	102.1585	1.162	6	103.5588	3.106	16	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:3:	4:4:3:1:	4:4:3:1:	C-4:C-4:P-3:	C-4:C-4:P-3:H-1:	C-4:C-4:P-3:H-1:	P(CCCH)2(PMoP)	C(CH3)2(PCP)(H)	C(CH3)2(PCP)(H)	P(CCCH)2(PMoP)	C(CH3)2(PCP)(H)	C(CH3)2(PCP)(H)	103.8740	0.601	2	103.8740	0.361	2	104.2087	0.830	4	103.5588	3.106	16	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:3:	4:4:3:1:	4:4:3:1:	C-4:C-4:P-3:	C-4:C-4:P-3:H-1:	C-4:C-4:P-3:H-1:	P(CCCH)2(PPW)	C(CH3)2(PCP)(H)	C(CH3)2(PCP)(H)	P(CCCH)2(PPW)	C(CH3)2(PCP)(H)	C(CH3)2(PCP)(H)	104.5435	1.296	2	104.5435	1.680	2	104.2087	0.830	4	103.5588	3.106	16	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:3:	4:4:3:1:	4:4:3:1:	C-4:C-4:P-3:	Si-4:Si-4:P-3:H-1:	Si-4:Si-4:P-3:H-1:	P(CSi2H)2(PCC)	C(SiC3)2(PCP)(H)	C(SiC3)2(PCP)(H)	P(CSi2H)2(PCC)	C(SiC3)2(PCP)(H)	C(SiC3)2(PCP)(H)	103.3105	0.294	4	103.3105	0.086	4	103.3105	0.086	4	103.5588	3.106	16	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:3:	4:4:4:3:	3:1:1:1:	C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P-3:H-1:H-1:H-1:	P(CC3)(CH3)(PCP)	C(CH3)3(PCP)	C(PCP)(H)3	P(CC3)(CH3)(PCP)	C(CH3)3(PCP)	C(PCP)(H)3	104.2480	0.918	2	104.2480	0.842	2	104.2480	0.842	2	104.2480	0.842	2	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:3:	4:4:4:3:	4:4:4:3:	C-4:C-4:B-3:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(CC3)2(BNP)	C(CH3)3(PBC)	C(CH3)3(PBC)	P(CC3)2(BNP)	C(CH3)3(PBC)	C(CH3)3(PBC)	110.8500	0.033	2	110.8500	0.001	2	110.8500	0.001	2	110.9189	3.685	22	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:3:	4:4:4:3:	4:4:4:3:	C-4:C-4:C-3:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(CC3)2(CCP)	C(CH3)3(PCC)	C(CH3)3(PCC)	P(CC3)2(CCP)	C(CH3)3(PCC)	C(CH3)3(PCC)	110.0045	0.494	2	110.0045	0.244	2	110.8850	0.389	10	110.9189	3.685	22	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:3:	4:4:4:3:	4:4:4:3:	C-4:C-4:C-3:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(CC3)2(COO)	C(CH3)3(PCC)	C(CH3)3(PCC)	P(CC3)2(COO)	C(CH3)3(PCC)	C(CH3)3(PCC)	111.2355	0.411	2	111.2355	0.169	2	110.8850	0.389	10	110.9189	3.685	22	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:3:	4:4:4:3:	4:4:4:3:	C-4:C-4:C-3:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(CC3)2(COP)	C(CH3)3(PCC)	C(CH3)3(PCC)	P(CC3)2(COP)	C(CH3)3(PCC)	C(CH3)3(PCC)	110.9343	0.364	3	110.9343	0.132	3	110.8850	0.389	10	110.9189	3.685	22	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:3:	4:4:4:3:	4:4:4:3:	C-4:C-4:C-3:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(CC3)2(CSS)	C(CH3)3(PCC)	C(CH3)3(PCC)	P(CC3)2(CSS)	C(CH3)3(PCC)	C(CH3)3(PCC)	111.1890	0.609	3	111.1890	0.371	3	110.8850	0.389	10	110.9189	3.685	22	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:3:	4:4:4:3:	4:4:4:3:	C-4:C-4:N-3:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(CC3)2(NCC)	C(CH3)3(PCN)	C(CH3)3(PCN)	P(CC3)2(NCC)	C(CH3)3(PCN)	C(CH3)3(PCN)	118.1720	0.000	1	118.1720	0.000	1	113.4140	10.581	4	110.9189	3.685	22	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:3:	4:4:4:3:	4:4:4:3:	C-4:C-4:N-3:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(CC3)2(NCH)	C(CH3)3(PCN)	C(CH3)3(PCN)	P(CC3)2(NCH)	C(CH3)3(PCN)	C(CH3)3(PCN)	111.8280	0.883	3	111.8280	0.780	3	113.4140	10.581	4	110.9189	3.685	22	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:3:	4:4:4:3:	4:4:4:3:	C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(CC3)2(PCN)	C(CH3)3(PCP)	C(CH3)3(PCP)	P(CC3)2(PCN)	C(CH3)3(PCP)	C(CH3)3(PCP)	109.5160	0.000	1	109.5160	0.000	1	109.3348	0.431	6	110.9189	3.685	22	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:3:	4:4:4:3:	4:4:4:3:	C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(CC3)2(PNN)	C(CH3)3(PCP)	C(CH3)3(PCP)	P(CC3)2(PNN)	C(CH3)3(PCP)	C(CH3)3(PCP)	108.9830	0.205	4	108.9830	0.042	4	109.3348	0.431	6	110.9189	3.685	22	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:3:	4:4:4:3:	4:4:4:3:	C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(CC3)2(PPP)	C(CH3)3(PCP)	C(CH3)3(PCP)	P(CC3)2(PPP)	C(CH3)3(PCP)	C(CH3)3(PCP)	110.5610	0.000	1	110.5610	0.000	1	109.3348	0.431	6	110.9189	3.685	22	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:1:1:1:	3:1:1:1:	C-4:C-4:C-4:	P-3:H-1:H-1:H-1:	P-3:H-1:H-1:H-1:	P(CCHH)(CH3)2	C(PCC)(H)3	C(PCC)(H)3	P(CCHH)(CH3)2	C(PCC)(H)3	C(PCC)(H)3	97.8415	5.413	5	97.8415	29.298	5	100.6921	23.301	22	100.5777	18.314	29	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:1:1:1:	3:1:1:1:	C-4:C-4:C-4:	P-3:H-1:H-1:H-1:	P-3:H-1:H-1:H-1:	P(CH3)3	C(PCC)(H)3	C(PCC)(H)3	P(CH3)3	C(PCC)(H)3	C(PCC)(H)3	102.1864	4.676	14	102.1864	21.861	14	100.6921	23.301	22	100.5777	18.314	29	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:1:1:1:	3:1:1:1:	C-4:C-4:C-4:	P-3:H-1:H-1:H-1:	P-3:H-1:H-1:H-1:	P(CHHP)(CH3)2	C(PCC)(H)3	C(PCC)(H)3	P(CHHP)(CH3)2	C(PCC)(H)3	C(PCC)(H)3	98.9149	0.192	2	98.9149	0.037	2	100.6921	23.301	22	100.5777	18.314	29	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:1:1:1:	3:1:1:1:	C-4:C-4:C-4:	P-3:H-1:H-1:H-1:	P-3:H-1:H-1:H-1:	P(CNiHH)(CH3)2	C(PCC)(H)3	C(PCC)(H)3	P(CNiHH)(CH3)2	C(PCC)(H)3	C(PCC)(H)3	97.5785	0.000	1	97.5785	0.000	1	100.6921	23.301	22	100.5777	18.314	29	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:1:1:1:	3:1:1:1:	C[5]-4:C-4:C-4:	P-3:F-1:F-1:F-1:	P-3:F-1:F-1:F-1:	P(C[5]C[5]2Fe)(CF3)2	C(PC[5]C)(F)3	C(PC[5]C)(F)3	P(C[5]C[5]2Fe)(CF3)2	C(PC[5]C)(F)3	C(PC[5]C)(F)3	96.0139	0.000	1	96.0139	0.000	1	96.0139	0.000	1	100.5777	18.314	29	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:1:1:1:	3:1:1:1:	P-4:C-4:C-4:	P-3:H-1:H-1:H-1:	P-3:H-1:H-1:H-1:	P(PCCP)(CH3)2	C(PCP)(H)3	C(PCP)(H)3	P(PCCP)(CH3)2	C(PCP)(H)3	C(PCP)(H)3	100.9622	0.734	4	100.9622	0.539	4	100.9188	0.333	6	100.5777	18.314	29	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:1:1:1:	3:1:1:1:	P-4:C-4:C-4:	P-3:H-1:H-1:H-1:	P-3:H-1:H-1:H-1:	P(PC[6a]2C)(CH3)2	C(PCP)(H)3	C(PCP)(H)3	P(PC[6a]2C)(CH3)2	C(PCP)(H)3	C(PCP)(H)3	100.8320	0.156	2	100.8320	0.024	2	100.9188	0.333	6	100.5777	18.314	29	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:2:1:1:	3:2:1:1:	C-4:C-4:C-4:	P-3:N-2:H-1:H-1:	P-3:N-2:H-1:H-1:	P(CHHN)3	C(PCC)(NC)(H)2	C(PCC)(NC)(H)2	P(CHHN)3	C(PCC)(NC)(H)2	C(PCC)(NC)(H)2	98.7640	1.403	3	98.7640	1.969	3	98.7640	1.969	3	98.9464	1.446	4	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:2:1:1:	3:2:1:1:	C-4:C-4:C-4:	P-3:O-2:H-1:H-1:	P-3:O-2:H-1:H-1:	P(CCHH)(CHHO)2	C(PCC)(OH)(H)2	C(PCC)(OH)(H)2	P(CCHH)(CHHO)2	C(PCC)(OH)(H)2	C(PCC)(OH)(H)2	99.4936	0.000	1	99.4936	0.000	1	99.4936	0.000	1	98.9464	1.446	4	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:3:1:1:	3:1:1:1:	C-4:C-4:C-4:	C-3:P-3:H-1:H-1:	P-3:H-1:H-1:H-1:	P(CCHH)2(CH3)	C(CCC)(PCC)(H)2	C(PCC)(H)3	P(CCHH)2(CH3)	C(CCC)(PCC)(H)2	C(PCC)(H)3	97.4914	0.649	4	97.4914	0.421	4	97.4914	0.421	4	97.4914	0.421	4	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:3:1:1:	3:3:1:1:	C-4:C-4:C-4:	C-3:P-3:H-1:H-1:	C-3:P-3:H-1:H-1:	P(CCHH)2(CH3)	C(CCC)(PCC)(H)2	C(CCC)(PCC)(H)2	P(CCHH)2(CH3)	C(CCC)(PCC)(H)2	C(CCC)(PCC)(H)2	101.3815	0.226	2	101.3815	0.051	2	101.3815	0.051	2	100.0197	11.143	32	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:3:1:1:	3:3:1:1:	C-4:C-4:C-4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:P-3:H-1:H-1:	P(CC[6a]HH)3	C(C[6a]C[6a]2)(PCC)(H)2	C(C[6a]C[6a]2)(PCC)(H)2	P(CC[6a]HH)3	C(C[6a]C[6a]2)(PCC)(H)2	C(C[6a]C[6a]2)(PCC)(H)2	101.5036	4.382	11	101.5036	19.201	11	101.4394	15.055	14	100.0197	11.143	32	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:3:1:1:	3:3:1:1:	C-4:C-4:C-4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:P-3:H-1:H-1:	P(CC[6a]HH)3	C(C[6a]C[6a]N[6a])(PCC)(H)2	C(C[6a]C[6a]N[6a])(PCC)(H)2	P(CC[6a]HH)3	C(C[6a]C[6a]N[6a])(PCC)(H)2	C(C[6a]C[6a]N[6a])(PCC)(H)2	101.2038	1.322	3	101.2038	1.749	3	101.4394	15.055	14	100.0197	11.143	32	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:3:1:1:	3:3:1:1:	C-4:C-4:C-4:	C[6a]-3:P-3:H-1:H-1:	N-3:P-3:H-1:H-1:	P(CC[6a]HH)(CHHN)2	C(C[6a]C[6a]2)(PCC)(H)2	C(NC[6a]C)(PCC)(H)2	P(CC[6a]HH)(CHHN)2	C(C[6a]C[6a]2)(PCC)(H)2	C(NC[6a]C)(PCC)(H)2	96.5007	1.304	2	96.5007	1.701	2	96.5007	1.701	2	100.0197	11.143	32	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:3:1:1:	3:3:1:1:	C-4:C-4:C-4:	N-3:P-3:H-1:H-1:	N-3:P-3:H-1:H-1:	P(CC[6a]HH)(CHHN)2	C(NC[6a]C)(PCC)(H)2	C(NC[6a]C)(PCC)(H)2	P(CC[6a]HH)(CHHN)2	C(NC[6a]C)(PCC)(H)2	C(NC[6a]C)(PCC)(H)2	99.1108	0.000	1	99.1108	0.000	1	100.3814	3.229	2	100.0197	11.143	32	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:3:1:1:	3:3:1:1:	C-4:C-4:C-4:	N-3:P-3:H-1:H-1:	N-3:P-3:H-1:H-1:	P(CHHN)3	C(NCC)(PCC)(H)2	C(NCC)(PCC)(H)2	P(CHHN)3	C(NCC)(PCC)(H)2	C(NCC)(PCC)(H)2	101.6520	0.000	1	101.6520	0.000	1	100.3814	3.229	2	100.0197	11.143	32	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:3:1:1:	3:3:1:1:	C-4:C-4:C-4:	N[6]-3:P-3:H-1:H-1:	N[6]-3:P-3:H-1:H-1:	P(CN[6]HH)3	C(N[6]C[6]2)(PCC)(H)2	C(N[6]C[6]2)(PCC)(H)2	P(CN[6]HH)3	C(N[6]C[6]2)(PCC)(H)2	C(N[6]C[6]2)(PCC)(H)2	98.2058	2.662	9	98.2058	7.089	9	98.2058	7.089	9	100.0197	11.143	32	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:3:1:1:	3:3:1:1:	C[5]-4:C-4:C-4:	N-3:P-3:H-1:H-1:	N-3:P-3:H-1:H-1:	P(C[5]C[5]2Fe)(CHHN)2	C(NC[6a]C)(PC[5]C)(H)2	C(NC[6a]C)(PC[5]C)(H)2	P(C[5]C[5]2Fe)(CHHN)2	C(NC[6a]C)(PC[5]C)(H)2	C(NC[6a]C)(PC[5]C)(H)2	100.0337	0.848	3	100.0337	0.720	3	100.0337	0.720	3	100.0197	11.143	32	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:3:1:1:	4:4:3:1:	C-4:C-4:C-4:	C[5]-3:P-3:H-1:H-1:	C-4:C-4:P-3:H-1:	P(CC[5]HH)(CCCH)2	C(C[5]C[5]N[5])(PCC)(H)2	C(CH3)2(PCC)(H)	P(CC[5]HH)(CCCH)2	C(C[5]C[5]N[5])(PCC)(H)2	C(CH3)2(PCC)(H)	101.5475	0.406	4	101.5475	0.165	4	101.5475	0.165	4	100.9836	6.463	18	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:3:1:1:	4:4:3:1:	C-4:C-4:C-4:	C[5a]-3:P-3:H-1:H-1:	C-4:C-4:P-3:H-1:	P(CC[5a]HH)(CCCH)2	C(C[5a]N[5a,6]C[5a])(PCC)(H)2	C(CH3)2(PCC)(H)	P(CC[5a]HH)(CCCH)2	C(C[5a]N[5a,6]C[5a])(PCC)(H)2	C(CH3)2(PCC)(H)	103.2328	4.556	4	103.2328	20.754	4	103.2328	20.754	4	100.9836	6.463	18	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:3:1:1:	4:4:3:1:	C-4:C-4:C-4:	C[6a]-3:P-3:H-1:H-1:	C-4:C-4:P-3:H-1:	P(CC[6a]HH)(CCCH)2	C(C[6a]C[5a,6a]C[6a])(PCC)(H)2	C(CH3)2(PCC)(H)	P(CC[6a]HH)(CCCH)2	C(C[6a]C[5a,6a]C[6a])(PCC)(H)2	C(CH3)2(PCC)(H)	100.1425	1.647	2	100.1425	2.712	2	100.1425	2.712	2	100.9836	6.463	18	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:3:1:1:	4:4:3:1:	C-4:C-4:C-4:	N-3:P-3:H-1:H-1:	C-4:C-4:P-3:H-1:	P(CCCH)2(CHHN)	C(NC[6a]Al)(PCC)(H)2	C(CH3)2(PCC)(H)	P(CCCH)2(CHHN)	C(NC[6a]Al)(PCC)(H)2	C(CH3)2(PCC)(H)	99.2417	0.798	4	99.2417	0.637	4	99.2417	0.637	4	100.9836	6.463	18	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:3:1:1:	4:4:3:1:	C-4:C-4:C-4:	N[5a]-3:P-3:H-1:H-1:	C-4:C-4:P-3:H-1:	P(CN[5a]HH)(CCCH)2	C(N[5a]C[5a,6a]B[5a])(PCC)(H)2	C(CH3)2(PCC)(H)	P(CN[5a]HH)(CCCH)2	C(N[5a]C[5a,6a]B[5a])(PCC)(H)2	C(CH3)2(PCC)(H)	100.3329	1.384	4	100.3329	1.915	4	100.3329	1.915	4	100.9836	6.463	18	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:3:1:1:	4:4:4:3:	C-4:C-4:C-4:	C[5]-3:P-3:H-1:H-1:	C-4:C-4:C-4:P-3:	P(CC[5]HH)(CC3)2	C(C[5]C[5]N[5])(PCC)(H)2	C(CH3)3(PCC)	P(CC[5]HH)(CC3)2	C(C[5]C[5]N[5])(PCC)(H)2	C(CH3)3(PCC)	99.7745	1.481	2	99.7745	2.195	2	99.7745	2.195	2	101.3172	2.332	42	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:3:1:1:	4:4:4:3:	C-4:C-4:C-4:	C[5a]-3:P-3:H-1:H-1:	C-4:C-4:C-4:P-3:	P(CC[5a]HH)(CC3)2	C(C[5a]C[5a]N[5a])(PCC)(H)2	C(CH3)3(PCC)	P(CC[5a]HH)(CC3)2	C(C[5a]C[5a]N[5a])(PCC)(H)2	C(CH3)3(PCC)	101.3711	1.094	10	101.3711	1.197	10	101.3711	1.197	10	101.3172	2.332	42	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:3:1:1:	4:4:4:3:	C-4:C-4:C-4:	C[6]-3:P-3:H-1:H-1:	C-4:C-4:C-4:P-3:	P(CC[6]HH)(CC3)2	C(C[6]C[6]N[6])(PCC)(H)2	C(CH3)3(PCC)	P(CC[6]HH)(CC3)2	C(C[6]C[6]N[6])(PCC)(H)2	C(CH3)3(PCC)	101.2402	1.827	8	101.2402	3.339	8	101.2402	3.339	8	101.3172	2.332	42	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:3:1:1:	4:4:4:3:	C-4:C-4:C-4:	C[6a]-3:P-3:H-1:H-1:	B-4:C-4:C-4:P-3:	P(CC[6a]HH)(CBCC)(CC3)	C(C[6a]C[6a]2)(PCC)(H)2	C(BH3)(CH3)2(PCC)	P(CC[6a]HH)(CBCC)(CC3)	C(C[6a]C[6a]2)(PCC)(H)2	C(BH3)(CH3)2(PCC)	104.3540	0.000	1	104.3540	0.000	1	104.3540	0.000	1	101.3172	2.332	42	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:3:1:1:	4:4:4:3:	C-4:C-4:C-4:	C[6a]-3:P-3:H-1:H-1:	C-4:C-4:C-4:P-3:	P(CC[6a]HH)(CBCC)(CC3)	C(C[6a]C[6a]2)(PCC)(H)2	C(CH3)3(PCC)	P(CC[6a]HH)(CBCC)(CC3)	C(C[6a]C[6a]2)(PCC)(H)2	C(CH3)3(PCC)	103.2440	0.000	1	103.2440	0.000	1	101.1193	3.241	11	101.3172	2.332	42	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:3:1:1:	4:4:4:3:	C-4:C-4:C-4:	C[6a]-3:P-3:H-1:H-1:	C-4:C-4:C-4:P-3:	P(CC[6a]HH)(CC3)2	C(C[6a]C[6a,6a]C[6a])(PCC)(H)2	C(CH3)3(PCC)	P(CC[6a]HH)(CC3)2	C(C[6a]C[6a,6a]C[6a])(PCC)(H)2	C(CH3)3(PCC)	100.3983	1.446	4	100.3983	2.090	4	101.1193	3.241	11	101.3172	2.332	42	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:3:1:1:	4:4:4:3:	C-4:C-4:C-4:	C[6a]-3:P-3:H-1:H-1:	C-4:C-4:C-4:P-3:	P(CC[6a]HH)(CC3)2	C(C[6a]C[6a]2)(PCC)(H)2	C(CH3)3(PCC)	P(CC[6a]HH)(CC3)2	C(C[6a]C[6a]2)(PCC)(H)2	C(CH3)3(PCC)	101.2458	1.972	6	101.2458	3.890	6	101.1193	3.241	11	101.3172	2.332	42	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:3:1:1:	4:4:4:3:	C-4:C-4:C-4:	N-3:P-3:H-1:H-1:	C-4:C-4:C-4:P-3:	P(CHHN)(CC3)2	C(NC[6a]Sn)(PCC)(H)2	C(CH3)3(PCC)	P(CHHN)(CC3)2	C(NC[6a]Sn)(PCC)(H)2	C(CH3)3(PCC)	102.2952	0.756	4	102.2952	0.571	4	102.2952	0.571	4	101.3172	2.332	42	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:3:1:1:	4:4:4:3:	C-4:C-4:C-4:	N[5]-3:P-3:H-1:H-1:	C-4:C-4:C-4:P-3:	P(CN[5]HH)(CC3)2	C(N[5]C[5,6a]Ge[5])(PCC)(H)2	C(CH3)3(PCC)	P(CN[5]HH)(CC3)2	C(N[5]C[5,6a]Ge[5])(PCC)(H)2	C(CH3)3(PCC)	101.0819	1.544	2	101.0819	2.385	2	101.0819	2.385	2	101.3172	2.332	42	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:3:1:1:	4:4:4:3:	C-4:C-4:C-4:	P-3:P-3:H-1:H-1:	C-4:C-4:C-4:P-3:	P(CHHP)(CC3)2	C(PC[6]2)(PCC)(H)2	C(CH3)3(PCC)	P(CHHP)(CC3)2	C(PC[6]2)(PCC)(H)2	C(CH3)3(PCC)	100.6685	1.698	2	100.6685	2.883	2	101.0325	1.337	4	101.3172	2.332	42	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:3:1:1:	4:4:4:3:	C-4:C-4:C-4:	P-3:P-3:H-1:H-1:	C-4:C-4:C-4:P-3:	P(CHHP)(CC3)2	C(PC[6a]2)(PCC)(H)2	C(CH3)3(PCC)	P(CHHP)(CC3)2	C(PC[6a]2)(PCC)(H)2	C(CH3)3(PCC)	101.3965	0.774	2	101.3965	0.600	2	101.0325	1.337	4	101.3172	2.332	42	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:3:2:3:	4:4:4:3:	C-4:C-4:C-4:	C[6a]-3:C[6a]-3:O-2:P-3:	C-4:C-4:C-4:P-3:	P(CC[6a]2O)(CC3)2	C(C[6a]C[6a]2)2(OB[5])(PCC)	C(CH3)3(PCC)	P(CC[6a]2O)(CC3)2	C(C[6a]C[6a]2)2(OB[5])(PCC)	C(CH3)3(PCC)	106.9350	2.441	2	106.9350	5.958	2	106.9350	5.958	2	106.9350	5.958	2	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:3:3:1:	4:4:3:1:	C-4:C-4:C-4:	C[6a]-3:P-3:P-3:H-1:	C-4:C-4:P-3:H-1:	P(CC[6a]HP)(CCCH)2	C(C[6a]C[6a]N[6a])(PCC)2(H)	C(CH3)2(PCC)(H)	P(CC[6a]HP)(CCCH)2	C(C[6a]C[6a]N[6a])(PCC)2(H)	C(CH3)2(PCC)(H)	102.5747	2.408	4	102.5747	5.796	4	102.5747	5.796	4	102.5747	5.796	4	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:3:3:3:	4:3:1:1:	C-4:C-4:C-4:	N[5a]-3:N[5a]-3:N[5a]-3:P-3:	C-4:P-3:H-1:H-1:	P(CN[5a]3)(CCHH)2	C(N[5a]C[5a]N[5a])3(PCC)	C(CCHH)(PCC)(H)2	P(CN[5a]3)(CCHH)2	C(N[5a]C[5a]N[5a])3(PCC)	C(CCHH)(PCC)(H)2	99.7972	1.048	2	99.7972	1.098	2	99.7972	1.098	2	99.7972	1.098	2	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:3:3:3:	4:4:3:1:	C-4:C-4:C-4:	N[5a]-3:N[5a]-3:N[5a]-3:P-3:	C-4:C-4:P-3:H-1:	P(CN[5a]3)(CCCH)2	C(N[5a]C[5a]N[5a])3(PCC)	C(CH3)2(PCC)(H)	P(CN[5a]3)(CCCH)2	C(N[5a]C[5a]N[5a])3(PCC)	C(CH3)2(PCC)(H)	101.2786	1.816	2	101.2786	3.299	2	101.2786	3.299	2	101.2786	3.299	2	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:4:1:1:	3:3:1:1:	C[6]-4:C-4:C-4:	P-3:C-4:H-1:H-1:	P-3:N-3:H-1:H-1:	P(C[6]C[6]2H)(CCHH)(CHHN)	C(PC[6]C)(CCHH)(H)2	C(PC[6]C)(NCC)(H)2	P(C[6]C[6]2H)(CCHH)(CHHN)	C(PC[6]C)(CCHH)(H)2	C(PC[6]C)(NCC)(H)2	103.0050	0.000	1	103.0050	0.000	1	103.0050	0.000	1	103.0050	0.000	1	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:4:1:1:	3:4:1:1:	C[5]-4:C-4:C-4:	P-3:C-4:H-1:H-1:	P-3:C-4:H-1:H-1:	P(C[5]C[5]2Co)(CCHH)2	C(PC[5]C)(CCCH)(H)2	C(PC[5]C)(CCCH)(H)2	P(C[5]C[5]2Co)(CCHH)2	C(PC[5]C)(CCCH)(H)2	C(PC[5]C)(CCCH)(H)2	99.4341	0.557	2	99.4341	0.311	2	99.4341	0.311	2	99.4341	0.311	2	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:4:3:1:	4:4:3:1:	C-4:C-4:C-4:	C[6]-3:P-4:P-3:H-1:	C-4:C-4:P-3:H-1:	P(CC[6]HP)(CCCH)2	C(C[6]C[6]N[6])(PCoCC)(PCC)(H)	C(CH3)2(PCC)(H)	P(CC[6]HP)(CCCH)2	C(C[6]C[6]N[6])(PCoCC)(PCC)(H)	C(CH3)2(PCC)(H)	102.9300	0.615	2	102.9300	0.378	2	102.9875	0.221	4	102.9875	0.221	4	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:4:3:1:	4:4:3:1:	C-4:C-4:C-4:	C[6]-3:P-4:P-3:H-1:	C-4:C-4:P-3:H-1:	P(CC[6]HP)(CCCH)2	C(C[6]C[6]N[6])(PFeCC)(PCC)(H)	C(CH3)2(PCC)(H)	P(CC[6]HP)(CCCH)2	C(C[6]C[6]N[6])(PFeCC)(PCC)(H)	C(CH3)2(PCC)(H)	103.0450	0.520	2	103.0450	0.271	2	102.9875	0.221	4	102.9875	0.221	4	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:4:4:1:	3:4:4:1:	C[5]-4:C-4:C-4:	P-3:C-4:C-4:H-1:	P-3:C-4:C-4:H-1:	P(C[5]C[5,6]C[5]Ru)(CCCH)2	C(PC[5]C)(CH3)2(H)	C(PC[5]C)(CH3)2(H)	P(C[5]C[5,6]C[5]Ru)(CCCH)2	C(PC[5]C)(CH3)2(H)	C(PC[5]C)(CH3)2(H)	104.0600	0.000	1	104.0600	0.000	1	102.9411	1.417	8	103.2841	1.626	10	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:4:4:1:	3:4:4:1:	C[5]-4:C-4:C-4:	P-3:C-4:C-4:H-1:	P-3:C-4:C-4:H-1:	P(C[5]C[5]2Fe)(CCCH)2	C(PC[5]C)(CH3)2(H)	C(PC[5]C)(CH3)2(H)	P(C[5]C[5]2Fe)(CCCH)2	C(PC[5]C)(CH3)2(H)	C(PC[5]C)(CH3)2(H)	102.8132	1.667	4	102.8132	2.778	4	102.9411	1.417	8	103.2841	1.626	10	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:4:4:1:	3:4:4:1:	C[5]-4:C-4:C-4:	P-3:C-4:C-4:H-1:	P-3:C-4:C-4:H-1:	P(C[5]C[5]2Zr)(CCCH)2	C(PC[5]C)(CH3)2(H)	C(PC[5]C)(CH3)2(H)	P(C[5]C[5]2Zr)(CCCH)2	C(PC[5]C)(CH3)2(H)	C(PC[5]C)(CH3)2(H)	102.7387	0.273	3	102.7387	0.074	3	102.9411	1.417	8	103.2841	1.626	10	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:4:4:1:	3:4:4:1:	P[5]-4:C-4:C-4:	P-3:C-4:C-4:H-1:	P-3:C-4:C-4:H-1:	P(P[5]Ga[5,6]P[5]Co)(CCCH)2	C(PP[5]C)(CH3)2(H)	C(PP[5]C)(CH3)2(H)	P(P[5]Ga[5,6]P[5]Co)(CCCH)2	C(PP[5]C)(CH3)2(H)	C(PP[5]C)(CH3)2(H)	104.6560	0.064	2	104.6560	0.004	2	104.6560	0.004	2	103.2841	1.626	10	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:4:4:4:	3:4:4:4:	C[5]-4:C-4:C-4:	P-3:C-4:C-4:C-4:	P-3:C-4:C-4:C-4:	P(C[5]C[5]2Co)(CC3)2	C(PC[5]C)(CH3)3	C(PC[5]C)(CH3)3	P(C[5]C[5]2Co)(CC3)2	C(PC[5]C)(CH3)3	C(PC[5]C)(CH3)3	111.5830	0.000	1	111.5830	0.000	1	109.1268	1.731	6	109.6736	2.196	9	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:4:4:4:	3:4:4:4:	C[5]-4:C-4:C-4:	P-3:C-4:C-4:C-4:	P-3:C-4:C-4:C-4:	P(C[5]C[5]2Fe)(CC3)2	C(PC[5]C)(CH3)3	C(PC[5]C)(CH3)3	P(C[5]C[5]2Fe)(CC3)2	C(PC[5]C)(CH3)3	C(PC[5]C)(CH3)3	108.2800	0.186	3	108.2800	0.034	3	109.1268	1.731	6	109.6736	2.196	9	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:4:4:4:	3:4:4:4:	C[5]-4:C-4:C-4:	P-3:C-4:C-4:C-4:	P-3:C-4:C-4:C-4:	P(C[5]C[5]2Re)(CC3)2	C(PC[5]C)(CH3)3	C(PC[5]C)(CH3)3	P(C[5]C[5]2Re)(CC3)2	C(PC[5]C)(CH3)3	C(PC[5]C)(CH3)3	108.7230	0.000	1	108.7230	0.000	1	109.1268	1.731	6	109.6736	2.196	9	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:4:4:4:	3:4:4:4:	C[5]-4:C-4:C-4:	P-3:C-4:C-4:C-4:	P-3:C-4:C-4:C-4:	P(C[5]C[5]2Zr)(CC3)2	C(PC[5]C)(CH3)3	C(PC[5]C)(CH3)3	P(C[5]C[5]2Zr)(CC3)2	C(PC[5]C)(CH3)3	C(PC[5]C)(CH3)3	109.6150	0.000	1	109.6150	0.000	1	109.1268	1.731	6	109.6736	2.196	9	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:4:4:4:	3:4:4:4:	Ga[4]-4:C-4:C-4:	P-3:C-4:C-4:C-4:	P-3:C-4:C-4:C-4:	P(Ga[4]Ga[4]2P)(CC3)2	C(PGa[4]C)(CH3)3	C(PGa[4]C)(CH3)3	P(Ga[4]Ga[4]2P)(CC3)2	C(PGa[4]C)(CH3)3	C(PGa[4]C)(CH3)3	110.3265	1.539	2	110.3265	2.370	2	110.3265	2.370	2	109.6736	2.196	9	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	3:4:4:4:	3:4:4:4:	Ge[4]-4:C-4:C-4:	P-3:C-4:C-4:C-4:	P-3:C-4:C-4:C-4:	P(Ge[4]N[4]2Cl)(CC3)2	C(PGe[4]C)(CH3)3	C(PGe[4]C)(CH3)3	P(Ge[4]N[4]2Cl)(CC3)2	C(PGe[4]C)(CH3)3	C(PGe[4]C)(CH3)3	111.6480	0.000	1	111.6480	0.000	1	111.6480	0.000	1	109.6736	2.196	9	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:3:1:1:	3:1:1:1:	C-4:C-4:C-4:	C-4:P-3:H-1:H-1:	P-3:H-1:H-1:H-1:	P(CCHH)(CH3)2	C(CHHP)(PCC)(H)2	C(PCC)(H)3	P(CCHH)(CH3)2	C(CHHP)(PCC)(H)2	C(PCC)(H)3	99.3092	4.733	10	99.3092	22.405	10	99.3092	22.405	10	99.3679	16.981	14	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:3:1:1:	3:1:1:1:	C-4:C-4:C-4:	P-4:P-3:H-1:H-1:	P-3:H-1:H-1:H-1:	P(CHHP)(CH3)2	C(PCCP)(PCC)(H)2	C(PCC)(H)3	P(CHHP)(CH3)2	C(PCCP)(PCC)(H)2	C(PCC)(H)3	99.5487	4.342	2	99.5487	18.853	2	99.5148	6.327	4	99.3679	16.981	14	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:3:1:1:	3:1:1:1:	C-4:C-4:C-4:	P-4:P-3:H-1:H-1:	P-3:H-1:H-1:H-1:	P(CHHP)(CH3)2	C(PSiCC)(PCC)(H)2	C(PCC)(H)3	P(CHHP)(CH3)2	C(PSiCC)(PCC)(H)2	C(PCC)(H)3	99.4809	0.353	2	99.4809	0.124	2	99.5148	6.327	4	99.3679	16.981	14	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:3:1:1:	3:2:1:1:	C-4:C-4:C-4:	C-4:P-3:H-1:H-1:	P-3:O-2:H-1:H-1:	P(CCHH)(CHHO)2	C(CHHP)(PCC)(H)2	C(PCC)(OH)(H)2	P(CCHH)(CHHO)2	C(CHHP)(PCC)(H)2	C(PCC)(OH)(H)2	99.8677	3.133	2	99.8677	9.815	2	99.8677	9.815	2	99.8677	9.815	2	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:3:1:1:	3:3:1:1:	C-4:C-4:C-4:	N-4:P-3:H-1:H-1:	N-3:P-3:H-1:H-1:	P(CHHN)3	C(NCCH)(PCC)(H)2	C(NCC)(PCC)(H)2	P(CHHN)3	C(NCCH)(PCC)(H)2	C(NCC)(PCC)(H)2	102.6666	2.887	4	102.6666	8.337	4	102.6666	8.337	4	102.6666	8.337	4	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:	C-4:P-3:F-1:F-1:	C-4:P-3:F-1:F-1:	P(CCFF)3	C(CF3)(PCC)(F)2	C(CF3)(PCC)(F)2	P(CCFF)3	C(CF3)(PCC)(F)2	C(CF3)(PCC)(F)2	99.2434	0.000	1	99.2434	0.000	1	99.2434	0.000	1	103.2690	14.064	60	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:	C-4:P-3:H-1:H-1:	C-4:P-3:H-1:H-1:	P(CCHH)3	C(CCHH)(PCC)(H)2	C(CCHH)(PCC)(H)2	P(CCHH)3	C(CCHH)(PCC)(H)2	C(CCHH)(PCC)(H)2	105.5855	3.220	18	105.5855	10.366	18	104.6965	19.079	28	103.2690	14.064	60	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:	C-4:P-3:H-1:H-1:	C-4:P-3:H-1:H-1:	P(CCHH)3	C(CC[5]HH)(PCC)(H)2	C(CC[5]HH)(PCC)(H)2	P(CCHH)3	C(CC[5]HH)(PCC)(H)2	C(CC[5]HH)(PCC)(H)2	99.6790	0.577	3	99.6790	0.333	3	104.6965	19.079	28	103.2690	14.064	60	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:	C-4:P-3:H-1:H-1:	C-4:P-3:H-1:H-1:	P(CCHH)3	C(CH3)(PCC)(H)2	C(CH3)(PCC)(H)2	P(CCHH)3	C(CH3)(PCC)(H)2	C(CH3)(PCC)(H)2	105.0499	6.904	6	105.0499	47.667	6	104.6965	19.079	28	103.2690	14.064	60	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:	C-4:P-3:H-1:H-1:	C-4:P-3:H-1:H-1:	P(CN[5a]3)(CCHH)2	C(CCHH)(PCC)(H)2	C(CCHH)(PCC)(H)2	P(CN[5a]3)(CCHH)2	C(CCHH)(PCC)(H)2	C(CCHH)(PCC)(H)2	101.6270	0.000	1	101.6270	0.000	1	104.6965	19.079	28	103.2690	14.064	60	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:	C-4:P-3:H-1:H-1:	N-4:P-3:H-1:H-1:	P(CCHH)(CHHN)2	C(CHHP)(PCC)(H)2	C(NCCH)(PCC)(H)2	P(CCHH)(CHHN)2	C(CHHP)(PCC)(H)2	C(NCCH)(PCC)(H)2	104.1985	0.476	2	104.1985	0.226	2	104.1985	0.226	2	103.2690	14.064	60	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:	N-4:P-3:H-1:H-1:	N-4:P-3:H-1:H-1:	P(CCHH)(CHHN)2	C(NCCH)(PCC)(H)2	C(NCCH)(PCC)(H)2	P(CCHH)(CHHN)2	C(NCCH)(PCC)(H)2	C(NCCH)(PCC)(H)2	102.5650	0.000	1	102.5650	0.000	1	101.9986	7.009	28	103.2690	14.064	60	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:	N-4:P-3:H-1:H-1:	N-4:P-3:H-1:H-1:	P(CHHN)3	C(NCCH)(PCC)(H)2	C(NCCH)(PCC)(H)2	P(CHHN)3	C(NCCH)(PCC)(H)2	C(NCCH)(PCC)(H)2	104.6224	0.697	8	104.6224	0.485	8	101.9986	7.009	28	103.2690	14.064	60	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:	N-4:P-3:H-1:H-1:	N-4:P-3:H-1:H-1:	P(CHHN)3	C(NCHH)(PCC)(H)2	C(NCHH)(PCC)(H)2	P(CHHN)3	C(NCHH)(PCC)(H)2	C(NCHH)(PCC)(H)2	99.9118	0.308	16	99.9118	0.095	16	101.9986	7.009	28	103.2690	14.064	60	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:3:1:1:	4:3:1:1:	C-4:C-4:C-4:	N-4:P-3:H-1:H-1:	N-4:P-3:H-1:H-1:	P(CHHN)3	C(NC[6a]Mg2)(PCC)(H)2	C(NC[6a]Mg2)(PCC)(H)2	P(CHHN)3	C(NC[6a]Mg2)(PCC)(H)2	C(NC[6a]Mg2)(PCC)(H)2	105.9427	2.519	3	105.9427	6.345	3	101.9986	7.009	28	103.2690	14.064	60	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:3:1:1:	4:3:1:1:	C[6]-4:C-4:C-4:	C[5]-4:P-3:H-1:H-1:	C[5]-4:P-3:H-1:H-1:	P(C[6]C[6]2H)(CC[5]HH)2	C(C[5]C[5]2Fe)(PC[6]C)(H)2	C(C[5]C[5]2Fe)(PC[6]C)(H)2	P(C[6]C[6]2H)(CC[5]HH)2	C(C[5]C[5]2Fe)(PC[6]C)(H)2	C(C[5]C[5]2Fe)(PC[6]C)(H)2	101.0330	0.000	1	101.0330	0.000	1	101.0330	0.000	1	103.2690	14.064	60	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:3:1:1:	4:4:3:1:	C-4:C-4:C-4:	B-4:P-3:H-1:H-1:	C-4:C-4:P-3:H-1:	P(CBHH)(CCCH)2	C(BC[6a]CC)(PCC)(H)2	C(CH3)2(PCC)(H)	P(CBHH)(CCCH)2	C(BC[6a]CC)(PCC)(H)2	C(CH3)2(PCC)(H)	106.8072	2.378	14	106.8072	5.657	14	106.8072	5.657	14	103.0478	8.199	52	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:3:1:1:	4:4:3:1:	C-4:C-4:C-4:	C-4:P-3:H-1:H-1:	C-4:C-4:P-3:H-1:	P(CCCH)2(CCHH)	C(CHHN)(PCC)(H)2	C(CH3)2(PCC)(H)	P(CCCH)2(CCHH)	C(CHHN)(PCC)(H)2	C(CH3)2(PCC)(H)	101.7660	1.463	26	101.7660	2.139	26	101.7884	1.979	34	103.0478	8.199	52	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:3:1:1:	4:4:3:1:	C-4:C-4:C-4:	C-4:P-3:H-1:H-1:	C-4:C-4:P-3:H-1:	P(CCCH)2(CCHH)	C(CHHP)(PCC)(H)2	C(CH3)2(PCC)(H)	P(CCCH)2(CCHH)	C(CHHP)(PCC)(H)2	C(CH3)2(PCC)(H)	101.8612	1.297	8	101.8612	1.681	8	101.7884	1.979	34	103.0478	8.199	52	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:3:1:1:	4:4:3:1:	C-4:C-4:C-4:	C[3x6]-4:P-3:H-1:H-1:	C-4:C-4:P-3:H-1:	P(CC[3x6]HH)(CCCH)2	C(C[3x6]C[6,6]3)(PCC)(H)2	C(CH3)2(PCC)(H)	P(CC[3x6]HH)(CCCH)2	C(C[3x6]C[6,6]3)(PCC)(H)2	C(CH3)2(PCC)(H)	101.3595	0.790	2	101.3595	0.624	2	101.3595	0.624	2	103.0478	8.199	52	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:3:1:1:	4:4:3:1:	C-4:C-4:C-4:	P-4:P-3:H-1:H-1:	C-4:C-4:P-3:H-1:	P(CCCH)2(CHHP)	C(PC[6a]2B)(PCC)(H)2	C(CH3)2(PCC)(H)	P(CCCH)2(CHHP)	C(PC[6a]2B)(PCC)(H)2	C(CH3)2(PCC)(H)	99.8300	0.683	2	99.8300	0.466	2	99.8300	0.466	2	103.0478	8.199	52	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:3:1:1:	4:4:4:3:	C-4:C-4:C-4:	B-4:P-3:H-1:H-1:	C-4:C-4:C-4:P-3:	P(CBHH)(CC3)2	C(BC[6a]2C)(PCC)(H)2	C(CH3)3(PCC)	P(CBHH)(CC3)2	C(BC[6a]2C)(PCC)(H)2	C(CH3)3(PCC)	106.7476	3.194	8	106.7476	10.202	8	106.7476	10.202	8	104.6093	13.857	59	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:3:1:1:	4:4:4:3:	C-4:C-4:C-4:	C-4:P-3:H-1:H-1:	C-4:C-4:C-4:P-3:	P(CCHH)(CC3)2	C(CCCO)(PCC)(H)2	C(CH3)3(PCC)	P(CCHH)(CC3)2	C(CCCO)(PCC)(H)2	C(CH3)3(PCC)	107.4446	3.999	18	107.4446	15.993	18	104.2739	13.799	51	104.6093	13.857	59	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:3:1:1:	4:4:4:3:	C-4:C-4:C-4:	C-4:P-3:H-1:H-1:	C-4:C-4:C-4:P-3:	P(CCHH)(CC3)2	C(CCHH)(PCC)(H)2	C(CH3)3(PCC)	P(CCHH)(CC3)2	C(CCHH)(PCC)(H)2	C(CH3)3(PCC)	109.9675	0.443	2	109.9675	0.197	2	104.2739	13.799	51	104.6093	13.857	59	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:3:1:1:	4:4:4:3:	C-4:C-4:C-4:	C-4:P-3:H-1:H-1:	C-4:C-4:C-4:P-3:	P(CCHH)(CC3)2	C(CHHP)(PCC)(H)2	C(CH3)3(PCC)	P(CCHH)(CC3)2	C(CHHP)(PCC)(H)2	C(CH3)3(PCC)	102.1731	0.815	27	102.1731	0.664	27	104.2739	13.799	51	104.6093	13.857	59	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:3:1:1:	4:4:4:3:	C-4:C-4:C-4:	C-4:P-3:H-1:H-1:	C-4:C-4:C-4:P-3:	P(CCHH)(CC3)2	C(CN[5a]HH)(PCC)(H)2	C(CH3)3(PCC)	P(CCHH)(CC3)2	C(CN[5a]HH)(PCC)(H)2	C(CH3)3(PCC)	101.3395	0.638	4	101.3395	0.407	4	104.2739	13.799	51	104.6093	13.857	59	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:3:3:3:	4:3:1:1:	C-4:C-4:C-4:	C-4:C-3:C-3:P-3:	C-4:P-3:H-1:H-1:	P(CCHH)(CC3)2	C(CH3)(CHH)2(PCC)	C(CHHP)(PCC)(H)2	P(CCHH)(CC3)2	C(CH3)(CHH)2(PCC)	C(CHHP)(PCC)(H)2	100.7560	0.000	1	100.7560	0.000	1	100.7560	0.000	1	100.7560	0.000	1	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:3:3:3:	4:4:4:3:	C-4:C-4:C-4:	C-4:C-3:C-3:P-3:	C-4:C-4:C-4:P-3:	P(CCHH)(CC3)2	C(CH3)(CHH)2(PCC)	C(CH3)3(PCC)	P(CCHH)(CC3)2	C(CH3)(CHH)2(PCC)	C(CH3)3(PCC)	108.1150	0.000	1	108.1150	0.000	1	108.1150	0.000	1	108.1150	0.000	1	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:3:4:1:	4:3:4:1:	C[6]-4:C-4:C-4:	C[5]-4:P-3:C-4:H-1:	C[5]-4:P-3:C-4:H-1:	P(C[6]C[6]2H)(CC[5]CH)2	C(C[5]C[5]2Fe)(PC[6]C)(CH3)(H)	C(C[5]C[5]2Fe)(PC[6]C)(CH3)(H)	P(C[6]C[6]2H)(CC[5]CH)2	C(C[5]C[5]2Fe)(PC[6]C)(CH3)(H)	C(C[5]C[5]2Fe)(PC[6]C)(CH3)(H)	103.2470	0.000	1	103.2470	0.000	1	103.2470	0.000	1	103.2470	0.000	1	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:4:3:1:	4:4:3:1:	C-4:C-4:C-4:	C-4:C-4:P-3:H-1:	C-4:C-4:P-3:H-1:	P(CBHH)(CCCH)2	C(CH3)2(PCC)(H)	C(CH3)2(PCC)(H)	P(CBHH)(CCCH)2	C(CH3)2(PCC)(H)	C(CH3)2(PCC)(H)	104.7507	3.888	7	104.7507	15.117	7	103.6224	7.476	79	103.6224	7.476	79	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:4:3:1:	4:4:3:1:	C-4:C-4:C-4:	C-4:C-4:P-3:H-1:	C-4:C-4:P-3:H-1:	P(CCCH)2(CCHH)	C(CH3)2(PCC)(H)	C(CH3)2(PCC)(H)	P(CCCH)2(CCHH)	C(CH3)2(PCC)(H)	C(CH3)2(PCC)(H)	102.4061	1.362	17	102.4061	1.854	17	103.6224	7.476	79	103.6224	7.476	79	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:4:3:1:	4:4:3:1:	C-4:C-4:C-4:	C-4:C-4:P-3:H-1:	C-4:C-4:P-3:H-1:	P(CCCH)2(CHHN)	C(CH3)2(PCC)(H)	C(CH3)2(PCC)(H)	P(CCCH)2(CHHN)	C(CH3)2(PCC)(H)	C(CH3)2(PCC)(H)	104.8030	0.392	2	104.8030	0.153	2	103.6224	7.476	79	103.6224	7.476	79	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:4:3:1:	4:4:3:1:	C-4:C-4:C-4:	C-4:C-4:P-3:H-1:	C-4:C-4:P-3:H-1:	P(CCCH)2(CHHP)	C(CH3)2(PCC)(H)	C(CH3)2(PCC)(H)	P(CCCH)2(CHHP)	C(CH3)2(PCC)(H)	C(CH3)2(PCC)(H)	100.3950	0.000	1	100.3950	0.000	1	103.6224	7.476	79	103.6224	7.476	79	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:4:3:1:	4:4:3:1:	C-4:C-4:C-4:	C-4:C-4:P-3:H-1:	C-4:C-4:P-3:H-1:	P(CCCH)3	C(CH3)2(PCC)(H)	C(CH3)2(PCC)(H)	P(CCCH)3	C(CH3)2(PCC)(H)	C(CH3)2(PCC)(H)	103.9895	3.085	39	103.9895	9.516	39	103.6224	7.476	79	103.6224	7.476	79	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:4:3:1:	4:4:3:1:	C-4:C-4:C-4:	C-4:C-4:P-3:H-1:	C-4:C-4:P-3:H-1:	P(CC[3x6]HH)(CCCH)2	C(CH3)2(PCC)(H)	C(CH3)2(PCC)(H)	P(CC[3x6]HH)(CCCH)2	C(CH3)2(PCC)(H)	C(CH3)2(PCC)(H)	101.0180	0.000	1	101.0180	0.000	1	103.6224	7.476	79	103.6224	7.476	79	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:4:3:1:	4:4:3:1:	C-4:C-4:C-4:	C-4:C-4:P-3:H-1:	C-4:C-4:P-3:H-1:	P(CC[5]HH)(CCCH)2	C(CH3)2(PCC)(H)	C(CH3)2(PCC)(H)	P(CC[5]HH)(CCCH)2	C(CH3)2(PCC)(H)	C(CH3)2(PCC)(H)	102.2245	1.356	2	102.2245	1.837	2	103.6224	7.476	79	103.6224	7.476	79	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:4:3:1:	4:4:3:1:	C-4:C-4:C-4:	C-4:C-4:P-3:H-1:	C-4:C-4:P-3:H-1:	P(CC[5a]HH)(CCCH)2	C(CH3)2(PCC)(H)	C(CH3)2(PCC)(H)	P(CC[5a]HH)(CCCH)2	C(CH3)2(PCC)(H)	C(CH3)2(PCC)(H)	106.7475	2.624	2	106.7475	6.886	2	103.6224	7.476	79	103.6224	7.476	79	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:4:3:1:	4:4:3:1:	C-4:C-4:C-4:	C-4:C-4:P-3:H-1:	C-4:C-4:P-3:H-1:	P(CC[6]HP)(CCCH)2	C(CH3)2(PCC)(H)	C(CH3)2(PCC)(H)	P(CC[6]HP)(CCCH)2	C(CH3)2(PCC)(H)	C(CH3)2(PCC)(H)	104.4060	0.045	2	104.4060	0.002	2	103.6224	7.476	79	103.6224	7.476	79	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:4:3:1:	4:4:3:1:	C-4:C-4:C-4:	C-4:C-4:P-3:H-1:	C-4:C-4:P-3:H-1:	P(CC[6a]HH)(CCCH)2	C(CH3)2(PCC)(H)	C(CH3)2(PCC)(H)	P(CC[6a]HH)(CCCH)2	C(CH3)2(PCC)(H)	C(CH3)2(PCC)(H)	104.0070	0.000	1	104.0070	0.000	1	103.6224	7.476	79	103.6224	7.476	79	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:4:3:1:	4:4:3:1:	C-4:C-4:C-4:	C-4:C-4:P-3:H-1:	C-4:C-4:P-3:H-1:	P(CC[6a]HP)(CCCH)2	C(CH3)2(PCC)(H)	C(CH3)2(PCC)(H)	P(CC[6a]HP)(CCCH)2	C(CH3)2(PCC)(H)	C(CH3)2(PCC)(H)	102.9795	2.344	2	102.9795	5.495	2	103.6224	7.476	79	103.6224	7.476	79	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:4:3:1:	4:4:3:1:	C-4:C-4:C-4:	C-4:C-4:P-3:H-1:	C-4:C-4:P-3:H-1:	P(CN[5a]3)(CCCH)2	C(CH3)2(PCC)(H)	C(CH3)2(PCC)(H)	P(CN[5a]3)(CCCH)2	C(CH3)2(PCC)(H)	C(CH3)2(PCC)(H)	102.8610	0.000	1	102.8610	0.000	1	103.6224	7.476	79	103.6224	7.476	79	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:4:3:1:	4:4:3:1:	C-4:C-4:C-4:	C-4:C-4:P-3:H-1:	C-4:C-4:P-3:H-1:	P(CN[5a]HH)(CCCH)2	C(CH3)2(PCC)(H)	C(CH3)2(PCC)(H)	P(CN[5a]HH)(CCCH)2	C(CH3)2(PCC)(H)	C(CH3)2(PCC)(H)	102.9100	0.495	2	102.9100	0.245	2	103.6224	7.476	79	103.6224	7.476	79	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:4:4:3:	3:1:1:1:	C-4:C-4:C-4:	C-4:C-4:C-4:P-3:	P-3:H-1:H-1:H-1:	P(CC3)2(CH3)	C(CH3)3(PCC)	C(PCC)(H)3	P(CC3)2(CH3)	C(CH3)3(PCC)	C(PCC)(H)3	101.7007	0.780	12	101.7007	0.608	12	101.7007	0.608	12	101.7007	0.608	12	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:4:4:3:	4:4:4:3:	B-4:C-4:C-4:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(BC[5]CC)(CC3)2	C(CH3)3(PBC)	C(CH3)3(PBC)	P(BC[5]CC)(CC3)2	C(CH3)3(PBC)	C(CH3)3(PBC)	109.2240	0.000	1	109.2240	0.000	1	109.2240	0.000	1	111.4384	5.955	80	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:4:4:3:	4:4:4:3:	C-4:C-4:C-4:	B-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(CC[6a]HH)(CBCC)(CC3)	C(BH3)(CH3)2(PCC)	C(CH3)3(PCC)	P(CC[6a]HH)(CBCC)(CC3)	C(BH3)(CH3)2(PCC)	C(CH3)3(PCC)	111.9310	0.000	1	111.9310	0.000	1	111.9310	0.000	1	111.4384	5.955	80	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:4:4:3:	4:4:4:3:	C-4:C-4:C-4:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(CBHH)(CC3)2	C(CH3)3(PCC)	C(CH3)3(PCC)	P(CBHH)(CC3)2	C(CH3)3(PCC)	C(CH3)3(PCC)	109.2618	0.325	4	109.2618	0.106	4	111.4605	6.042	78	111.4384	5.955	80	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:4:4:3:	4:4:4:3:	C-4:C-4:C-4:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(CC3)2(CH3)	C(CH3)3(PCC)	C(CH3)3(PCC)	P(CC3)2(CH3)	C(CH3)3(PCC)	C(CH3)3(PCC)	111.1396	0.514	7	111.1396	0.265	7	111.4605	6.042	78	111.4384	5.955	80	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:4:4:3:	4:4:4:3:	C-4:C-4:C-4:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(CC3)3	C(CH3)3(PCC)	C(CH3)3(PCC)	P(CC3)3	C(CH3)3(PCC)	C(CH3)3(PCC)	112.4443	2.957	21	112.4443	8.744	21	111.4605	6.042	78	111.4384	5.955	80	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:4:4:3:	4:4:4:3:	C-4:C-4:C-4:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(CCHH)(CC3)2	C(CH3)3(PCC)	C(CH3)3(PCC)	P(CCHH)(CC3)2	C(CH3)3(PCC)	C(CH3)3(PCC)	111.9568	2.914	25	111.9568	8.489	25	111.4605	6.042	78	111.4384	5.955	80	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:4:4:3:	4:4:4:3:	C-4:C-4:C-4:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(CC[5]HH)(CC3)2	C(CH3)3(PCC)	C(CH3)3(PCC)	P(CC[5]HH)(CC3)2	C(CH3)3(PCC)	C(CH3)3(PCC)	110.1090	0.000	1	110.1090	0.000	1	111.4605	6.042	78	111.4384	5.955	80	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:4:4:3:	4:4:4:3:	C-4:C-4:C-4:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(CC[5a]HH)(CC3)2	C(CH3)3(PCC)	C(CH3)3(PCC)	P(CC[5a]HH)(CC3)2	C(CH3)3(PCC)	C(CH3)3(PCC)	109.9478	0.348	5	109.9478	0.121	5	111.4605	6.042	78	111.4384	5.955	80	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:4:4:3:	4:4:4:3:	C-4:C-4:C-4:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(CC[6]HH)(CC3)2	C(CH3)3(PCC)	C(CH3)3(PCC)	P(CC[6]HH)(CC3)2	C(CH3)3(PCC)	C(CH3)3(PCC)	110.3967	1.020	4	110.3967	1.041	4	111.4605	6.042	78	111.4384	5.955	80	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:4:4:3:	4:4:4:3:	C-4:C-4:C-4:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(CC[6a]2O)(CC3)2	C(CH3)3(PCC)	C(CH3)3(PCC)	P(CC[6a]2O)(CC3)2	C(CH3)3(PCC)	C(CH3)3(PCC)	108.7860	0.000	1	108.7860	0.000	1	111.4605	6.042	78	111.4384	5.955	80	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:4:4:3:	4:4:4:3:	C-4:C-4:C-4:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(CC[6a]HH)(CC3)2	C(CH3)3(PCC)	C(CH3)3(PCC)	P(CC[6a]HH)(CC3)2	C(CH3)3(PCC)	C(CH3)3(PCC)	110.3470	0.200	5	110.3470	0.040	5	111.4605	6.042	78	111.4384	5.955	80	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:4:4:3:	4:4:4:3:	C-4:C-4:C-4:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(CHHN)(CC3)2	C(CH3)3(PCC)	C(CH3)3(PCC)	P(CHHN)(CC3)2	C(CH3)3(PCC)	C(CH3)3(PCC)	112.1720	0.553	2	112.1720	0.306	2	111.4605	6.042	78	111.4384	5.955	80	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:4:4:3:	4:4:4:3:	C-4:C-4:C-4:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(CHHP)(CC3)2	C(CH3)3(PCC)	C(CH3)3(PCC)	P(CHHP)(CC3)2	C(CH3)3(PCC)	C(CH3)3(PCC)	110.6365	0.658	2	110.6365	0.433	2	111.4605	6.042	78	111.4384	5.955	80	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	4:4:4:	4:4:4:3:	4:4:4:3:	C-4:C-4:C-4:	C-4:C-4:C-4:P-3:	C-4:C-4:C-4:P-3:	P(CN[5]HH)(CC3)2	C(CH3)3(PCC)	C(CH3)3(PCC)	P(CN[5]HH)(CC3)2	C(CH3)3(PCC)	C(CH3)3(PCC)	111.0700	0.000	1	111.0700	0.000	1	111.4605	6.042	78	111.4384	5.955	80	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	5:4:4:	3:4:4:1:	3:4:4:1:	C[3x3,4,3x5,14x6]-5:C-4:C-4:	P-3:C-4:C-4:H-1:	P-3:C-4:C-4:H-1:	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCCH)2	C(PC[3x3,4,3x5,14x6]C)(CH3)2(H)	C(PC[3x3,4,3x5,14x6]C)(CH3)2(H)	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CCCH)2	C(PC[3x3,4,3x5,14x6]C)(CH3)2(H)	C(PC[3x3,4,3x5,14x6]C)(CH3)2(H)	105.7653	2.535	4	105.7653	6.428	4	105.7653	6.428	4	105.7653	6.428	4	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	5:4:4:	3:4:4:4:	3:4:4:4:	C[3x3,4,3x5,14x6]-5:C-4:C-4:	P-3:C-4:C-4:C-4:	P-3:C-4:C-4:C-4:	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CC3)2	C(PC[3x3,4,3x5,14x6]C)(CH3)3	C(PC[3x3,4,3x5,14x6]C)(CH3)3	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(CC3)2	C(PC[3x3,4,3x5,14x6]C)(CH3)3	C(PC[3x3,4,3x5,14x6]C)(CH3)3	109.2590	0.000	1	109.2590	0.000	1	109.2590	0.000	1	109.2590	0.000	1	104.4535	22.037	804	104.4535	22.037	804
945	490	490	0:SP3_SP3_SP3	P	C	C	5:4:4:	4:4:3:1:	4:4:3:1:	C-5:C-4:C-4:	C-4:C-4:P-3:H-1:	C-4:C-4:P-3:H-1:	P(CHHNU)(CCCH)2	C(CH3)2(PCC)(H)	C(CH3)2(PCC)(H)	P(CHHNU)(CCCH)2	C(CH3)2(PCC)(H)	C(CH3)2(PCC)(H)	104.9450	1.003	3	104.9450	1.007	3	104.9450	1.007	3	104.9450	1.007	3	104.4535	22.037	804	104.4535	22.037	804
945	490	542	0:SP3_SP2_SP3	P	C	N[5]	3:4:4:	3:4:4:4:	2:2:3:	N[5]-3:C-4:C-4:	P-3:C-4:C-4:C-4:	C[5]-2:N[5]-2:P-3:	P(N[5]C[5]N[5])(CC3)2	C(PN[5]C)(CH3)3	N[5](C[5]N[5])(N[5]C[5])(PCC)	P(N[5]C[5]N[5])(CC3)2	C(PN[5]C)(CH3)3	N[5](C[5]N[5])(N[5]C[5])(PCC){1|C<3>,1|C<4>}	101.6615	1.268	2	101.6615	1.607	2	101.6615	1.607	2	101.6615	1.607	2	102.1790	1.323	34	102.1790	1.323	34
945	490	542	0:SP3_SP2_SP3	P	C	N[5]	3:4:4:	3:4:4:4:	3:2:3:	N[5]-3:C-4:C-4:	P-3:C-4:C-4:C-4:	C[5]-3:C[5]-2:P-3:	P(N[5]C[5]2)(CC3)2	C(PN[5]C)(CH3)3	N[5](C[5]C[5]H)(C[5]N[5])(PCC)	P(N[5]C[5]2)(CC3)2	C(PN[5]C)(CH3)3	N[5](C[5]C[5]H)(C[5]N[5])(PCC){1|H<1>,1|P<3>}	102.3675	1.023	4	102.3675	1.048	4	102.3675	1.048	4	102.3675	1.048	4	102.1790	1.323	34	102.1790	1.323	34
945	490	542	0:SP3_SP2_SP3	P	C	N[5]	3:4:4:	3:4:4:4:	3:3:3:	N[5]-3:C-4:C-4:	P-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:P-3:	P(N[5]C[5]2)(CC3)2	C(PN[5]C)(CH3)3	N[5](C[5]C[5]H)(C[5]N[5]B)(PCC)	P(N[5]C[5]2)(CC3)2	C(PN[5]C)(CH3)3	N[5](C[5]C[5]H)(C[5]N[5]B)(PCC){1|H<1>,1|P<3>}	102.0688	1.120	4	102.0688	1.254	4	102.1891	1.416	28	102.1891	1.416	28	102.1790	1.323	34	102.1790	1.323	34
945	490	542	0:SP3_SP2_SP3	P	C	N[5]	3:4:4:	3:4:4:4:	3:3:3:	N[5]-3:C-4:C-4:	P-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:P-3:	P(N[5]C[5]2)(CC3)2	C(PN[5]C)(CH3)3	N[5](C[5]C[5]H)(C[5]N[5]H)(PCC)	P(N[5]C[5]2)(CC3)2	C(PN[5]C)(CH3)3	N[5](C[5]C[5]H)(C[5]N[5]H)(PCC){1|C<4>,1|H<1>}	101.4860	0.652	2	101.4860	0.425	2	102.1891	1.416	28	102.1891	1.416	28	102.1790	1.323	34	102.1790	1.323	34
945	490	542	0:SP3_SP2_SP3	P	C	N[5]	3:4:4:	3:4:4:4:	3:3:3:	N[5]-3:C-4:C-4:	P-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:P-3:	P(N[5]C[5]2)(CC3)2	C(PN[5]C)(CH3)3	N[5](C[5]N[5]Co)(C[5]C[5]H)(PCC)	P(N[5]C[5]2)(CC3)2	C(PN[5]C)(CH3)3	N[5](C[5]N[5]Co)(C[5]C[5]H)(PCC){1|H<1>,1|P<3>}	102.2684	1.873	8	102.2684	3.508	8	102.1891	1.416	28	102.1891	1.416	28	102.1790	1.323	34	102.1790	1.323	34
945	490	542	0:SP3_SP2_SP3	P	C	N[5]	3:4:4:	3:4:4:4:	3:3:3:	N[5]-3:C-4:C-4:	P-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:P-3:	P(N[5]C[5]2)(CC3)2	C(PN[5]C)(CH3)3	N[5](C[5]N[5]Cr)(C[5]C[5]H)(PCC)	P(N[5]C[5]2)(CC3)2	C(PN[5]C)(CH3)3	N[5](C[5]N[5]Cr)(C[5]C[5]H)(PCC){1|C<3>,1|H<1>}	102.4382	0.602	10	102.5138	0.332	12	102.1891	1.416	28	102.1891	1.416	28	102.1790	1.323	34	102.1790	1.323	34
945	490	542	0:SP3_SP2_SP3	P	C	N[5]	3:4:4:	3:4:4:4:	3:3:3:	N[5]-3:C-4:C-4:	P-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:P-3:	P(N[5]C[5]2)(CC3)2	C(PN[5]C)(CH3)3	N[5](C[5]N[5]Cr)(C[5]C[5]H)(PCC)	P(N[5]C[5]2)(CC3)2	C(PN[5]C)(CH3)3	N[5](C[5]N[5]Cr)(C[5]C[5]H)(PCC){1|C<4>,1|H<1>}	102.8915	0.206	2	102.5138	0.332	12	102.1891	1.416	28	102.1891	1.416	28	102.1790	1.323	34	102.1790	1.323	34
945	490	542	0:SP3_SP2_SP3	P	C	N[5]	3:4:4:	3:4:4:4:	3:3:3:	N[5]-3:C-4:C-4:	P-3:C-4:C-4:C-4:	C[5]-3:C[5]-3:P-3:	P(N[5]C[5]2)(CC3)2	C(PN[5]C)(CH3)3	N[5](C[5]N[5]Se)(C[5]C[5]H)(PCC)	P(N[5]C[5]2)(CC3)2	C(PN[5]C)(CH3)3	N[5](C[5]N[5]Se)(C[5]C[5]H)(PCC){1|H<1>,1|P<3>}	100.8675	0.030	2	100.8675	0.001	2	102.1891	1.416	28	102.1891	1.416	28	102.1790	1.323	34	102.1790	1.323	34
945	490	542	0:SP3_SP3_SP3	P	C	N[5]	3:4:4:	3:4:4:1:	4:4:3:	N[5]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	C[5]-4:C[5]-4:P-3:	P(N[5]C[5]2)(CCCH)2	C(PN[5]C)(CH3)2(H)	N[5](C[5]C[5]RuH)(C[5]C[5]HH)(PCC)	P(N[5]C[5]2)(CCCH)2	C(PN[5]C)(CH3)2(H)	N[5](C[5]C[5]RuH)(C[5]C[5]HH)(PCC){1|C<4>,1|H<1>,1|N<2>}	104.7740	1.382	2	104.7740	1.909	2	104.7740	1.909	2	104.7740	1.909	2	104.7740	1.909	2	104.7740	1.909	2
945	490	598	0:SP3_SP2_SP3	P	C	Si[4]	3:4:4:	3:4:4:1:	3:3:3:	Si[4]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	N[4]-3:N[4]-3:P-3:	P(Si[4]N[4]2)(CCCH)2	C(PSi[4]C)(CH3)2(H)	Si[4](N[4]C[4]C)2(PCC)	P(Si[4]N[4]2)(CCCH)2	C(PSi[4]C)(CH3)2(H)	Si[4](N[4]C[4]C)2(PCC){1|C<3>}	105.8560	6.363	2	105.8560	40.482	2	105.8560	40.482	2	105.8560	40.482	2	105.8560	40.482	2	105.8560	40.482	2
945	490	610	0:SP3_SP3_SP3	P	C	B	3:4:4:	3:4:4:1:	3:1:1:1:	C[6a]-3:C-4:B-4:	P-3:Si-4:Si-4:H-1:	P-3:H-1:H-1:H-1:	P(C[6a]C[6a]2)(CSi2H)(BH3)	C(PC[6a]B)(SiC3)2(H)	B(PC[6a]C)(H)3	P(C[6a]C[6a]2)(CSi2H)(BH3)	C(PC[6a]B)(SiC3)2(H)	B(PC[6a]C)(H)3	110.8820	0.451	2	110.8820	0.204	2	110.8820	0.204	2	110.8820	0.204	2	108.3600	8.767	4	108.3600	8.767	4
945	490	610	0:SP3_SP3_SP3	P	C	B	4:4:4:	4:4:4:3:	3:3:2:2:	B-4:C-4:C-4:	C-4:C-4:C-4:P-3:	C[5]-3:P-3:C-2:C-2:	P(BC[5]CC)(CC3)2	C(CH3)3(PBC)	B(C[5]N[5]2)(PCC)(CN)2	P(BC[5]CC)(CC3)2	C(CH3)3(PBC)	B(C[5]N[5]2)(PCC)(CN)2	105.8380	0.809	2	105.8380	0.654	2	105.8380	0.654	2	105.8380	0.654	2	108.3600	8.767	4	108.3600	8.767	4
945	490	618	0:SP3_SP2_SP3	P	C	B[6]	3:4:4:	3:4:4:4:	3:3:3:	B[6]-3:C-4:C-4:	P-3:C-4:C-4:C-4:	C[6]-3:C[6]-3:P-3:	P(B[6]C[6]2)(CC3)2	C(PB[6]C)(CH3)3	B[6](C[6]C[6]H)2(PCC)	P(B[6]C[6]2)(CC3)2	C(PB[6]C)(CH3)3	B[6](C[6]C[6]H)2(PCC){1|C<3>,2|H<1>}	105.8427	3.408	4	105.8427	11.613	4	105.8427	11.613	4	105.8427	11.613	4	105.8427	11.613	4	105.8427	11.613	4
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CH3)	C(PC[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(PC[6a]C)	P(C[6a]C[6a]2)2(CH3)	C(PC[6a]2)(H)3	C[6a](C[6a]C[6a]C)2(PC[6a]C){1|C<3>,2|H<1>}	105.0225	0.364	4	105.0225	0.133	4	104.7296	0.551	8	104.7296	0.551	8	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CH3)	C(PC[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CH3)	C(PC[6a]2)(H)3	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	104.4368	0.961	4	104.4368	0.924	4	104.7296	0.551	8	104.7296	0.551	8	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:2:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CHHO)	C(PC[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CHHO)	C(PC[6a]2)(OC[6a])(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	100.7869	1.610	6	100.7869	2.593	6	100.7869	2.593	6	100.7869	2.593	6	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CC[5]HH)	C(C[5]N[5]2)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CC[5]HH)	C(C[5]N[5]2)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	99.0789	4.355	2	99.0789	18.962	2	100.1482	8.174	4	100.8061	4.789	100	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[5]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CC[5]HH)	C(C[5]N[5]S[5])(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CC[5]HH)	C(C[5]N[5]S[5])(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	101.2175	0.993	2	101.2175	0.987	2	100.1482	8.174	4	100.8061	4.789	100	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CC[6]HH)	C(C[6]C[6]N[6])(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CC[6]HH)	C(C[6]C[6]N[6])(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	99.6309	0.594	6	99.6309	0.353	6	99.6309	0.353	6	100.8061	4.789	100	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CC[6a]HH)	C(C[6a]C[5a,6a]C[6a])(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	101.3834	1.449	8	101.3834	2.098	8	101.1834	2.353	26	100.8061	4.789	100	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CC[6a]HH)	C(C[6a]C[6a]2)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CC[6a]HH)	C(C[6a]C[6a]2)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	101.0945	1.603	18	101.0945	2.570	18	101.1834	2.353	26	100.8061	4.789	100	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CHHN)	C(NC[6a]C)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CHHN)	C(NC[6a]C)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	100.1059	2.416	8	100.1059	5.837	8	100.7258	5.339	12	100.8061	4.789	100	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CHHN)	C(NC[6a]H)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CHHN)	C(NC[6a]H)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	101.9657	1.698	4	101.9657	2.883	4	100.7258	5.339	12	100.8061	4.789	100	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CN[5]HH)	C(N[5]C[5,6a]C[5])(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CN[5]HH)	C(N[5]C[5,6a]C[5])(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	99.4751	3.437	8	99.4751	11.814	8	100.3478	9.533	16	100.8061	4.789	100	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[5]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CN[5]HH)	C(N[5]C[5,6a]Si[5])(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CN[5]HH)	C(N[5]C[5,6a]Si[5])(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	101.2205	2.622	8	101.2205	6.873	8	100.3478	9.533	16	100.8061	4.789	100	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CN[5a]HH)	C(N[5a]C[5a,6a]B[5a])(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CN[5a]HH)	C(N[5a]C[5a,6a]B[5a])(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	100.4823	2.219	4	100.4823	4.926	4	100.4823	4.926	4	100.8061	4.789	100	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[6]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CN[6]HH)	C(N[6]C[6,6a]C[6])(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CN[6]HH)	C(N[6]C[6,6a]C[6])(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	99.5285	1.903	4	99.5285	3.622	4	99.5285	3.622	4	100.8061	4.789	100	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CC[6]N)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CC[6]N)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	100.7595	0.586	2	100.7595	0.344	2	100.7846	0.763	6	100.8061	4.789	100	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:C-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CHP)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CHP)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	100.7971	1.076	4	100.7971	1.157	4	100.7846	0.763	6	100.8061	4.789	100	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CHHN)	C(PC[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CHHN)	C(PC[6a]2)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	99.1714	5.813	2	99.1714	33.793	2	99.1714	33.793	2	100.8061	4.789	100	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2)(PCC)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2)(PCC)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	101.4201	2.608	2	101.4201	6.800	2	102.0846	3.657	14	100.8061	4.789	100	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C)	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2)2(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C){1|C<3>,2|H<1>}	101.5051	2.404	4	101.5051	5.781	4	102.0846	3.657	14	100.8061	4.789	100	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2)2(H)2	C[6a](C[6a]C[6a]F)2(PC[6a]C)	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2)2(H)2	C[6a](C[6a]C[6a]F)2(PC[6a]C){1|C<3>,2|F<1>}	103.4050	1.199	4	103.4050	1.439	4	102.0846	3.657	14	100.8061	4.789	100	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2)2(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	101.6760	1.753	4	101.6760	3.071	4	102.0846	3.657	14	100.8061	4.789	100	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:S-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CHHS)	C(PC[6a]2)(SNN)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CHHS)	C(PC[6a]2)(SNN)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	99.3153	4.030	2	99.3153	16.242	2	99.3153	16.242	2	100.8061	4.789	100	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P[5]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CP[5]HH)	C(P[5]C[5,6a]2)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CP[5]HH)	C(P[5]C[5,6a]2)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	101.5692	0.603	4	101.5692	0.363	4	101.5692	0.363	4	100.8061	4.789	100	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:3:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:P-3:C-2:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCHP)	C(PC[6a]2)2(CN)(H)	C[6a](C[6a]C[6a]C)2(PC[6a]C)	P(C[6a]C[6a]2)2(CCHP)	C(PC[6a]2)2(CN)(H)	C[6a](C[6a]C[6a]C)2(PC[6a]C){1|C<3>,2|H<1>}	106.3442	5.697	4	106.3442	32.453	4	103.8333	23.801	8	103.8333	23.801	8	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:3:2:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:P-3:C-2:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCHP)	C(PC[6a]2)2(CN)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CCHP)	C(PC[6a]2)2(CN)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	101.3225	2.504	4	101.3225	6.269	4	103.8333	23.801	8	103.8333	23.801	8	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[5]-3:C[6a]-3:C-4:	C[6a]-3:C[6a]-3:P-3:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[5]C[5]N[5])(C[6a]C[6a]2)(CC[6a]2H)	C(C[6a]C[6a]2)2(PC[6a]C[5])(H)	C[6a](C[6a]C[6a]C)2(PC[5]C)	P(C[5]C[5]N[5])(C[6a]C[6a]2)(CC[6a]2H)	C(C[6a]C[6a]2)2(PC[6a]C[5])(H)	C[6a](C[6a]C[6a]C)2(PC[5]C){1|C<3>,2|H<1>}	105.6670	0.000	1	105.6670	0.000	1	105.6670	0.000	1	103.0183	5.661	17	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:C-3:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CC[6a]CH)	C(C[6a]C[6a]2)(PC[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CC[6a]CH)	C(C[6a]C[6a]2)(PC[6a]2)(CCH)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	101.5320	1.819	4	101.5320	3.307	4	101.5320	3.307	4	103.0183	5.661	17	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:P-3:C-3:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCHP)	C(PC[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CCHP)	C(PC[6a]2)2(CCH)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	101.6027	2.123	4	101.6027	4.508	4	103.2930	5.808	12	103.0183	5.661	17	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:3:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:P-3:C-3:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCHP)	C(PC[6a]2)2(COO)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CCHP)	C(PC[6a]2)2(COO)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	104.1381	2.179	8	104.1381	4.746	8	103.2930	5.808	12	103.0183	5.661	17	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:3:3:2:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:P-3:O-2:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CC[6a]OP)	C(C[6a]C[6a]2)(PC[6a]2)2(OB[5a])	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CC[6a]OP)	C(C[6a]C[6a]2)(PC[6a]2)2(OB[5a])	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	103.1347	3.086	4	103.1347	9.525	4	103.1347	9.525	4	103.1347	9.525	4	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:3:3:3:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	N[5a]-3:N[5a]-3:N[5a]-3:P-3:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CN[5a]3)	C(N[5a]C[5a]N[5a])3(PC[6a]2)	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CN[5a]3)	C(N[5a]C[5a]N[5a])3(PC[6a]2)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	104.1528	2.975	6	104.1528	8.850	6	104.1528	8.850	6	104.1528	8.850	6	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:P-3:C-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CC[6]CH)	C(C[6]N[6]2)(PC[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CC[6]CH)	C(C[6]N[6]2)(PC[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	99.6555	2.783	4	99.6555	7.743	4	99.6555	7.743	4	102.8257	5.486	30	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:C-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CC[6a]CH)	C(C[6a]C[6a]2)(PC[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CC[6a]CH)	C(C[6a]C[6a]2)(PC[6a]2)(CCHN)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	103.0687	2.027	4	103.0687	4.107	4	102.7476	2.020	10	102.8257	5.486	30	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6a]-3:P-3:C-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CC[6a]CH)	C(C[6a]C[6a]2)(PC[6a]2)(CHHP)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CC[6a]CH)	C(C[6a]C[6a]2)(PC[6a]2)(CHHP)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	102.5335	1.017	6	102.5335	1.035	6	102.7476	2.020	10	102.8257	5.486	30	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:P-3:C-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCHP)	C(PC[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CCHP)	C(PC[6a]2)2(CCHH)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	103.0745	1.866	12	103.0745	3.481	12	103.6670	4.406	16	102.8257	5.486	30	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:3:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:P-3:C-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCHP)	C(PC[6a]2)2(CHPP)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C)	P(C[6a]C[6a]2)2(CCHP)	C(PC[6a]2)2(CHPP)(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C){1|C<3>,2|H<1>}	105.4445	1.910	4	105.4445	3.646	4	103.6670	4.406	16	102.8257	5.486	30	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[3]-3:C-4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(C[3]C[3]2)(CCHH)	C(PC[6a]C[3])(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(PC[3]C)	P(C[6a]C[6a]2)(C[3]C[3]2)(CCHH)	C(PC[6a]C[3])(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(PC[3]C){1|C<3>,2|H<1>}	105.1390	2.420	2	105.1390	5.855	2	105.1390	5.855	2	102.5398	13.877	135	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:C-4:F-1:F-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCFF)	C(PC[6a]2)(CF3)(F)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CCFF)	C(PC[6a]2)(CF3)(F)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	99.6497	0.863	2	99.6497	0.745	2	99.6497	0.745	2	102.5398	13.877	135	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CBHH)(H)2	C[6a](C[6a]C[6a]C)2(PC[6a]C)	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CBHH)(H)2	C[6a](C[6a]C[6a]C)2(PC[6a]C){1|C<3>,2|H<1>}	106.1182	7.464	14	106.1182	55.712	14	102.5275	14.947	122	102.5398	13.877	135	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CC3)(H)2	C[6a](C[6a]C[6a]C)2(PC[6a]C)	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CC3)(H)2	C[6a](C[6a]C[6a]C)2(PC[6a]C){1|C<3>,2|H<1>}	105.5568	9.477	2	105.5568	89.811	2	102.5275	14.947	122	102.5398	13.877	135	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CC3)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CC3)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	102.6527	2.667	10	102.6527	7.111	10	102.5275	14.947	122	102.5398	13.877	135	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CCCH)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	100.9698	2.130	2	100.9698	4.538	2	102.5275	14.947	122	102.5398	13.877	135	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CCCO)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CCCO)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	101.2721	3.476	2	101.2721	12.083	2	102.5275	14.947	122	102.5398	13.877	135	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(PC[6a]C)	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(PC[6a]C){1|C<3>,2|H<1>}	105.5384	6.425	6	105.5384	41.281	6	102.5275	14.947	122	102.5398	13.877	135	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	102.4395	1.173	8	102.4395	1.375	8	102.5275	14.947	122	102.5398	13.877	135	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CCHO)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	100.6279	1.054	4	100.6279	1.110	4	102.5275	14.947	122	102.5398	13.877	135	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CHHN)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	101.0663	1.353	12	101.0663	1.832	12	102.5275	14.947	122	102.5398	13.877	135	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CHHO)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	101.9654	2.031	10	101.9654	4.124	10	102.5275	14.947	122	102.5398	13.877	135	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CHHP)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C)	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CHHP)(H)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C){1|C<3>,2|H<1>}	100.2025	1.671	8	100.2025	2.792	8	102.5275	14.947	122	102.5398	13.877	135	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CHHP)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]C)	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CHHP)(H)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(PC[6a]C){1|C<3>,2|O<2>,3|H<1>}	101.2300	0.000	1	101.2300	0.000	1	102.5275	14.947	122	102.5398	13.877	135	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CHHP)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]C)	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CHHP)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]C){1|C<3>,1|C<4>,1|H<1>}	100.3210	0.000	1	100.3210	0.000	1	102.5275	14.947	122	102.5398	13.877	135	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CHHP)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CHHP)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	102.2664	2.624	32	102.2664	6.888	32	102.5275	14.947	122	102.5398	13.877	135	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CHHS)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CCHH)	C(PC[6a]2)(CHHS)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	101.7171	2.135	10	101.7171	4.560	10	102.5275	14.947	122	102.5398	13.877	135	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CSiHH)	C(PC[6a]2)(SiC3)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CSiHH)	C(PC[6a]2)(SiC3)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	103.1515	1.218	6	103.1515	1.482	6	102.9980	1.412	8	102.5398	13.877	135	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CSiHH)	C(PC[6a]2)(SiCCN)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CSiHH)	C(PC[6a]2)(SiCCN)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	102.5375	1.381	2	102.5375	1.907	2	102.9980	1.412	8	102.5398	13.877	135	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:P[5]-3:C-4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(P[5]P[5]2)(CCHH)	C(PC[6a]P[5])(CHHP)(H)2	C[6a](C[6a]C[6a]H)2(PP[5]C)	P(C[6a]C[6a]2)(P[5]P[5]2)(CCHH)	C(PC[6a]P[5])(CHHP)(H)2	C[6a](C[6a]C[6a]H)2(PP[5]C){1|C<3>,2|H<1>}	100.9570	0.000	1	100.9570	0.000	1	100.9570	0.000	1	102.5398	13.877	135	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:3:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6]-3:P-4:P-3:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Fe)(PC[6a]2)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CC[6]HP)	C(C[6]C[6]N[6])(PC[6a]2Fe)(PC[6a]2)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	101.5385	0.443	2	101.5385	0.197	2	101.5385	0.197	2	101.5385	0.197	2	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:C-4:C-4:F-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCCF)	C(PC[6a]2)(CF3)2(F)	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CCCF)	C(PC[6a]2)(CF3)2(F)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	103.1135	0.501	4	103.1135	0.251	4	103.1135	0.251	4	104.7095	20.703	36	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)	C(PC[6a]2)(CH3)2(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]C)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)	C(PC[6a]2)(CH3)2(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]C){1|Br<1>,1|H<1>,3|C<3>}	103.5890	0.000	1	103.5890	0.000	1	101.5615	5.744	7	104.7095	20.703	36	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a,6a]C[6a])2(CCCH)	C(PC[6a]2)(CH3)2(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]C)	P(C[6a]C[6a,6a]C[6a])2(CCCH)	C(PC[6a]2)(CH3)2(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]C){1|H<1>,1|P<3>,3|C<3>}	101.5885	4.953	2	101.2235	5.933	6	101.5615	5.744	7	104.7095	20.703	36	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a,6a]C[6a])2(CCCH)	C(PC[6a]2)(CH3)2(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]C)	P(C[6a]C[6a,6a]C[6a])2(CCCH)	C(PC[6a]2)(CH3)2(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PC[6a]C){1|H<1>,1|P<4>,3|C<3>}	101.0410	1.256	4	101.2235	5.933	6	101.5615	5.744	7	104.7095	20.703	36	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)	C(PC[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(CCCH)	C(PC[6a]2)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	101.8970	0.000	1	101.8970	0.000	1	106.4724	34.457	17	104.7095	20.703	36	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCCH)	C(PC[6a]2)(CBHH)(CH3)(H)	C[6a](C[6a]C[6a]C)2(PC[6a]C)	P(C[6a]C[6a]2)2(CCCH)	C(PC[6a]2)(CBHH)(CH3)(H)	C[6a](C[6a]C[6a]C)2(PC[6a]C){1|C<3>,2|H<1>}	114.0817	7.664	4	114.0817	58.732	4	106.4724	34.457	17	104.7095	20.703	36	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCCH)	C(PC[6a]2)(CBHH)(CH3)(H)	C[6a](C[6a]C[6a]F)2(PC[6a]C)	P(C[6a]C[6a]2)2(CCCH)	C(PC[6a]2)(CBHH)(CH3)(H)	C[6a](C[6a]C[6a]F)2(PC[6a]C){1|C<3>,2|F<1>}	104.6894	2.515	10	104.6894	6.324	10	106.4724	34.457	17	104.7095	20.703	36	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCCH)	C(PC[6a]2)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CCCH)	C(PC[6a]2)(CCHH)(CH3)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	102.4565	1.268	2	102.4565	1.607	2	106.4724	34.457	17	104.7095	20.703	36	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CSi2H)	C(PC[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C)	P(C[6a]C[6a]2)2(CSi2H)	C(PC[6a]2)(SiC3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PC[6a]C){1|C<3>,2|H<1>}	104.7090	1.042	4	104.7090	1.087	4	104.7090	1.087	4	104.7095	20.703	36	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:4:1:	3:3:3:	C[6a]-3:Ge[4]-3:C-4:	P-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(Ge[4]P[4]2)(CSi2H)	C(PC[6a]Ge[4])(SiC3)2(H)	C[6a](C[6a]C[6a]H)2(PGe[4]C)	P(C[6a]C[6a]2)(Ge[4]P[4]2)(CSi2H)	C(PC[6a]Ge[4])(SiC3)2(H)	C[6a](C[6a]C[6a]H)2(PGe[4]C){1|C<3>,2|H<1>}	104.3222	0.782	4	104.3222	0.612	4	104.3222	0.612	4	104.7095	20.703	36	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6a]-3:B-3:C-4:	P-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(BC[6a]P)(CC3)	C(PC[6a]B)(CH3)3	C[6a](C[6a]C[6a]H)2(PBC)	P(C[6a]C[6a]2)(BC[6a]P)(CC3)	C(PC[6a]B)(CH3)3	C[6a](C[6a]C[6a]H)2(PBC){1|C<3>,2|H<1>}	103.7815	0.163	2	103.7815	0.027	2	103.7815	0.027	2	104.8337	10.512	22	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CC3)	C(PC[6a]2)(CH3)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]C)	P(C[6a]C[6a]2)2(CC3)	C(PC[6a]2)(CH3)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PC[6a]C){1|C<3>,2|C<4>}	108.9620	1.294	2	108.9620	1.674	2	105.3208	9.374	16	104.8337	10.512	22	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CC3)	C(PC[6a]2)(CH3)3	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CC3)	C(PC[6a]2)(CH3)3	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|C<4>}	104.7463	3.037	8	104.8006	8.356	14	105.3208	9.374	16	104.8337	10.512	22	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CC3)	C(PC[6a]2)(CH3)3	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CC3)	C(PC[6a]2)(CH3)3	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	104.8730	2.967	6	104.8006	8.356	14	105.3208	9.374	16	104.8337	10.512	22	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6a]-3:N-3:C-4:	P-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(NLiC)(CC3)	C(PC[6a]N)(CH3)3	C[6a](C[6a]C[6a]H)2(PCN)	P(C[6a]C[6a]2)(NLiC)(CC3)	C(PC[6a]N)(CH3)3	C[6a](C[6a]C[6a]H)2(PCN){1|C<3>,2|H<1>}	99.3542	0.413	2	99.3542	0.170	2	103.4119	22.009	4	104.8337	10.512	22	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	3:4:4:4:	3:3:3:	C[6a]-3:N-3:C-4:	P-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(NP[5]C)(CC3)	C(PC[6a]N)(CH3)3	C[6a](C[6a]C[6a]H)2(PCN)	P(C[6a]C[6a]2)(NP[5]C)(CC3)	C(PC[6a]N)(CH3)3	C[6a](C[6a]C[6a]H)2(PCN){1|C<3>,2|H<1>}	107.4695	0.009	2	107.4695	0.000	2	103.4119	22.009	4	104.8337	10.512	22	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	B-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CBHH)	C(BC[6a]2C)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CBHH)	C(BC[6a]2C)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	105.6875	0.630	8	105.6875	0.398	8	105.8331	2.283	26	102.4464	9.276	116	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	B-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CBHH)	C(BC[6a]CC)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CBHH)	C(BC[6a]CC)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	105.8978	1.783	18	105.8978	3.180	18	105.8331	2.283	26	102.4464	9.276	116	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	B[6]-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CB[6]HH)	C(B[6]C[6a]C[6]P[6])(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CB[6]HH)	C(B[6]C[6a]C[6]P[6])(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	102.8518	0.664	6	102.8518	0.441	6	102.8518	0.441	6	102.4464	9.276	116	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCHH)	C(CC[3x3,4,3x5,14x6]CH)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CCHH)	C(CC[3x3,4,3x5,14x6]CH)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	100.6430	0.849	2	100.6430	0.720	2	101.5185	13.423	28	102.4464	9.276	116	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCHH)	C(CC[4]HH)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(PC[6a]C)	P(C[6a]C[6a]2)2(CCHH)	C(CC[4]HH)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(PC[6a]C){1|C<3>,2|H<1>}	104.2427	6.883	4	104.2427	47.378	4	101.5185	13.423	28	102.4464	9.276	116	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCHH)	C(CC[5]HH)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(PC[6a]C)	P(C[6a]C[6a]2)2(CCHH)	C(CC[5]HH)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]C)2(PC[6a]C){1|C<3>,2|H<1>}	104.3734	7.696	2	104.3734	59.223	2	101.5185	13.423	28	102.4464	9.276	116	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCHH)	C(CC[5]HH)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CCHH)	C(CC[5]HH)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	102.1817	0.519	4	102.1817	0.270	4	101.5185	13.423	28	102.4464	9.276	116	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCHH)	C(CC[6a]HN)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CCHH)	C(CC[6a]HN)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	100.9721	5.669	2	100.9721	32.143	2	101.5185	13.423	28	102.4464	9.276	116	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCHH)	C(CC[6a]HP)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CCHH)	C(CC[6a]HP)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	100.1418	1.073	6	100.1418	1.152	6	101.5185	13.423	28	102.4464	9.276	116	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCHH)	C(CN[5]HH)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CCHH)	C(CN[5]HH)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	100.1971	2.701	4	100.1971	7.293	4	101.5185	13.423	28	102.4464	9.276	116	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCHH)	C(CN[6]CH)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CCHH)	C(CN[6]CH)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	101.8600	4.009	2	101.8600	16.074	2	101.5185	13.423	28	102.4464	9.276	116	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CCHH)	C(CN[6]HH)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CCHH)	C(CN[6]HH)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	99.7422	2.982	2	99.7422	8.894	2	101.5185	13.423	28	102.4464	9.276	116	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CC[5]HH)	C(C[5]C[5]2Fe)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CC[5]HH)	C(C[5]C[5]2Fe)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	100.2386	0.442	2	100.2386	0.195	2	100.6772	2.509	4	102.4464	9.276	116	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CC[5]HH)	C(C[5]C[5]N[5]H)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CC[5]HH)	C(C[5]C[5]N[5]H)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	101.1158	2.561	2	101.1158	6.561	2	100.6772	2.509	4	102.4464	9.276	116	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CC[6]HH)	C(C[6]C[6]2C)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CC[6]HH)	C(C[6]C[6]2C)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	103.1335	2.504	2	103.1335	6.269	2	103.1335	6.269	2	102.4464	9.276	116	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2B)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2B)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	100.0713	2.206	4	100.0713	4.866	4	101.2104	4.507	48	102.4464	9.276	116	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2C[5])(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2C[5])(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	100.5809	1.208	4	100.5809	1.460	4	101.2104	4.507	48	102.4464	9.276	116	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2Cu)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2Cu)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	101.5865	0.151	2	101.5865	0.023	2	101.2104	4.507	48	102.4464	9.276	116	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2Fe)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2Fe)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	100.9613	3.808	2	100.9613	14.502	2	101.2104	4.507	48	102.4464	9.276	116	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2N)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2N)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	100.4940	0.076	2	100.4940	0.006	2	101.2104	4.507	48	102.4464	9.276	116	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2Ni)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2Ni)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	101.2401	3.208	6	101.2401	10.288	6	101.2104	4.507	48	102.4464	9.276	116	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2P)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2P)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	101.0514	2.343	6	101.0514	5.488	6	101.2104	4.507	48	102.4464	9.276	116	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2Pd)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]C)	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2Pd)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]C){1|C<3>,2|H<1>}	101.3760	0.406	2	101.3760	0.165	2	101.2104	4.507	48	102.4464	9.276	116	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2Pt)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2Pt)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	101.2177	0.168	6	101.2177	0.028	6	101.2104	4.507	48	102.4464	9.276	116	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2Rh)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(PC[6a]C)	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2Rh)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]F)2(PC[6a]C){1|C<3>,2|F<1>}	103.2410	4.134	2	103.2410	17.088	2	101.2104	4.507	48	102.4464	9.276	116	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2Rh)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]C)	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2Rh)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PC[6a]C){1|C<3>,2|H<1>}	100.0460	4.022	2	100.0460	16.177	2	101.2104	4.507	48	102.4464	9.276	116	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2Ru)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]2Ru)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	100.5211	2.198	2	100.5211	4.829	2	101.2104	4.507	48	102.4464	9.276	116	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]PdC)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]PdC)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	101.6120	2.602	4	101.6120	6.769	4	101.2104	4.507	48	102.4464	9.276	116	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]PtC)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CHHP)	C(PC[6a]PtC)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	102.8835	1.687	4	102.8835	2.846	4	101.2104	4.507	48	102.4464	9.276	116	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:1:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	Si-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CSiHH)	C(SiC[6a]CC)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CSiHH)	C(SiC[6a]CC)(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	102.7075	3.031	2	102.7075	9.189	2	102.7075	9.189	2	102.4464	9.276	116	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:P-3:C-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CC[5]CH)	C(C[5]C[5]2Fe)(PC[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)2(PC[6a]C)	P(C[6a]C[6a]2)2(CC[5]CH)	C(C[5]C[5]2Fe)(PC[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]C)2(PC[6a]C){1|C<3>,2|H<1>}	108.0664	6.937	8	108.0664	48.126	8	104.8061	33.502	20	104.5307	31.247	22	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:P-3:C-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CC[5]CH)	C(C[5]C[5]2Fe)(PC[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CC[5]CH)	C(C[5]C[5]2Fe)(PC[6a]2)(CCHH)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	102.2672	3.572	2	102.2672	12.760	2	104.8061	33.502	20	104.5307	31.247	22	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:P-3:C-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CC[5]CH)	C(C[5]C[5]2Fe)(PC[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)2(PC[6a]C)	P(C[6a]C[6a]2)2(CC[5]CH)	C(C[5]C[5]2Fe)(PC[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]C)2(PC[6a]C){1|C<3>,2|H<1>}	107.1340	8.683	2	107.1340	75.399	2	104.8061	33.502	20	104.5307	31.247	22	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:P-3:C-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CC[5]CH)	C(C[5]C[5]2Fe)(PC[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CC[5]CH)	C(C[5]C[5]2Fe)(PC[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|C<4>}	100.5465	3.529	2	101.4133	5.916	4	104.8061	33.502	20	104.5307	31.247	22	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:P-3:C-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CC[5]CH)	C(C[5]C[5]2Fe)(PC[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CC[5]CH)	C(C[5]C[5]2Fe)(PC[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	102.2800	1.513	2	101.4133	5.916	4	104.8061	33.502	20	104.5307	31.247	22	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[5]-4:P-3:C-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CC[5]CH)	C(C[5]C[5]P[5]Ru)(PC[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CC[5]CH)	C(C[5]C[5]P[5]Ru)(PC[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	101.7840	0.895	4	101.7840	0.801	4	104.8061	33.502	20	104.5307	31.247	22	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:3:4:	4:3:4:1:	3:3:3:	C[6a]-3:C[6a]-3:C-4:	C[6]-4:P-3:C-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)2(CC[6]CH)	C(C[6]C[6]2Cr)(PC[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(C[6a]C[6a]2)2(CC[6]CH)	C(C[6]C[6]2Cr)(PC[6a]2)(CH3)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	101.7770	1.724	2	101.7770	2.972	2	101.7770	2.972	2	104.5307	31.247	22	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:1:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a,6a]C[6a])(PC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(PCH)	P(C[6a]C[6a]2)(CC[6a]HH)(H)	C(C[6a]C[6a,6a]C[6a])(PC[6a]H)(H)2	C[6a](C[6a]C[6a]H)2(PCH){1|C<3>,2|H<1>}	102.2270	0.881	2	102.2270	0.776	2	102.2270	0.776	2	102.2270	0.776	2	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CCHH)(H)	C(PC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(PCH)	P(C[6a]C[6a]2)(CCHH)(H)	C(PC[6a]H)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(PCH){1|C<3>,2|H<1>}	101.5370	0.000	1	101.5370	0.000	1	101.4930	0.169	3	101.4930	0.169	3	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CCHH)(H)	C(PC[6a]H)(CHHO)(H)2	C[6a](C[6a]C[6a]C)2(PCH)	P(C[6a]C[6a]2)(CCHH)(H)	C(PC[6a]H)(CHHO)(H)2	C[6a](C[6a]C[6a]C)2(PCH){1|C<3>,2|H<1>}	101.8800	0.000	1	101.8800	0.000	1	101.4930	0.169	3	101.4930	0.169	3	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:1:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:H-1:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CCHH)(H)	C(PC[6a]H)(CHHP)(H)2	C[6a](C[6a]C[6a]C)2(PCH)	P(C[6a]C[6a]2)(CCHH)(H)	C(PC[6a]H)(CHHP)(H)2	C[6a](C[6a]C[6a]C)2(PCH){1|C<3>,2|H<1>}	101.0620	0.000	1	101.0620	0.000	1	101.4930	0.169	3	101.4930	0.169	3	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:1:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:Cl-1:	P-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CSi2H)(Cl)	C(PC[6a]Cl)(SiC3)2(H)	C[6a](C[6a]C[6a]H)2(PClC)	P(C[6a]C[6a]2)(CSi2H)(Cl)	C(PC[6a]Cl)(SiC3)2(H)	C[6a](C[6a]C[6a]H)2(PClC){1|C<3>,2|H<1>}	103.6210	0.000	1	103.6210	0.000	1	103.6210	0.000	1	103.6210	0.000	1	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:1:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:Cl-1:	P-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CC3)(Cl)	C(PC[6a]Cl)(CH3)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PClC)	P(C[6a]C[6a]2)(CC3)(Cl)	C(PC[6a]Cl)(CH3)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PClC){2|H<1>,3|C<3>}	103.9790	0.362	2	103.9790	0.131	2	103.9790	0.131	2	103.9790	0.131	2	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:2:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:O-2:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CCHH)(OC)	C(PC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(PCO)	P(C[6a]C[6a]2)(CCHH)(OC)	C(PC[6a]O)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(PCO){1|C<3>,2|H<1>}	96.6669	0.000	1	96.6669	0.000	1	96.6669	0.000	1	96.6669	0.000	1	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:2:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:Ge-2:	P-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CSi2H)(GeCl)	C(PC[6a]Ge)(SiC3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PGeC)	P(C[6a]C[6a]2)(CSi2H)(GeCl)	C(PC[6a]Ge)(SiC3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PGeC){1|C<3>,2|H<1>}	103.5490	0.000	1	103.5490	0.000	1	105.9283	6.680	3	105.9283	6.680	3	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:2:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:Ge-2:	P-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CSi2H)(GeP)	C(PC[6a]Ge)(SiC3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PGeC)	P(C[6a]C[6a]2)(CSi2H)(GeP)	C(PC[6a]Ge)(SiC3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PGeC){1|C<3>,2|H<1>}	107.1180	2.206	2	107.1180	4.867	2	105.9283	6.680	3	105.9283	6.680	3	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-3:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CCHH)(CNN)	C(PC[6a]C)(CHHP)(H)2	C[6a](C[6a]C[6a]H)2(PCC)	P(C[6a]C[6a]2)(CCHH)(CNN)	C(PC[6a]C)(CHHP)(H)2	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	101.4455	2.108	2	101.4455	4.443	2	101.4455	4.443	2	101.4455	4.443	2	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:B-3:	P-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CC3)(BNN)	C(PC[6a]B)(CH3)3	C[6a](C[6a]C[6a]H)2(PBC)	P(C[6a]C[6a]2)(CC3)(BNN)	C(PC[6a]B)(CH3)3	C[6a](C[6a]C[6a]H)2(PBC){1|C<3>,2|H<1>}	110.1425	0.890	2	110.1425	0.793	2	110.1425	0.793	2	105.3854	20.556	6	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:C-3:	P-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CC3)(COO)	C(PC[6a]C)(CH3)3	C[6a](C[6a]C[6a]H)2(PCC)	P(C[6a]C[6a]2)(CC3)(COO)	C(PC[6a]C)(CH3)3	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	105.8950	0.778	2	105.8950	0.605	2	105.8950	0.605	2	105.3854	20.556	6	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:P-3:	P-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CC3)(PCN)	C(PC[6a]P)(CH3)3	C[6a](C[6a]C[6a]H)2(PCP)	P(C[6a]C[6a]2)(CC3)(PCN)	C(PC[6a]P)(CH3)3	C[6a](C[6a]C[6a]H)2(PCP){1|C<3>,2|H<1>}	100.3690	0.000	1	100.3690	0.000	1	100.1187	0.125	2	105.3854	20.556	6	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:3:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:P-3:	P-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CC3)(PNN)	C(PC[6a]P)(CH3)3	C[6a](C[6a]C[6a]H)2(PCP)	P(C[6a]C[6a]2)(CC3)(PNN)	C(PC[6a]P)(CH3)3	C[6a](C[6a]C[6a]H)2(PCP){1|C<3>,2|H<1>}	99.8683	0.000	1	99.8683	0.000	1	100.1187	0.125	2	105.3854	20.556	6	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:F-1:F-1:F-1:	C[6a,6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a,6a]C[6a])(CF3)2	C(PC[6a]C)(F)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	P(C[6a]C[6a,6a]C[6a])(CF3)2	C(PC[6a]C)(F)3	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC){1|Br<1>,1|H<1>,3|C<3>}	101.8675	2.391	2	101.8675	5.716	2	101.8675	5.716	2	102.6048	6.011	22	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:H-1:H-1:H-1:	C[6a,6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a,6a]C[6a])(CH3)2	C(PC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	P(C[6a]C[6a,6a]C[6a])(CH3)2	C(PC[6a]C)(H)3	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC){1|H<1>,1|P<3>,3|C<3>}	101.6507	0.747	3	101.6507	0.558	3	101.6507	0.558	3	102.6048	6.011	22	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CC[6a]2H)(CH3)	C(PC[6a]C)(H)3	C[6a](C[6a]C[6a]C)2(PCC)	P(C[6a]C[6a]2)(CC[6a]2H)(CH3)	C(PC[6a]C)(H)3	C[6a](C[6a]C[6a]C)2(PCC){1|C<3>,2|H<1>}	106.3745	0.754	2	106.3745	0.569	2	102.8599	7.154	17	102.6048	6.011	22	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CC[6a]CH)(CH3)	C(PC[6a]C)(H)3	C[6a](C[6a]C[6a]C)2(PCC)	P(C[6a]C[6a]2)(CC[6a]CH)(CH3)	C(PC[6a]C)(H)3	C[6a](C[6a]C[6a]C)2(PCC){1|C<3>,2|H<1>}	101.0710	0.000	1	101.0710	0.000	1	102.8599	7.154	17	102.6048	6.011	22	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CH3)2	C(PC[6a]C)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PCC)	P(C[6a]C[6a]2)(CH3)2	C(PC[6a]C)(H)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PCC){2|H<1>,3|C<3>}	101.4975	1.351	4	101.4975	1.826	4	102.8599	7.154	17	102.6048	6.011	22	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CH3)2	C(PC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PCC)	P(C[6a]C[6a]2)(CH3)2	C(PC[6a]C)(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PCC){1|C<3>,2|H<1>}	100.7188	0.493	6	100.7188	0.243	6	102.8599	7.154	17	102.6048	6.011	22	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:1:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CH3)2	C(PC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(PCC)	P(C[6a]C[6a]2)(CH3)2	C(PC[6a]C)(H)3	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	106.1238	0.766	4	106.1238	0.587	4	102.8599	7.154	17	102.6048	6.011	22	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[5]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CC[5]HH)2	C(C[5]N[5]O[5])(PC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(PCC)	P(C[6a]C[6a]2)(CC[5]HH)2	C(C[5]N[5]O[5])(PC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	101.8970	0.338	2	101.8970	0.114	2	101.8970	0.114	2	101.5431	5.970	26	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(PC[6a]C)(H)2	C[6a](C[6a]C[6a]C)2(PCC)	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(PC[6a]C)(H)2	C[6a](C[6a]C[6a]C)2(PCC){1|C<3>,2|H<1>}	104.2150	0.000	1	104.2150	0.000	1	102.3957	2.862	6	101.5431	5.970	26	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(PC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(PCC)	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(C[6a]C[6a]2)(PC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	102.4620	0.000	1	102.4620	0.000	1	102.3957	2.862	6	101.5431	5.970	26	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(PC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(PCC)	P(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]2)(PC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	103.3560	0.205	2	103.3560	0.042	2	102.3957	2.862	6	101.5431	5.970	26	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(PC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(PCC)	P(C[6a]C[6a]2)(CC[6a]HH)2	C(C[6a]C[6a]N[6a])(PC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	100.4926	1.365	2	100.4926	1.864	2	102.3957	2.862	6	101.5431	5.970	26	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CCHH)(CHHN)	C(PC[6a]C)(NCC)(H)2	C[6a](C[6a]C[6a]C)2(PCC)	P(C[6a]C[6a]2)(CCHH)(CHHN)	C(PC[6a]C)(NCC)(H)2	C[6a](C[6a]C[6a]C)2(PCC){1|C<3>,2|H<1>}	104.0787	0.603	4	104.0787	0.364	4	101.2195	7.548	18	101.5431	5.970	26	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CCHH)(CHHN)	C(PC[6a]C)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(PCC)	P(C[6a]C[6a]2)(CCHH)(CHHN)	C(PC[6a]C)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	100.5463	2.787	10	100.5463	7.766	10	101.2195	7.548	18	101.5431	5.970	26	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:N-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CHHN)2	C(PC[6a]C)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(PCC)	P(C[6a]C[6a]2)(CHHN)2	C(PC[6a]C)(NCC)(H)2	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	100.0434	2.204	4	100.0434	4.857	4	101.2195	7.548	18	101.5431	5.970	26	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:3:3:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:C[6a]-3:P-3:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CC[6a]2H)(CH3)	C(C[6a]C[6a]2)2(PC[6a]C)(H)	C[6a](C[6a]C[6a]C)2(PCC)	P(C[6a]C[6a]2)(CC[6a]2H)(CH3)	C(C[6a]C[6a]2)2(PC[6a]C)(H)	C[6a](C[6a]C[6a]C)2(PCC){1|C<3>,2|H<1>}	99.8324	0.161	2	99.8324	0.026	2	99.8324	0.026	2	99.8324	0.026	2	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CCHH)(CHHN)	C(PC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(PCC)	P(C[6a]C[6a]2)(CCHH)(CHHN)	C(PC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(PCC){1|C<3>,2|H<1>}	105.0000	1.349	4	105.0000	1.820	4	102.2444	8.113	19	102.2444	8.113	19	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CCHH)(CHHN)	C(PC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(PCC)	P(C[6a]C[6a]2)(CCHH)(CHHN)	C(PC[6a]C)(CCHH)(H)2	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	100.6295	1.812	6	100.6295	3.282	6	102.2444	8.113	19	102.2444	8.113	19	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CCHH)(CHHN)	C(PC[6a]C)(CHHP)(H)2	C[6a](C[6a]C[6a]H)2(PCC)	P(C[6a]C[6a]2)(CCHH)(CHHN)	C(PC[6a]C)(CHHP)(H)2	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	101.8955	2.111	4	101.8955	4.456	4	102.2444	8.113	19	102.2444	8.113	19	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CCHH)(CHHP)	C(PC[6a]C)(CHHP)(H)2	C[6a](C[6a]C[6a]H)2(PCC)	P(C[6a]C[6a]2)(CCHH)(CHHP)	C(PC[6a]C)(CHHP)(H)2	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	100.8346	1.277	3	100.8346	1.631	3	102.2444	8.113	19	102.2444	8.113	19	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(PC[6a]C)(CHHP)(H)2	C[6a](C[6a]C[6a]C)2(PCC)	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(PC[6a]C)(CHHP)(H)2	C[6a](C[6a]C[6a]C)2(PCC){1|C<3>,2|H<1>}	109.1790	0.000	1	109.1790	0.000	1	102.2444	8.113	19	102.2444	8.113	19	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(PC[6a]C)(CHHP)(H)2	C[6a](C[6a]C[6a]H)2(PCC)	P(C[6a]C[6a]2)(CC[6a]HH)(CCHH)	C(PC[6a]C)(CHHP)(H)2	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	99.6016	0.000	1	99.6016	0.000	1	102.2444	8.113	19	102.2444	8.113	19	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:3:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[6a]-3:C-4:P-3:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CC[5]CC)(PC[6a]C)(H)	C[6a](C[6a]C[6a]C)2(PCC)	P(C[6a]C[6a]2)(CC[6a]CH)(CH3)	C(C[6a]C[6a]2)(CC[5]CC)(PC[6a]C)(H)	C[6a](C[6a]C[6a]C)2(PCC){1|C<3>,2|H<1>}	107.1990	0.000	1	107.1990	0.000	1	107.1990	0.000	1	107.1990	0.000	1	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:1:	3:2:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	C[6a]-3:N[6a]-2:P-3:	P(C[6a]C[6a]N[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PCC)	P(C[6a]C[6a]N[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(PCC){1|H<1>,2|C<3>}	100.8235	1.654	4	100.8235	2.737	4	100.8235	2.737	4	100.8235	2.737	4	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:B-4:	P-3:Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CSi2H)(BH3)	C(PC[6a]B)(SiC3)2(H)	C[6a](C[6a]C[6a]H)2(PBC)	P(C[6a]C[6a]2)(CSi2H)(BH3)	C(PC[6a]B)(SiC3)2(H)	C[6a](C[6a]C[6a]H)2(PBC){1|C<3>,2|H<1>}	102.0370	0.761	2	102.0370	0.579	2	102.0370	0.579	2	102.1914	7.103	158	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	C[5a,6a]-3:C[6a]-3:P-3:	P(C[6a]C[5a,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PCC)	P(C[6a]C[5a,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[5a,6a]C[5a,6a]O[5a])(C[6a]C[6a]H)(PCC){1|H<1>,3|C<3>}	102.7152	1.784	4	102.7152	3.183	4	102.7152	3.183	4	102.1914	7.103	158	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:P-3:	P(C[6a]C[6,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(PCC)	P(C[6a]C[6,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6,6a]C[6,6a]C[5,6])(C[6a]C[6a]H)(PCC){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	100.6894	2.756	2	100.6894	7.594	2	100.8065	4.648	8	102.1914	7.103	158	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:P-3:	P(C[6a]C[6,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PCC)	P(C[6a]C[6,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PCC){1|C<3>,3|C<4>}	100.6336	2.425	4	100.8455	4.981	6	100.8065	4.648	8	102.1914	7.103	158	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	C[6,6a]-3:C[6a]-3:P-3:	P(C[6a]C[6,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PCC)	P(C[6a]C[6,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PCC){1|C<4>,1|H<1>,2|C<3>}	101.2694	2.592	2	100.8455	4.981	6	100.8065	4.648	8	102.1914	7.103	158	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a,6a]-3:P-3:	P(C[6a]C[6a,6a]2)(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(PCC)	P(C[6a]C[6a,6a]2)(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(PCC){2|H<1>,5|C<3>}	104.1525	3.952	4	104.1525	15.617	4	104.1525	15.617	4	102.1914	7.103	158	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC){1|As<1>,1|H<1>,3|C<3>}	106.0212	6.273	4	102.9049	14.315	36	102.7845	13.571	56	102.1914	7.103	158	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC){1|As<2>,1|H<1>,3|C<3>}	109.5080	2.363	2	102.9049	14.315	36	102.7845	13.571	56	102.1914	7.103	158	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC){1|As<3>,1|H<1>,3|C<3>}	101.4405	2.175	12	102.9049	14.315	36	102.7845	13.571	56	102.1914	7.103	158	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC){1|Br<1>,1|H<1>,3|C<3>}	101.8031	2.615	2	102.9049	14.315	36	102.7845	13.571	56	102.1914	7.103	158	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC){1|H<1>,1|P<3>,3|C<3>}	102.9319	3.308	14	102.9049	14.315	36	102.7845	13.571	56	102.1914	7.103	158	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a,6a]C[5,6a,6a]C[6a])(C[6a]C[6a]H)(PCC){1|Sn<4>,1|H<1>,3|C<3>}	99.7687	1.536	2	102.9049	14.315	36	102.7845	13.571	56	102.1914	7.103	158	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(PCC)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a,6a]H)(PCC){1|H<1>,4|C<3>}	102.5935	0.552	2	102.5935	0.305	2	102.7845	13.571	56	102.1914	7.103	158	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC){1|B<3>,1|H<1>,3|C<3>}	101.7956	5.065	2	102.5650	14.331	18	102.7845	13.571	56	102.1914	7.103	158	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC){1|H<1>,1|P<2>,3|C<3>}	107.6412	0.874	4	102.5650	14.331	18	102.7845	13.571	56	102.1914	7.103	158	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC){1|H<1>,1|P<3>,3|C<3>}	100.7091	3.006	8	102.5650	14.331	18	102.7845	13.571	56	102.1914	7.103	158	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	C[6a,6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	P(C[6a]C[6a,6a]C[6a])(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC){2|H<1>,3|C<3>}	101.5850	2.366	4	102.5650	14.331	18	102.7845	13.571	56	102.1914	7.103	158	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CCCH)2	C(PC[6a]C)(CCHH)2(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC)	P(C[6a]C[6a]2)(CCCH)2	C(PC[6a]C)(CCHH)2(H)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(PCC){1|H<1>,4|C<3>}	99.6280	1.570	2	99.6280	2.464	2	101.8133	2.598	84	102.1914	7.103	158	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PCC)	P(C[6a]C[6a]2)(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PCC){1|C<3>,2|H<1>,2|N<3>}	100.9398	0.590	4	100.9398	0.348	4	101.8133	2.598	84	102.1914	7.103	158	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PCC)	P(C[6a]C[6a]2)(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]B)(C[6a]C[6a]H)(PCC){1|C<3>,2|H<1>}	101.3771	1.534	6	101.3771	2.352	6	101.8133	2.598	84	102.1914	7.103	158	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PCC)	P(C[6a]C[6a]2)(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(PCC){1|C<3>,2|H<1>}	102.2712	1.158	28	102.2712	1.340	28	101.8133	2.598	84	102.1914	7.103	158	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(PCC)	P(C[6a]C[6a]2)(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(PCC){1|C<3>,1|F<1>,1|O<2>}	105.0760	2.985	2	105.0760	8.913	2	101.8133	2.598	84	102.1914	7.103	158	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC)	P(C[6a]C[6a]2)(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC){1|Br<1>,1|C<3>,1|C<4>}	100.5468	2.091	4	101.4994	2.307	24	101.8133	2.598	84	102.1914	7.103	158	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC)	P(C[6a]C[6a]2)(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC){1|C<3>,1|C<4>,1|H<1>}	101.8593	1.473	12	101.4994	2.307	24	101.8133	2.598	84	102.1914	7.103	158	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC)	P(C[6a]C[6a]2)(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC){1|C<3>,1|F<1>,1|H<1>}	100.5072	1.093	4	101.4994	2.307	24	101.8133	2.598	84	102.1914	7.103	158	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC)	P(C[6a]C[6a]2)(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(PCC){1|C<3>,2|H<1>}	102.3645	0.358	4	101.4994	2.307	24	101.8133	2.598	84	102.1914	7.103	158	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(PCC)	P(C[6a]C[6a]2)(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(PCC){1|B<4>,1|C<3>,1|H<1>}	102.9115	1.206	4	102.5969	1.312	8	101.8133	2.598	84	102.1914	7.103	158	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(PCC)	P(C[6a]C[6a]2)(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	102.2823	1.159	4	102.5969	1.312	8	101.8133	2.598	84	102.1914	7.103	158	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PCC)	P(C[6a]C[6a]2)(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(PCC){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	99.8597	2.567	2	99.8597	6.591	2	101.8133	2.598	84	102.1914	7.103	158	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PCC)	P(C[6a]C[6a]2)(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(PCC){2|H<1>,3|C<3>}	102.0015	0.436	2	102.0015	0.190	2	101.8133	2.598	84	102.1914	7.103	158	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(PCC)	P(C[6a]C[6a]2)(CCCH)2	C(PC[6a]C)(CH3)2(H)	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(PCC){1|C<3>,2|H<1>}	101.1352	2.350	6	101.1352	5.522	6	101.8133	2.598	84	102.1914	7.103	158	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:C-4:	C[6,6a]-3:C[6a]-3:P-3:	P(C[6a]C[6,6a]C[6a])(CC3)2	C(PC[6a]C)(CH3)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PCC)	P(C[6a]C[6,6a]C[6a])(CC3)2	C(PC[6a]C)(CH3)3	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(PCC){1|C<3>,3|C<4>}	103.1390	3.219	4	103.1390	10.362	4	103.1390	10.362	4	105.0802	9.996	20	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CC3)2	C(PC[6a]C)(CCHH)(CH3)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PCC)	P(C[6a]C[6a]2)(CC3)2	C(PC[6a]C)(CCHH)(CH3)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(PCC){2|H<1>,3|C<3>}	104.4915	2.299	2	104.4915	5.285	2	105.5655	9.333	16	105.0802	9.996	20	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CC3)2	C(PC[6a]C)(CH3)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(PCC)	P(C[6a]C[6a]2)(CC3)2	C(PC[6a]C)(CH3)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(PCC){1|C<4>,1|H<1>,3|C<3>}	107.5290	0.301	2	107.2015	3.397	4	105.5655	9.333	16	105.0802	9.996	20	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CC3)2	C(PC[6a]C)(CH3)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(PCC)	P(C[6a]C[6a]2)(CC3)2	C(PC[6a]C)(CH3)3	C[6a](C[6a]C[6a]2)(C[6a]C[6a]O)(PCC){1|H<1>,1|O<2>,3|C<3>}	106.8740	3.110	2	107.2015	3.397	4	105.5655	9.333	16	105.0802	9.996	20	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CC3)2	C(PC[6a]C)(CH3)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(PCC)	P(C[6a]C[6a]2)(CC3)2	C(PC[6a]C)(CH3)3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(PCC){1|C<3>,2|H<1>}	102.9710	3.270	2	102.9710	10.691	2	105.5655	9.333	16	105.0802	9.996	20	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CC3)2	C(PC[6a]C)(CH3)3	C[6a](C[6a]C[6a]F)2(PCC)	P(C[6a]C[6a]2)(CC3)2	C(PC[6a]C)(CH3)3	C[6a](C[6a]C[6a]F)2(PCC){1|C<3>,2|F<1>}	107.5120	4.013	4	107.5120	16.102	4	105.5655	9.333	16	105.0802	9.996	20	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	3:4:4:4:	3:3:3:	C[6a]-3:C-4:C-4:	P-3:C-4:C-4:C-4:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CC3)2	C(PC[6a]C)(CH3)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PCC)	P(C[6a]C[6a]2)(CC3)2	C(PC[6a]C)(CH3)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(PCC){1|C<3>,2|H<1>}	103.8173	1.972	4	103.8173	3.888	4	105.5655	9.333	16	105.0802	9.996	20	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	C[5]-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CC[5]HH)(CTiCC)	C(C[5]C[5]2Ti)(PC[6a]C)(H)2	C[6a](C[6a]C[6a]C)2(PCC)	P(C[6a]C[6a]2)(CC[5]HH)(CTiCC)	C(C[5]C[5]2Ti)(PC[6a]C)(H)2	C[6a](C[6a]C[6a]C)2(PCC){1|C<3>,2|H<1>}	108.2000	0.000	1	108.2000	0.000	1	108.2000	0.000	1	100.6404	11.551	12	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CCHH)(CHHP)	C(PC[6a]FeC)(PC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(PCC)	P(C[6a]C[6a]2)(CCHH)(CHHP)	C(PC[6a]FeC)(PC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	98.8688	0.000	1	98.8688	0.000	1	99.9531	6.472	11	100.6404	11.551	12	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CCHH)(CHHP)	C(PC[6a]NiC)(PC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(PCC)	P(C[6a]C[6a]2)(CCHH)(CHHP)	C(PC[6a]NiC)(PC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	103.6950	0.185	2	103.6950	0.034	2	99.9531	6.472	11	100.6404	11.551	12	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CHHP)2	C(PC[6a]2Pd)(PC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(PCC)	P(C[6a]C[6a]2)(CHHP)2	C(PC[6a]2Pd)(PC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	97.9205	1.628	4	97.9205	2.652	4	99.9531	6.472	11	100.6404	11.551	12	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	3:4:4:	4:3:1:1:	3:3:3:	C[6a]-3:C-4:C-4:	P-4:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[6a]C[6a]2)(CHHP)2	C(PC[6a]PdC)(PC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(PCC)	P(C[6a]C[6a]2)(CHHP)2	C(PC[6a]PdC)(PC[6a]C)(H)2	C[6a](C[6a]C[6a]H)2(PCC){1|C<3>,2|H<1>}	100.3860	1.851	4	100.3860	3.425	4	99.9531	6.472	11	100.6404	11.551	12	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	4:3:3:	4:3:3:1:	3:3:3:	C-4:C[6a]-3:C[6a]-3:	C[5]-4:C[6a]-3:P-3:H-1:	C[6a]-3:C[6a]-3:P-3:	P(CC[6a]C[5]H)(C[6a]C[6a]2)2	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(PC[6a]2)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(CC[6a]C[5]H)(C[6a]C[6a]2)2	C(C[5]C[5]2Fe)(C[6a]C[6a]2)(PC[6a]2)(H)	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	101.5720	6.090	2	101.5720	37.083	2	101.5720	37.083	2	101.5720	37.083	2	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	4:3:3:	6:3:1:1:	3:3:3:	C-4:C[6a]-3:C[6a]-3:	C[5x3,5x5,20x6]-6:P-3:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(CC[5x3,5x5,20x6]HH)(C[6a]C[6a]2)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C)	P(CC[5x3,5x5,20x6]HH)(C[6a]C[6a]2)2	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(PC[6a]2)(H)2	C[6a](C[6a]C[6a]H)2(PC[6a]C){1|C<3>,2|H<1>}	104.6970	2.198	2	104.6970	4.830	2	104.6970	4.830	2	104.6970	4.830	2	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	4:3:4:	3:1:1:1:	3:3:3:	C[5]-4:C[6a]-3:C-4:	P-3:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[5]C[5]2Fe)(C[6a]C[6a]2)(CH3)	C(PC[6a]C[5])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[5]C)	P(C[5]C[5]2Fe)(C[6a]C[6a]2)(CH3)	C(PC[6a]C[5])(H)3	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(PC[5]C){1|C<3>,2|H<1>}	97.3415	0.000	1	97.3415	0.000	1	97.3415	0.000	1	97.3415	0.000	1	102.5344	11.075	802	102.5344	11.075	802
945	490	643	0:SP3_SP2_SP3	P	C	C[6a]	4:3:4:	3:4:1:1:	3:3:3:	C[5]-4:C[6a]-3:C-4:	P-3:C-4:H-1:H-1:	C[6a]-3:C[6a]-3:P-3:	P(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCHH)	C(PC[6a]C[5])(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(PC[5]C)	P(C[5]C[5,6]C[5]H)(C[6a]C[6a]2)(CCHH)	C(PC[6a]C[5])(CCHH)(H)2	C[6a](C[6a]C[6a]C)2(PC[5]C){1|C<3>,2|H<1>}	114.1040	0.000	1	114.1040	0.000	1	114.1040	0.000	1	114.1040	0.000	1	102.5344	11.075	802	102.5344	11.075	802