956	856	941	0:SP2_SP2_SP3	N	N[6]	N	3:2:1:	4:4:3:	3:2:	N[6]-3:N-2:O-1:	C[6]-4:C[6]-4:N-3:	N-3:O-2:	N(N[6]C[6]2)(NO)(O)	N[6](C[6]C[6]HH)2(NNO)	N(NN[6]O)(OC)	N(N[6]C[6]2)(NO)(O)	N[6](C[6]C[6]HH)2(NNO){1|N<4>,4|H<1>}	N(NN[6]O)(OC)	115.1090	0.000	1	115.1090	0.000	1	115.1090	0.000	1	115.1090	0.000	1	115.1090	0.000	1	115.1090	0.000	1
956	856	951	0:SP2_SP-NON_SP2	N	N[6]	H	3:1:1:	3:3:3:	3:	N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(N[6]C[6]2)(H)2	N[6](C[6]C[6]O)(C[6]N[6]S)(NHH)	H(NN[6]H)	N(N[6]C[6]2)(H)2	N[6](C[6]C[6]O)(C[6]N[6]S)(NHH){1|C<4>,1|H<1>,1|N<2>}	H(NN[6]H)	119.9910	0.041	2	119.9910	0.002	2	119.9910	0.002	2	119.9910	0.002	2	117.3664	20.948	15	117.3664	20.948	15
956	856	951	0:SP2_SP-NON_SP2	N	N[6]	H	3:3:1:	3:3:3:	3:	C[6a]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]O)(NC[6a]H)	H(NC[6a]N[6])	N(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](C[6]C[6a]N[6])(C[6]C[6,6a]O)(NC[6a]H){1|Pd<4>,4|C<3>}	H(NC[6a]N[6])	106.6020	0.000	1	106.6020	0.000	1	106.6020	0.000	1	117.2772	23.283	8	117.3664	20.948	15	117.3664	20.948	15
956	856	951	0:SP2_SP-NON_SP2	N	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C-3:H-1:	C[6,6]-3:C[6,6]-3:N-3:	N-3:	N(N[6]C[6,6]2)(CC[6a]O)(H)	N[6](C[6,6]C[6,6]C[6])2(NCH)	H(NN[6]C)	N(N[6]C[6,6]2)(CC[6a]O)(H)	N[6](C[6,6]C[6,6]C[6])2(NCH){2|C<3>,3|C<4>,4|H<1>}	H(NN[6]C)	120.6125	0.390	2	120.6125	0.152	2	120.6125	0.152	2	117.2772	23.283	8	117.3664	20.948	15	117.3664	20.948	15
956	856	951	0:SP2_SP-NON_SP2	N	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(N[6]C[6]2)(CCO)(H)	N[6](C[6]C[6,6a]O)2(NCH)	H(NN[6]C)	N(N[6]C[6]2)(CCO)(H)	N[6](C[6]C[6,6a]O)2(NCH){3|C<3>}	H(NN[6]C)	119.0350	0.000	1	119.0350	0.000	1	118.0782	5.852	5	117.2772	23.283	8	117.3664	20.948	15	117.3664	20.948	15
956	856	951	0:SP2_SP-NON_SP2	N	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(N[6]C[6]2)(CC[6a]O)(H)	N[6](C[6]C[6,6a]O)2(NCH)	H(NN[6]C)	N(N[6]C[6]2)(CC[6a]O)(H)	N[6](C[6]C[6,6a]O)2(NCH){3|C<3>}	H(NN[6]C)	116.1875	3.252	2	116.1875	10.575	2	118.0782	5.852	5	117.2772	23.283	8	117.3664	20.948	15	117.3664	20.948	15
956	856	951	0:SP2_SP-NON_SP2	N	N[6]	H	3:3:1:	3:3:3:	3:	N[6]-3:C-3:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(N[6]C[6]2)(CNS)(H)	N[6](C[6]C[6,6a]O)2(NCH)	H(NN[6]C)	N(N[6]C[6]2)(CNS)(H)	N[6](C[6]C[6,6a]O)2(NCH){3|C<3>}	H(NN[6]C)	119.4905	0.883	2	119.4905	0.780	2	118.0782	5.852	5	117.2772	23.283	8	117.3664	20.948	15	117.3664	20.948	15
956	856	951	0:SP2_SP-NON_SP2	N	N[6]	H	3:3:1:	4:3:3:	3:	C[6a]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](C[6]C[3]N[6]H)(C[6]C[6,6a]O)(NC[6a]H)	H(NC[6a]N[6])	N(C[6a]C[6a]2)(N[6]C[6]2)(H)	N[6](C[6]C[3]N[6]H)(C[6]C[6,6a]O)(NC[6a]H){1|H<1>,2|C<3>,3|C<4>}	H(NC[6a]N[6])	121.6950	0.000	1	121.6950	0.000	1	121.6950	0.000	1	116.4592	28.085	5	117.3664	20.948	15	117.3664	20.948	15
956	856	951	0:SP2_SP-NON_SP2	N	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(N[6]C[6]2)(CC[6a]O)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH)	H(NN[6]C)	N(N[6]C[6]2)(CC[6a]O)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	H(NN[6]C)	116.1540	0.000	1	116.1540	0.000	1	117.4343	7.734	3	116.4592	28.085	5	117.3664	20.948	15	117.3664	20.948	15
956	856	951	0:SP2_SP-NON_SP2	N	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(N[6]C[6]2)(CC[6a]O)(H)	N[6](C[6]C[6]HH)(C[6]S[6]S)(NCH)	H(NN[6]C)	N(N[6]C[6]2)(CC[6a]O)(H)	N[6](C[6]C[6]HH)(C[6]S[6]S)(NCH){1|C<4>,2|H<1>}	H(NN[6]C)	120.6250	0.000	1	120.6250	0.000	1	117.4343	7.734	3	116.4592	28.085	5	117.3664	20.948	15	117.3664	20.948	15
956	856	951	0:SP2_SP-NON_SP2	N	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(N[6]C[6]2)(COO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH)	H(NN[6]C)	N(N[6]C[6]2)(COO)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH){1|N<3>,1|O<1>,2|H<1>}	H(NN[6]C)	115.5240	0.000	1	115.5240	0.000	1	117.4343	7.734	3	116.4592	28.085	5	117.3664	20.948	15	117.3664	20.948	15
956	856	951	0:SP2_SP-NON_SP2	N	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6]-3:N-3:	N-3:	N(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(NC[6a]H)	H(NC[6a]N[6])	N(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(NC[6a]H){5|C<3>}	H(NC[6a]N[6])	108.2980	0.000	1	108.2980	0.000	1	108.2980	0.000	1	116.4592	28.085	5	117.3664	20.948	15	117.3664	20.948	15
956	856	951	0:SP2_SP-NON_SP3	N	N[6,6]	H	3:3:1:	4:4:3:	3:	N[6,6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6,6]-4:N-3:	N-3:	N(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)	N[6,6](C[6,6]N[5,6]C[6]H)(C[6,6]C[6]2H)(NC[6a]H)	H(NN[6,6]C[6a])	N(N[6,6]C[6,6]2)(C[6a]C[6a]2)(H)	N[6,6](C[6,6]N[5,6]C[6]H)(C[6,6]C[6]2H)(NC[6a]H){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	H(NN[6,6]C[6a])	121.1610	0.000	1	121.1610	0.000	1	121.1610	0.000	1	121.1610	0.000	1	121.1610	0.000	1	119.6055	9.339	13
956	856	951	0:SP2_SP-NON_SP3	N	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C-3:H-1:	C[6,6]-4:C[6]-3:N-3:	N-3:	N(N[6]C[6,6]C[6])(CC[6a]O)(H)	N[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6a]C[6])(NCH)	H(NN[6]C)	N(N[6]C[6,6]C[6])(CC[6a]O)(H)	N[6](C[6,6]C[6,6a]O[6,6]H)(C[6]C[6a]C[6])(NCH){1|C<4>,1|H<1>,4|C<3>}	H(NN[6]C)	117.4070	0.000	1	117.4070	0.000	1	117.4070	0.000	1	117.4070	0.000	1	119.4758	9.949	12	119.6055	9.339	13
956	856	951	0:SP2_SP-NON_SP3	N	N[6]	H	3:3:1:	4:4:3:	3:	N[6]-3:C-3:H-1:	C[6,6]-4:C[6]-4:N-3:	N-3:	N(N[6]C[6,6]C[6])(CCO)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(NCH)	H(NN[6]C)	N(N[6]C[6,6]C[6])(CCO)(H)	N[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]CH)(NCH){1|C<4>,2|C<3>,4|H<1>}	H(NN[6]C)	117.9370	0.000	1	117.9370	0.000	1	117.9370	0.000	1	118.1735	5.273	8	119.4758	9.949	12	119.6055	9.339	13
956	856	951	0:SP2_SP-NON_SP3	N	N[6]	H	3:3:1:	4:4:3:	3:	N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:N-3:	N-3:	N(N[6]C[6]2)(CCO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)	H(NN[6]C)	N(N[6]C[6]2)(CCO)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH){1|C<3>,3|H<1>}	H(NN[6]C)	117.4400	0.000	1	117.4400	0.000	1	118.2073	6.141	7	118.1735	5.273	8	119.4758	9.949	12	119.6055	9.339	13
956	856	951	0:SP2_SP-NON_SP3	N	N[6]	H	3:3:1:	4:4:3:	3:	N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:N-3:	N-3:	N(N[6]C[6]2)(CC[5a]O)(H)	N[6](C[6]C[6]HH)2(NCH)	H(NN[6]C)	N(N[6]C[6]2)(CC[5a]O)(H)	N[6](C[6]C[6]HH)2(NCH){1|C<4>,4|H<1>}	H(NN[6]C)	115.0870	1.792	2	115.0870	3.211	2	118.2073	6.141	7	118.1735	5.273	8	119.4758	9.949	12	119.6055	9.339	13
956	856	951	0:SP2_SP-NON_SP3	N	N[6]	H	3:3:1:	4:4:3:	3:	N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:N-3:	N-3:	N(N[6]C[6]2)(CC[6a]O)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NCH)	H(NN[6]C)	N(N[6]C[6]2)(CC[6a]O)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6]HH)(NCH){2|C<3>,2|H<1>}	H(NN[6]C)	120.7590	0.000	1	120.7590	0.000	1	118.2073	6.141	7	118.1735	5.273	8	119.4758	9.949	12	119.6055	9.339	13
956	856	951	0:SP2_SP-NON_SP3	N	N[6]	H	3:3:1:	4:4:3:	3:	N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:N-3:	N-3:	N(N[6]C[6]2)(CC[6a]O)(H)	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(NCH)	H(NN[6]C)	N(N[6]C[6]2)(CC[6a]O)(H)	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(NCH){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	H(NN[6]C)	119.2370	0.000	1	119.2370	0.000	1	118.2073	6.141	7	118.1735	5.273	8	119.4758	9.949	12	119.6055	9.339	13
956	856	951	0:SP2_SP-NON_SP3	N	N[6]	H	3:3:1:	4:4:3:	3:	N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:N-3:	N-3:	N(N[6]C[6]2)(CC[6a]O)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH)	H(NN[6]C)	N(N[6]C[6]2)(CC[6a]O)(H)	N[6](C[6]C[6]CH)(C[6]C[6]HH)(NCH){1|C<3>,3|H<1>}	H(NN[6]C)	120.1760	0.000	1	120.1760	0.000	1	118.2073	6.141	7	118.1735	5.273	8	119.4758	9.949	12	119.6055	9.339	13
956	856	951	0:SP2_SP-NON_SP3	N	N[6]	H	3:3:1:	4:4:3:	3:	N[6]-3:C-3:H-1:	C[6]-4:C[6]-4:N-3:	N-3:	N(N[6]C[6]2)(CNO)(H)	N[6](C[6]C[6]HH)2(NCH)	H(NN[6]C)	N(N[6]C[6]2)(CNO)(H)	N[6](C[6]C[6]HH)2(NCH){1|O<2>,4|H<1>}	H(NN[6]C)	119.6650	0.000	1	119.6650	0.000	1	118.2073	6.141	7	118.1735	5.273	8	119.4758	9.949	12	119.6055	9.339	13
956	856	951	0:SP2_SP-NON_SP3	N	N[6]	H	3:4:1:	4:3:3:	3:	N[6]-3:C-4:H-1:	C[5,6]-4:C[6]-3:N-3:	N-3:	N(N[6]C[5,6]C[6])(CC[6a]HH)(H)	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]O)(NCH)	H(NN[6]C)	N(N[6]C[5,6]C[6])(CC[6a]HH)(H)	N[6](C[5,6]N[5,6]C[5]H)(C[6]C[6,6a]O)(NCH){2|C<3>,2|C<4>,2|H<1>}	H(NN[6]C)	124.3100	0.038	2	124.3100	0.001	2	124.3100	0.001	2	124.3100	0.001	2	119.4758	9.949	12	119.6055	9.339	13
956	856	951	0:SP2_SP-NON_SP3	N	N[6]	H	3:4:1:	4:4:3:	3:	N[6]-3:S-4:H-1:	C[6]-4:C[6]-4:N-3:	N-3:	N(N[6]C[6]2)(SCOO)(H)	N[6](C[6]C[6]HH)2(NHS)	H(NN[6]S)	N(N[6]C[6]2)(SCOO)(H)	N[6](C[6]C[6]HH)2(NHS){1|O<2>,4|H<1>}	H(NN[6]S)	122.2950	0.000	1	122.2950	0.000	1	122.2950	0.000	1	122.2950	0.000	1	119.4758	9.949	12	119.6055	9.339	13
956	856	951	0:SP3_SP-NON_SP2	N	N[6]	H	3:1:1:	3:3:3:	3:	N[6]-3:H-1:H-1:	C[6,6]-3:C[6,6]-3:N-3:	N-3:	N(N[6]C[6,6]2)(H)2	N[6](C[6,6]C[6,6]C[6])2(NHH)	H(NN[6]H)	N(N[6]C[6,6]2)(H)2	N[6](C[6,6]C[6,6]C[6])2(NHH){2|C<3>,3|C<4>,4|H<1>}	H(NN[6]H)	106.0235	0.602	2	106.0235	0.362	2	106.0235	0.362	2	108.9476	50.300	18	109.2474	41.357	23	109.2474	41.357	23
956	856	951	0:SP3_SP-NON_SP2	N	N[6]	H	3:1:1:	3:3:3:	3:	N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(N[6]C[6]2)(H)2	N[6](C[6]C[5]C[6])(C[6]C[6]N)(NHH)	H(NN[6]H)	N(N[6]C[6]2)(H)2	N[6](C[6]C[5]C[6])(C[6]C[6]N)(NHH){1|C<2>,1|H<1>,3|C<3>}	H(NN[6]H)	106.5800	7.008	4	106.5800	49.112	4	109.3131	55.700	16	108.9476	50.300	18	109.2474	41.357	23	109.2474	41.357	23
956	856	951	0:SP3_SP-NON_SP2	N	N[6]	H	3:1:1:	3:3:3:	3:	N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[5a])(C[6]C[6a]C[6])(NHH)	H(NN[6]H)	N(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]C[5a])(C[6]C[6a]C[6])(NHH){1|H<1>,6|C<3>}	H(NN[6]H)	120.0325	0.018	2	120.0325	0.000	2	109.3131	55.700	16	108.9476	50.300	18	109.2474	41.357	23	109.2474	41.357	23
956	856	951	0:SP3_SP-NON_SP2	N	N[6]	H	3:1:1:	3:3:3:	3:	N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)(C[6]N[6]C)(NHH)	H(NN[6]H)	N(N[6]C[6]2)(H)2	N[6](C[6]C[6,6a]O)(C[6]N[6]C)(NHH){1|H<1>,2|C<3>}	H(NN[6]H)	103.8960	1.393	2	103.8960	1.940	2	109.3131	55.700	16	108.9476	50.300	18	109.2474	41.357	23	109.2474	41.357	23
956	856	951	0:SP3_SP-NON_SP2	N	N[6]	H	3:1:1:	3:3:3:	3:	N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(NHH)	H(NN[6]H)	N(N[6]C[6]2)(H)2	N[6](C[6]C[6]H)2(NHH){1|C<3>,2|H<1>}	H(NN[6]H)	120.0375	0.016	2	120.0375	0.000	2	109.3131	55.700	16	108.9476	50.300	18	109.2474	41.357	23	109.2474	41.357	23
956	856	951	0:SP3_SP-NON_SP2	N	N[6]	H	3:1:1:	3:3:3:	3:	N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(N[6]C[6]2)(H)2	N[6](C[6]C[6]O)(C[6]N[6]S)(NHH)	H(NN[6]H)	N(N[6]C[6]2)(H)2	N[6](C[6]C[6]O)(C[6]N[6]S)(NHH){1|C<3>,1|H<1>,1|N<2>}	H(NN[6]H)	106.4938	4.356	4	105.7928	12.694	6	109.3131	55.700	16	108.9476	50.300	18	109.2474	41.357	23	109.2474	41.357	23
956	856	951	0:SP3_SP-NON_SP2	N	N[6]	H	3:1:1:	3:3:3:	3:	N[6]-3:H-1:H-1:	C[6]-3:C[6]-3:N-3:	N-3:	N(N[6]C[6]2)(H)2	N[6](C[6]C[6]O)(C[6]N[6]S)(NHH)	H(NN[6]H)	N(N[6]C[6]2)(H)2	N[6](C[6]C[6]O)(C[6]N[6]S)(NHH){1|C<4>,1|H<1>,1|N<2>}	H(NN[6]H)	104.3910	0.810	2	105.7928	12.694	6	109.3131	55.700	16	108.9476	50.300	18	109.2474	41.357	23	109.2474	41.357	23
956	856	951	0:SP3_SP-NON_SP2	N	N[6]	H	3:1:1:	4:3:3:	3:	N[6]-3:H-1:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]CC)(C[6]C[6]O)(NHH)	H(NN[6]H)	N(N[6]C[6]2)(H)2	N[6](C[6]C[5a,6]CC)(C[6]C[6]O)(NHH){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	H(NN[6]H)	106.7610	0.406	2	106.7610	0.165	2	106.7610	0.165	2	106.7610	0.165	2	109.2474	41.357	23	109.2474	41.357	23
956	856	951	0:SP3_SP-NON_SP2	N	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C-3:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(N[6]C[6]2)(CC[6a]O)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH)	H(NN[6]C)	N(N[6]C[6]2)(CC[6a]O)(H)	N[6](C[6]C[6]HH)(C[6]C[6]O)(NCH){1|N<3>,1|O<1>,2|H<1>}	H(NN[6]C)	111.0400	0.000	1	111.0400	0.000	1	111.0400	0.000	1	112.5605	4.624	2	109.2474	41.357	23	109.2474	41.357	23
956	856	951	0:SP3_SP-NON_SP2	N	N[6]	H	3:3:1:	4:3:3:	3:	N[6]-3:C[6a]-3:H-1:	C[6,6]-4:C[6]-3:N-3:	N-3:	N(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(NC[6a]H)	H(NC[6a]N[6])	N(N[6]C[6,6]C[6])(C[6a]C[6a]2)(H)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[6,6a]O)(NC[6a]H){5|C<3>}	H(NC[6a]N[6])	114.0810	0.000	1	114.0810	0.000	1	114.0810	0.000	1	112.5605	4.624	2	109.2474	41.357	23	109.2474	41.357	23
956	856	951	0:SP3_SP-NON_SP2	N	N[6]	H	3:4:1:	4:3:3:	3:	N[6]-3:S-4:H-1:	C[6]-4:C[6]-3:N-3:	N-3:	N(N[6]C[6]2)(SC[6a]OO)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(NHS)	H(NN[6]S)	N(N[6]C[6]2)(SC[6a]OO)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(NHS){1|H<1>,4|C<3>}	H(NN[6]S)	112.9920	0.000	1	112.9920	0.000	1	112.9920	0.000	1	112.9920	0.000	1	109.2474	41.357	23	109.2474	41.357	23
956	856	951	0:SP3_SP-NON_SP3	N	N[6]	H	3:1:1:	4:4:3:	3:	N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	N-3:	N(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(NHH)	H(NN[6]H)	N(N[6]C[6]2)(H)2	N[6](C[6]C[6]CH)(C[6]C[6]HH)(NHH){1|N<3>,4|H<1>}	H(NN[6]H)	109.4315	0.163	2	109.4315	0.027	2	109.3095	0.032	4	109.3095	0.032	4	113.3170	22.857	9	113.3170	22.857	9
956	856	951	0:SP3_SP-NON_SP3	N	N[6]	H	3:1:1:	4:4:3:	3:	N[6]-3:H-1:H-1:	C[6]-4:C[6]-4:N-3:	N-3:	N(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(NHH)	H(NN[6]H)	N(N[6]C[6]2)(H)2	N[6](C[6]C[6]HH)2(NHH){1|C<4>,1|N<3>,3|H<1>}	H(NN[6]H)	109.1875	0.100	2	109.1875	0.010	2	109.3095	0.032	4	109.3095	0.032	4	113.3170	22.857	9	113.3170	22.857	9
956	856	951	0:SP3_SP-NON_SP3	N	N[6]	H	3:4:1:	4:4:3:	3:	N[6]-3:S-4:H-1:	C[6]-4:C[6]-4:N-3:	N-3:	N(N[6]C[6]2)(SC[6a]OO)(H)	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(NHS)	H(NN[6]S)	N(N[6]C[6]2)(SC[6a]OO)(H)	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(NHS){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	H(NN[6]S)	112.1740	0.000	1	112.1740	0.000	1	116.4682	22.355	4	116.4682	22.355	4	113.3170	22.857	9	113.3170	22.857	9
956	856	951	0:SP3_SP-NON_SP3	N	N[6]	H	3:4:1:	4:4:3:	3:	N[6]-3:S-4:H-1:	C[6]-4:C[6]-4:N-3:	N-3:	N(N[6]C[6]2)(SC[6a]OO)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(NHS)	H(NN[6]S)	N(N[6]C[6]2)(SC[6a]OO)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(NHS){6|C<3>}	H(NN[6]S)	116.5620	0.000	1	116.5620	0.000	1	116.4682	22.355	4	116.4682	22.355	4	113.3170	22.857	9	113.3170	22.857	9
956	856	951	0:SP3_SP-NON_SP3	N	N[6]	H	3:4:1:	4:4:3:	3:	N[6]-3:S-4:H-1:	C[6]-4:C[6]-4:N-3:	N-3:	N(N[6]C[6]2)(SC[6a]OO)(H)	N[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(NHS)	H(NN[6]S)	N(N[6]C[6]2)(SC[6a]OO)(H)	N[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(NHS){2|H<1>,4|C<3>}	H(NN[6]S)	114.1080	0.000	1	114.1080	0.000	1	116.4682	22.355	4	116.4682	22.355	4	113.3170	22.857	9	113.3170	22.857	9
956	856	951	0:SP3_SP-NON_SP3	N	N[6]	H	3:4:1:	4:4:3:	3:	N[6]-3:S-4:H-1:	C[6]-4:C[6]-4:N-3:	N-3:	N(N[6]C[6]2)(SC[6a]OO)(H)	N[6](C[6]C[6]HH)2(NHS)	H(NN[6]S)	N(N[6]C[6]2)(SC[6a]OO)(H)	N[6](C[6]C[6]HH)2(NHS){1|N<3>,4|H<1>}	H(NN[6]S)	123.0290	0.000	1	123.0290	0.000	1	116.4682	22.355	4	116.4682	22.355	4	113.3170	22.857	9	113.3170	22.857	9
956	856	951	0:SP3_SP-NON_SP3	N	N[6]	H	4:3:1:	4:4:3:	3:	P-4:N[6]-3:H-1:	C[6]-4:C[6]-4:N-3:	N-3:	N(PC[6a]2Ru)(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)2(NHP)	H(NN[6]P)	N(PC[6a]2Ru)(N[6]C[6]2)(H)	N[6](C[6]C[6]HH)2(NHP){1|C<4>,4|H<1>}	H(NN[6]P)	116.7420	0.000	1	116.7420	0.000	1	116.7420	0.000	1	116.7420	0.000	1	113.3170	22.857	9	113.3170	22.857	9
956	856	952	0:SP2_SP2_SP3	N	N[6]	S	3:3:4:	3:3:3:	3:3:1:1:	C[6a]-3:N[6]-3:S-4:	C[6]-3:C[6]-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(C[6a]C[6a]2)(N[6]C[6]2)(SC[6a]OO)	N[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]S)	S(C[6a]C[6a]2)(NC[6a]N[6])(O)2	N(C[6a]C[6a]2)(N[6]C[6]2)(SC[6a]OO)	N[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]S){1|C<3>,2|H<1>}	S(C[6a]C[6a]2)(NC[6a]N[6])(O)2	114.8970	0.000	1	114.8970	0.000	1	114.8970	0.000	1	114.8970	0.000	1	114.8970	0.000	1	114.8970	0.000	1
956	856	952	0:SP2_SP3_SP3	N	N[6]	S	3:4:1:	4:4:3:	4:3:1:1:	N[6]-3:S-4:H-1:	C[6]-4:C[6]-4:N-3:	C-4:N-3:O-1:O-1:	N(N[6]C[6]2)(SCOO)(H)	N[6](C[6]C[6]HH)2(NHS)	S(CC[5]HH)(NN[6]H)(O)2	N(N[6]C[6]2)(SCOO)(H)	N[6](C[6]C[6]HH)2(NHS){1|O<2>,4|H<1>}	S(CC[5]HH)(NN[6]H)(O)2	118.2050	0.000	1	118.2050	0.000	1	118.2050	0.000	1	118.2050	0.000	1	118.2050	0.000	1	118.2050	0.000	1
956	856	952	0:SP3_SP2_SP3	N	N[6]	S	3:4:1:	4:3:3:	3:3:1:1:	N[6]-3:S-4:H-1:	C[6]-4:C[6]-3:N-3:	C[6a]-3:N-3:O-1:O-1:	N(N[6]C[6]2)(SC[6a]OO)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(NHS)	S(C[6a]C[6a]2)(NN[6]H)(O)2	N(N[6]C[6]2)(SC[6a]OO)(H)	N[6](C[6]C[6,6a]CH)(C[6]C[6a]C[6])(NHS){1|H<1>,4|C<3>}	S(C[6a]C[6a]2)(NN[6]H)(O)2	122.8080	0.000	1	122.8080	0.000	1	122.8080	0.000	1	122.8080	0.000	1	122.8080	0.000	1	122.8080	0.000	1
956	856	952	0:SP3_SP3_SP3	N	N[6]	S	3:4:1:	4:4:3:	3:3:1:1:	N[6]-3:S-4:H-1:	C[6]-4:C[6]-4:N-3:	C[6a]-3:N-3:O-1:O-1:	N(N[6]C[6]2)(SC[6a]OO)(H)	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(NHS)	S(C[6a]C[6a]2)(NN[6]H)(O)2	N(N[6]C[6]2)(SC[6a]OO)(H)	N[6](C[6]C[6,6a]C[5a]H)(C[6]C[6]HH)(NHS){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	S(C[6a]C[6a]2)(NN[6]H)(O)2	113.9370	0.000	1	113.9370	0.000	1	112.9940	1.227	4	112.9940	1.227	4	112.9940	1.227	4	112.9940	1.227	4
956	856	952	0:SP3_SP3_SP3	N	N[6]	S	3:4:1:	4:4:3:	3:3:1:1:	N[6]-3:S-4:H-1:	C[6]-4:C[6]-4:N-3:	C[6a]-3:N-3:O-1:O-1:	N(N[6]C[6]2)(SC[6a]OO)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(NHS)	S(C[6a]C[6a]2)(NN[6]H)(O)2	N(N[6]C[6]2)(SC[6a]OO)(H)	N[6](C[6]C[6,6a]C[6a]H)(C[6]C[6a]O[6]H)(NHS){6|C<3>}	S(C[6a]C[6a]2)(NN[6]H)(O)2	112.1730	0.000	1	112.1730	0.000	1	112.9940	1.227	4	112.9940	1.227	4	112.9940	1.227	4	112.9940	1.227	4
956	856	952	0:SP3_SP3_SP3	N	N[6]	S	3:4:1:	4:4:3:	3:3:1:1:	N[6]-3:S-4:H-1:	C[6]-4:C[6]-4:N-3:	C[6a]-3:N-3:O-1:O-1:	N(N[6]C[6]2)(SC[6a]OO)(H)	N[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(NHS)	S(C[6a]C[6a]2)(NN[6]H)(O)2	N(N[6]C[6]2)(SC[6a]OO)(H)	N[6](C[6]C[6,6a]N[5a]H)(C[6]C[6]HH)(NHS){2|H<1>,4|C<3>}	S(C[6a]C[6a]2)(NN[6]H)(O)2	111.9060	0.000	1	111.9060	0.000	1	112.9940	1.227	4	112.9940	1.227	4	112.9940	1.227	4	112.9940	1.227	4
956	856	952	0:SP3_SP3_SP3	N	N[6]	S	3:4:1:	4:4:3:	3:3:1:1:	N[6]-3:S-4:H-1:	C[6]-4:C[6]-4:N-3:	C[6a]-3:N-3:O-1:O-1:	N(N[6]C[6]2)(SC[6a]OO)(H)	N[6](C[6]C[6]HH)2(NHS)	S(C[6a]C[6a]2)(NN[6]H)(O)2	N(N[6]C[6]2)(SC[6a]OO)(H)	N[6](C[6]C[6]HH)2(NHS){1|N<3>,4|H<1>}	S(C[6a]C[6a]2)(NN[6]H)(O)2	113.9600	0.000	1	113.9600	0.000	1	112.9940	1.227	4	112.9940	1.227	4	112.9940	1.227	4	112.9940	1.227	4
956	856	984	0:SP2_SP-NON_SP3	N	N[6]	Ga	3:4:3:	4:4:3:	3:3:3:4:	C[6,6]-3:Ga-4:N[6]-3:	C[6]-4:C[6]-4:N-3:	C[6a]-3:C[6a]-3:N-3:C-4:	N(C[6,6]C[3x6]2)(GaC[6a]2C)(N[6]C[6]2)	N[6](C[6]C[6]HH)2(NC[6,6]Ga)	Ga(C[6a]C[6a]2)2(NC[6,6]N[6])(CH3)	N(C[6,6]C[3x6]2)(GaC[6a]2C)(N[6]C[6]2)	N[6](C[6]C[6]HH)2(NC[6,6]Ga){1|C<4>,4|H<1>}	Ga(C[6a]C[6a]2)2(NC[6,6]N[6])(CH3)	122.3930	0.000	1	122.3930	0.000	1	122.3930	0.000	1	122.3930	0.000	1	122.3930	0.000	1	122.3930	0.000	1
956	857	880	0:SP2_SP2_SP3	N	Ge[4]	Si	3:3:4:	4:2:3:	3:4:4:4:	Ge[4]-3:C[6a]-3:Si-4:	Ge[4,4]-4:Ge[4]-2:N-3:	N-3:C-4:C-4:C-4:	N(Ge[4]Ge[4,4]Ge[4])(C[6a]C[6a]2)(SiC3)	Ge[4](Ge[4,4]Ge[4,4]Ge[4]N)(Ge[4]Ge[4,4])(NC[6a]Si)	Si(NC[6a]Ge[4])(CH3)3	N(Ge[4]Ge[4,4]Ge[4])(C[6a]C[6a]2)(SiC3)	Ge[4](Ge[4,4]Ge[4,4]Ge[4]N)(Ge[4]Ge[4,4])(NC[6a]Si){1|Ge<3>,1|N<3>}	Si(NC[6a]Ge[4])(CH3)3	123.9470	0.000	1	123.9470	0.000	1	123.9470	0.000	1	123.9470	0.000	1	120.2378	92.210	5	120.2378	92.210	5
956	857	880	0:SP2_SP2_SP3	N	Ge[4]	Si	3:4:4:	3:3:3:	3:4:4:4:	Ge[4]-3:Si-4:Si-4:	N[4]-3:N[4]-3:N-3:	N-3:C-4:C-4:C-4:	N(Ge[4]N[4]2)(SiC3)2	Ge[4](N[4]C[4]C)2(NSi2)	Si(NGe[4]Si)(CH3)3	N(Ge[4]N[4]2)(SiC3)2	Ge[4](N[4]C[4]C)2(NSi2){1|C<4>}	Si(NGe[4]Si)(CH3)3	118.7740	15.528	2	118.7740	241.121	2	119.3105	117.215	4	119.3105	117.215	4	120.2378	92.210	5	120.2378	92.210	5
956	857	880	0:SP2_SP2_SP3	N	Ge[4]	Si	3:4:4:	3:3:3:	3:4:4:4:	Ge[4]-3:Si-4:Si-4:	N[4]-3:N[4]-3:N-3:	N-3:C-4:C-4:C-4:	N(Ge[4]N[4]2)(SiC3)2	Ge[4](N[4]C[4]Si)2(NSi2)	Si(NGe[4]Si)(CH3)3	N(Ge[4]N[4]2)(SiC3)2	Ge[4](N[4]C[4]Si)2(NSi2){1|C<4>}	Si(NGe[4]Si)(CH3)3	119.8470	10.458	2	119.8470	109.372	2	119.3105	117.215	4	119.3105	117.215	4	120.2378	92.210	5	120.2378	92.210	5
956	863	863	0:SP2_SP2_SP2	N	O	O	1:1:1:	3:	3:	C-1:O-1:O-1:	N-3:	N-3:	N(C)(O)2	O(NCO)	O(NCO)	N(C)(O)2	O(NCO)	O(NCO)	128.5090	0.000	1	128.5090	0.000	1	128.5090	0.000	1	119.9730	7.212	8031	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	1:1:1:	3:	3:	O-1:O-1:O-1:	N-3:	N-3:	N(O)3	O(NOO)	O(NOO)	N(O)3	O(NOO)	O(NOO)	119.9720	2.684	8030	119.9720	7.204	8030	119.9720	7.204	8030	119.9730	7.212	8031	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	C-2:O-1:O-1:	N-3:	N-3:	N(CC)(O)2	O(NCO)	O(NCO)	N(CC)(O)2	O(NCO)	O(NCO)	132.1440	0.492	2	132.1440	0.242	2	132.1440	0.242	2	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	N-2:O-1:O-1:	N-3:	N-3:	N(NC)(O)2	O(NNO)	O(NNO)	N(NC)(O)2	O(NNO)	O(NNO)	121.0139	1.712	41	121.0139	2.932	41	121.1566	2.477	307	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	N-2:O-1:O-1:	N-3:	N-3:	N(NC[5])(O)2	O(NNO)	O(NNO)	N(NC[5])(O)2	O(NNO)	O(NNO)	121.5838	1.307	38	121.5838	1.707	38	121.1566	2.477	307	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	N-2:O-1:O-1:	N-3:	N-3:	N(NC[5a])(O)2	O(NNO)	O(NNO)	N(NC[5a])(O)2	O(NNO)	O(NNO)	120.3571	0.905	119	120.3571	0.820	119	121.1566	2.477	307	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	N-2:O-1:O-1:	N-3:	N-3:	N(NC[6])(O)2	O(NNO)	O(NNO)	N(NC[6])(O)2	O(NNO)	O(NNO)	121.2188	1.728	18	121.2188	2.987	18	121.1566	2.477	307	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	N-2:O-1:O-1:	N-3:	N-3:	N(NC[6a])(O)2	O(NNO)	O(NNO)	N(NC[6a])(O)2	O(NNO)	O(NNO)	120.0120	0.528	5	120.0120	0.278	5	121.1566	2.477	307	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	N-2:O-1:O-1:	N-3:	N-3:	N(NN)(O)2	O(NNO)	O(NNO)	N(NN)(O)2	O(NNO)	O(NNO)	122.8071	1.680	56	122.8071	2.823	56	121.1566	2.477	307	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	N-2:O-1:O-1:	N-3:	N-3:	N(NN[5])(O)2	O(NNO)	O(NNO)	N(NN[5])(O)2	O(NNO)	O(NNO)	120.8433	0.954	20	120.8433	0.911	20	121.1566	2.477	307	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	N-2:O-1:O-1:	N-3:	N-3:	N(NN[5a])(O)2	O(NNO)	O(NNO)	N(NN[5a])(O)2	O(NNO)	O(NNO)	121.4751	1.079	10	121.4751	1.165	10	121.1566	2.477	307	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	N-3:	N-3:	N(OB[6a])(O)2	O(NOO)	O(NOO)	N(OB[6a])(O)2	O(NOO)	O(NOO)	126.6650	0.000	1	126.6650	0.000	1	124.3703	14.399	268	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	N-3:	N-3:	N(OC)(O)2	O(NOO)	O(NOO)	N(OC)(O)2	O(NOO)	O(NOO)	129.3823	1.015	49	129.3823	1.031	49	124.3703	14.399	268	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	N-3:	N-3:	N(OC[3x6])(O)2	O(NOO)	O(NOO)	N(OC[3x6])(O)2	O(NOO)	O(NOO)	129.3060	0.000	1	129.3060	0.000	1	124.3703	14.399	268	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	N-3:	N-3:	N(OC[4])(O)2	O(NOO)	O(NOO)	N(OC[4])(O)2	O(NOO)	O(NOO)	130.5435	0.299	2	130.5435	0.089	2	124.3703	14.399	268	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	N-3:	N-3:	N(OC[5,6])(O)2	O(NOO)	O(NOO)	N(OC[5,6])(O)2	O(NOO)	O(NOO)	129.1250	0.000	1	129.1250	0.000	1	124.3703	14.399	268	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	N-3:	N-3:	N(OC[5])(O)2	O(NOO)	O(NOO)	N(OC[5])(O)2	O(NOO)	O(NOO)	129.5095	0.360	2	129.5095	0.130	2	124.3703	14.399	268	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	N-3:	N-3:	N(OC[6,6])(O)2	O(NOO)	O(NOO)	N(OC[6,6])(O)2	O(NOO)	O(NOO)	129.3330	0.000	1	129.3330	0.000	1	124.3703	14.399	268	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	N-3:	N-3:	N(OC[6])(O)2	O(NOO)	O(NOO)	N(OC[6])(O)2	O(NOO)	O(NOO)	129.4395	0.641	6	129.4395	0.411	6	124.3703	14.399	268	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	N-3:	N-3:	N(OCa)(O)2	O(NOO)	O(NOO)	N(OCa)(O)2	O(NOO)	O(NOO)	119.3510	0.000	1	119.3510	0.000	1	124.3703	14.399	268	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	N-3:	N-3:	N(OCd)(O)2	O(NOO)	O(NOO)	N(OCd)(O)2	O(NOO)	O(NOO)	116.8230	6.604	2	116.8230	43.618	2	124.3703	14.399	268	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	N-3:	N-3:	N(OCo)(O)2	O(NOO)	O(NOO)	N(OCo)(O)2	O(NOO)	O(NOO)	121.2549	0.787	18	121.2549	0.619	18	124.3703	14.399	268	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	N-3:	N-3:	N(OCr)(O)2	O(NOO)	O(NOO)	N(OCr)(O)2	O(NOO)	O(NOO)	119.6760	0.000	1	119.6760	0.000	1	124.3703	14.399	268	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	N-3:	N-3:	N(OCu)(O)2	O(NOO)	O(NOO)	N(OCu)(O)2	O(NOO)	O(NOO)	120.9254	1.392	24	120.9254	1.938	24	124.3703	14.399	268	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	N-3:	N-3:	N(ODy)(O)2	O(NOO)	O(NOO)	N(ODy)(O)2	O(NOO)	O(NOO)	123.3100	0.000	1	123.3100	0.000	1	124.3703	14.399	268	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	N-3:	N-3:	N(OEr)(O)2	O(NOO)	O(NOO)	N(OEr)(O)2	O(NOO)	O(NOO)	123.2960	0.000	1	123.2960	0.000	1	124.3703	14.399	268	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	N-3:	N-3:	N(OFe)(O)2	O(NOO)	O(NOO)	N(OFe)(O)2	O(NOO)	O(NOO)	122.7446	1.042	5	122.7446	1.086	5	124.3703	14.399	268	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	N-3:	N-3:	N(OGa)(O)2	O(NOO)	O(NOO)	N(OGa)(O)2	O(NOO)	O(NOO)	126.9038	1.169	5	126.9038	1.367	5	124.3703	14.399	268	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	N-3:	N-3:	N(OGa[5,6])(O)2	O(NOO)	O(NOO)	N(OGa[5,6])(O)2	O(NOO)	O(NOO)	122.2925	0.449	2	122.2925	0.202	2	124.3703	14.399	268	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	N-3:	N-3:	N(OGe)(O)2	O(NOO)	O(NOO)	N(OGe)(O)2	O(NOO)	O(NOO)	125.8452	0.319	6	125.8452	0.102	6	124.3703	14.399	268	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	N-3:	N-3:	N(OH)(O)2	O(NOO)	O(NOO)	N(OH)(O)2	O(NOO)	O(NOO)	127.0106	2.561	23	127.0106	6.560	23	124.3703	14.399	268	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	N-3:	N-3:	N(OIr)(O)2	O(NOO)	O(NOO)	N(OIr)(O)2	O(NOO)	O(NOO)	121.2027	3.573	3	121.2027	12.766	3	124.3703	14.399	268	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	N-3:	N-3:	N(OMn)(O)2	O(NOO)	O(NOO)	N(OMn)(O)2	O(NOO)	O(NOO)	121.3668	1.520	19	121.3668	2.312	19	124.3703	14.399	268	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	N-3:	N-3:	N(OMo)(O)2	O(NOO)	O(NOO)	N(OMo)(O)2	O(NOO)	O(NOO)	119.2637	4.776	3	119.2637	22.811	3	124.3703	14.399	268	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	N-3:	N-3:	N(ON)(O)2	O(NOO)	O(NOO)	N(ON)(O)2	O(NOO)	O(NOO)	106.7100	0.000	1	106.7100	0.000	1	124.3703	14.399	268	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	N-3:	N-3:	N(ONi)(O)2	O(NOO)	O(NOO)	N(ONi)(O)2	O(NOO)	O(NOO)	121.5715	1.429	28	121.5715	2.043	28	124.3703	14.399	268	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	N-3:	N-3:	N(OPd)(O)2	O(NOO)	O(NOO)	N(OPd)(O)2	O(NOO)	O(NOO)	123.8294	0.900	35	123.8294	0.810	35	124.3703	14.399	268	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	N-3:	N-3:	N(OPt)(O)2	O(NOO)	O(NOO)	N(OPt)(O)2	O(NOO)	O(NOO)	124.2872	1.812	6	124.2872	3.284	6	124.3703	14.399	268	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	N-3:	N-3:	N(ORe)(O)2	O(NOO)	O(NOO)	N(ORe)(O)2	O(NOO)	O(NOO)	123.8357	0.924	6	123.8357	0.854	6	124.3703	14.399	268	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	N-3:	N-3:	N(ORh)(O)2	O(NOO)	O(NOO)	N(ORh)(O)2	O(NOO)	O(NOO)	122.5715	0.425	4	122.5715	0.181	4	124.3703	14.399	268	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	N-3:	N-3:	N(ORu)(O)2	O(NOO)	O(NOO)	N(ORu)(O)2	O(NOO)	O(NOO)	122.2283	1.981	3	122.2283	3.924	3	124.3703	14.399	268	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	N-3:	N-3:	N(OSm)(O)2	O(NOO)	O(NOO)	N(OSm)(O)2	O(NOO)	O(NOO)	121.7050	0.000	1	121.7050	0.000	1	124.3703	14.399	268	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	N-3:	N-3:	N(OSn)(O)2	O(NOO)	O(NOO)	N(OSn)(O)2	O(NOO)	O(NOO)	125.6297	0.469	3	125.6297	0.220	3	124.3703	14.399	268	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:	O-2:O-1:O-1:	N-3:	N-3:	N(OZn)(O)2	O(NOO)	O(NOO)	N(OZn)(O)2	O(NOO)	O(NOO)	122.6762	0.170	4	122.6762	0.029	4	124.3703	14.399	268	122.6873	10.868	577	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	N-3:	N-3:	N(CCC)(O)2	O(NCO)	O(NCO)	N(CCC)(O)2	O(NCO)	O(NCO)	122.3336	1.224	73	122.3336	1.499	73	121.9650	3.343	409	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	N-3:	N-3:	N(CCH)(O)2	O(NCO)	O(NCO)	N(CCH)(O)2	O(NCO)	O(NCO)	122.7664	1.400	54	122.7664	1.959	54	121.9650	3.343	409	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	N-3:	N-3:	N(CCN)(O)2	O(NCO)	O(NCO)	N(CCN)(O)2	O(NCO)	O(NCO)	121.3379	1.674	45	121.3379	2.803	45	121.9650	3.343	409	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	N-3:	N-3:	N(CC[4]H)(O)2	O(NCO)	O(NCO)	N(CC[4]H)(O)2	O(NCO)	O(NCO)	122.2740	0.000	1	122.2740	0.000	1	121.9650	3.343	409	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	N-3:	N-3:	N(CC[4a]H)(O)2	O(NCO)	O(NCO)	N(CC[4a]H)(O)2	O(NCO)	O(NCO)	123.0873	0.564	3	123.0873	0.318	3	121.9650	3.343	409	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	N-3:	N-3:	N(CC[5]2)(O)2	O(NCO)	O(NCO)	N(CC[5]2)(O)2	O(NCO)	O(NCO)	124.9100	0.000	1	124.9100	0.000	1	121.9650	3.343	409	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	N-3:	N-3:	N(CC[5]C)(O)2	O(NCO)	O(NCO)	N(CC[5]C)(O)2	O(NCO)	O(NCO)	119.2983	3.006	7	119.2983	9.036	7	121.9650	3.343	409	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	N-3:	N-3:	N(CC[5]H)(O)2	O(NCO)	O(NCO)	N(CC[5]H)(O)2	O(NCO)	O(NCO)	120.6330	1.576	7	120.6330	2.484	7	121.9650	3.343	409	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	N-3:	N-3:	N(CC[5]N)(O)2	O(NCO)	O(NCO)	N(CC[5]N)(O)2	O(NCO)	O(NCO)	121.0752	0.740	32	121.0752	0.547	32	121.9650	3.343	409	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	N-3:	N-3:	N(CC[5a]2)(O)2	O(NCO)	O(NCO)	N(CC[5a]2)(O)2	O(NCO)	O(NCO)	124.8308	0.898	31	124.8308	0.806	31	121.9650	3.343	409	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	N-3:	N-3:	N(CC[5a]C)(O)2	O(NCO)	O(NCO)	N(CC[5a]C)(O)2	O(NCO)	O(NCO)	117.9740	0.786	4	117.9740	0.617	4	121.9650	3.343	409	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	N-3:	N-3:	N(CC[5a]C[5])(O)2	O(NCO)	O(NCO)	N(CC[5a]C[5])(O)2	O(NCO)	O(NCO)	124.8102	0.411	6	124.8102	0.169	6	121.9650	3.343	409	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	N-3:	N-3:	N(CC[5a]N)(O)2	O(NCO)	O(NCO)	N(CC[5a]N)(O)2	O(NCO)	O(NCO)	120.6662	0.947	64	120.6662	0.897	64	121.9650	3.343	409	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	N-3:	N-3:	N(CC[6]C)(O)2	O(NCO)	O(NCO)	N(CC[6]C)(O)2	O(NCO)	O(NCO)	120.7230	0.000	1	120.7230	0.000	1	121.9650	3.343	409	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	N-3:	N-3:	N(CC[6]H)(O)2	O(NCO)	O(NCO)	N(CC[6]H)(O)2	O(NCO)	O(NCO)	122.5680	0.000	1	122.5680	0.000	1	121.9650	3.343	409	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	N-3:	N-3:	N(CC[6]N)(O)2	O(NCO)	O(NCO)	N(CC[6]N)(O)2	O(NCO)	O(NCO)	121.5596	0.734	10	121.5596	0.539	10	121.9650	3.343	409	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	N-3:	N-3:	N(CC[6a]2)(O)2	O(NCO)	O(NCO)	N(CC[6a]2)(O)2	O(NCO)	O(NCO)	116.6170	0.000	1	116.6170	0.000	1	121.9650	3.343	409	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	N-3:	N-3:	N(CC[6a]C)(O)2	O(NCO)	O(NCO)	N(CC[6a]C)(O)2	O(NCO)	O(NCO)	120.5828	2.768	4	120.5828	7.663	4	121.9650	3.343	409	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	N-3:	N-3:	N(CC[6a]N)(O)2	O(NCO)	O(NCO)	N(CC[6a]N)(O)2	O(NCO)	O(NCO)	124.4090	0.021	2	124.4090	0.000	2	121.9650	3.343	409	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	N-3:	N-3:	N(CHH)(O)2	O(NCO)	O(NCO)	N(CHH)(O)2	O(NCO)	O(NCO)	124.4480	0.000	1	124.4480	0.000	1	121.9650	3.343	409	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	N-3:	N-3:	N(CHN)(O)2	O(NCO)	O(NCO)	N(CHN)(O)2	O(NCO)	O(NCO)	120.3156	0.622	10	120.3156	0.387	10	121.9650	3.343	409	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	N-3:	N-3:	N(CNN)(O)2	O(NCO)	O(NCO)	N(CNN)(O)2	O(NCO)	O(NCO)	123.0226	1.228	33	123.0226	1.509	33	121.9650	3.343	409	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C-3:O-1:O-1:	N-3:	N-3:	N(CN[5a]N)(O)2	O(NCO)	O(NCO)	N(CN[5a]N)(O)2	O(NCO)	O(NCO)	121.4576	0.951	18	121.4576	0.905	18	121.9650	3.343	409	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[5]-3:O-1:O-1:	N-3:	N-3:	N(C[5]C[5,5]C[5])(O)2	O(NC[5]O)	O(NC[5]O)	N(C[5]C[5,5]C[5])(O)2	O(NC[5]O)	O(NC[5]O)	121.6520	0.790	4	121.6520	0.624	4	123.9707	1.548	148	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[5]-3:O-1:O-1:	N-3:	N-3:	N(C[5]C[5,6]C[5])(O)2	O(NC[5]O)	O(NC[5]O)	N(C[5]C[5,6]C[5])(O)2	O(NC[5]O)	O(NC[5]O)	119.1160	2.304	2	119.1160	5.307	2	123.9707	1.548	148	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[5]-3:O-1:O-1:	N-3:	N-3:	N(C[5]C[5,6a]N[5])(O)2	O(NC[5]O)	O(NC[5]O)	N(C[5]C[5,6a]N[5])(O)2	O(NC[5]O)	O(NC[5]O)	123.2487	0.951	3	123.2487	0.904	3	123.9707	1.548	148	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[5]-3:O-1:O-1:	N-3:	N-3:	N(C[5]C[5]2)(O)2	O(NC[5]O)	O(NC[5]O)	N(C[5]C[5]2)(O)2	O(NC[5]O)	O(NC[5]O)	123.7523	1.237	25	123.7523	1.531	25	123.9707	1.548	148	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[5]-3:O-1:O-1:	N-3:	N-3:	N(C[5]C[5]N[5])(O)2	O(NC[5]O)	O(NC[5]O)	N(C[5]C[5]N[5])(O)2	O(NC[5]O)	O(NC[5]O)	124.0775	1.096	78	124.0775	1.202	78	123.9707	1.548	148	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[5]-3:O-1:O-1:	N-3:	N-3:	N(C[5]C[5]O[5])(O)2	O(NC[5]O)	O(NC[5]O)	N(C[5]C[5]O[5])(O)2	O(NC[5]O)	O(NC[5]O)	125.0610	0.000	1	125.0610	0.000	1	123.9707	1.548	148	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[5]-3:O-1:O-1:	N-3:	N-3:	N(C[5]N[5]2)(O)2	O(NC[5]O)	O(NC[5]O)	N(C[5]N[5]2)(O)2	O(NC[5]O)	O(NC[5]O)	124.4619	0.465	35	124.4619	0.216	35	123.9707	1.548	148	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[5a]-3:O-1:O-1:	N-3:	N-3:	N(C[5a]C[5,5a]C[5a])(O)2	O(NC[5a]O)	O(NC[5a]O)	N(C[5a]C[5,5a]C[5a])(O)2	O(NC[5a]O)	O(NC[5a]O)	122.2370	0.000	1	122.2370	0.000	1	124.4153	1.395	789	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[5a]-3:O-1:O-1:	N-3:	N-3:	N(C[5a]C[5,5a]N[5a])(O)2	O(NC[5a]O)	O(NC[5a]O)	N(C[5a]C[5,5a]N[5a])(O)2	O(NC[5a]O)	O(NC[5a]O)	121.8270	0.000	1	121.8270	0.000	1	124.4153	1.395	789	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[5a]-3:O-1:O-1:	N-3:	N-3:	N(C[5a]C[5a,5a]N[5a])(O)2	O(NC[5a]O)	O(NC[5a]O)	N(C[5a]C[5a,5a]N[5a])(O)2	O(NC[5a]O)	O(NC[5a]O)	124.8260	0.580	14	124.8260	0.336	14	124.4153	1.395	789	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[5a]-3:O-1:O-1:	N-3:	N-3:	N(C[5a]C[5a,6,6]C[5a])(O)2	O(NC[5a]O)	O(NC[5a]O)	N(C[5a]C[5a,6,6]C[5a])(O)2	O(NC[5a]O)	O(NC[5a]O)	122.7670	0.000	1	122.7670	0.000	1	124.4153	1.395	789	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[5a]-3:O-1:O-1:	N-3:	N-3:	N(C[5a]C[5a,6]C[5a])(O)2	O(NC[5a]O)	O(NC[5a]O)	N(C[5a]C[5a,6]C[5a])(O)2	O(NC[5a]O)	O(NC[5a]O)	123.8152	1.220	9	123.8152	1.488	9	124.4153	1.395	789	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[5a]-3:O-1:O-1:	N-3:	N-3:	N(C[5a]C[5a,6]N[5a])(O)2	O(NC[5a]O)	O(NC[5a]O)	N(C[5a]C[5a,6]N[5a])(O)2	O(NC[5a]O)	O(NC[5a]O)	121.8430	0.000	1	121.8430	0.000	1	124.4153	1.395	789	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[5a]-3:O-1:O-1:	N-3:	N-3:	N(C[5a]C[5a,6a]C[5a])(O)2	O(NC[5a]O)	O(NC[5a]O)	N(C[5a]C[5a,6a]C[5a])(O)2	O(NC[5a]O)	O(NC[5a]O)	124.0045	1.059	11	124.0045	1.121	11	124.4153	1.395	789	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[5a]-3:O-1:O-1:	N-3:	N-3:	N(C[5a]C[5a,6a]N[5a])(O)2	O(NC[5a]O)	O(NC[5a]O)	N(C[5a]C[5a,6a]N[5a])(O)2	O(NC[5a]O)	O(NC[5a]O)	123.9450	0.317	2	123.9450	0.100	2	124.4153	1.395	789	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[5a]-3:O-1:O-1:	N-3:	N-3:	N(C[5a]C[5a]2)(O)2	O(NC[5a]O)	O(NC[5a]O)	N(C[5a]C[5a]2)(O)2	O(NC[5a]O)	O(NC[5a]O)	123.9745	1.136	141	123.9745	1.290	141	124.4153	1.395	789	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[5a]-3:O-1:O-1:	N-3:	N-3:	N(C[5a]C[5a]N[5a])(O)2	O(NC[5a]O)	O(NC[5a]O)	N(C[5a]C[5a]N[5a])(O)2	O(NC[5a]O)	O(NC[5a]O)	124.2098	1.292	326	124.2098	1.668	326	124.4153	1.395	789	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[5a]-3:O-1:O-1:	N-3:	N-3:	N(C[5a]C[5a]O[5a])(O)2	O(NC[5a]O)	O(NC[5a]O)	N(C[5a]C[5a]O[5a])(O)2	O(NC[5a]O)	O(NC[5a]O)	124.7674	0.703	76	124.7674	0.494	76	124.4153	1.395	789	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[5a]-3:O-1:O-1:	N-3:	N-3:	N(C[5a]C[5a]S[5a])(O)2	O(NC[5a]O)	O(NC[5a]O)	N(C[5a]C[5a]S[5a])(O)2	O(NC[5a]O)	O(NC[5a]O)	123.9537	0.736	36	123.9537	0.541	36	124.4153	1.395	789	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[5a]-3:O-1:O-1:	N-3:	N-3:	N(C[5a]N[5a,5a]C[5a])(O)2	O(NC[5a]O)	O(NC[5a]O)	N(C[5a]N[5a,5a]C[5a])(O)2	O(NC[5a]O)	O(NC[5a]O)	124.5026	1.202	7	124.5026	1.444	7	124.4153	1.395	789	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[5a]-3:O-1:O-1:	N-3:	N-3:	N(C[5a]N[5a,6]C[5a])(O)2	O(NC[5a]O)	O(NC[5a]O)	N(C[5a]N[5a,6]C[5a])(O)2	O(NC[5a]O)	O(NC[5a]O)	123.6630	0.000	1	123.6630	0.000	1	124.4153	1.395	789	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[5a]-3:O-1:O-1:	N-3:	N-3:	N(C[5a]N[5a,6]N[5a])(O)2	O(NC[5a]O)	O(NC[5a]O)	N(C[5a]N[5a,6]N[5a])(O)2	O(NC[5a]O)	O(NC[5a]O)	124.6830	0.000	1	124.6830	0.000	1	124.4153	1.395	789	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[5a]-3:O-1:O-1:	N-3:	N-3:	N(C[5a]N[5a,6a]C[5a])(O)2	O(NC[5a]O)	O(NC[5a]O)	N(C[5a]N[5a,6a]C[5a])(O)2	O(NC[5a]O)	O(NC[5a]O)	123.1655	1.169	2	123.1655	1.366	2	124.4153	1.395	789	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[5a]-3:O-1:O-1:	N-3:	N-3:	N(C[5a]N[5a]2)(O)2	O(NC[5a]O)	O(NC[5a]O)	N(C[5a]N[5a]2)(O)2	O(NC[5a]O)	O(NC[5a]O)	125.2673	0.696	159	125.2673	0.485	159	124.4153	1.395	789	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[6]-3:O-1:O-1:	N-3:	N-3:	N(C[6]C[5,6]2)(O)2	O(NC[6]O)	O(NC[6]O)	N(C[6]C[5,6]2)(O)2	O(NC[6]O)	O(NC[6]O)	121.9393	3.099	11	121.9393	9.602	11	122.6137	2.122	1497	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[6]-3:O-1:O-1:	N-3:	N-3:	N(C[6]C[5,6]C[6,6])(O)2	O(NC[6]O)	O(NC[6]O)	N(C[6]C[5,6]C[6,6])(O)2	O(NC[6]O)	O(NC[6]O)	120.0683	0.502	4	120.0683	0.252	4	122.6137	2.122	1497	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[6]-3:O-1:O-1:	N-3:	N-3:	N(C[6]C[5,6]C[6])(O)2	O(NC[6]O)	O(NC[6]O)	N(C[6]C[5,6]C[6])(O)2	O(NC[6]O)	O(NC[6]O)	122.2170	1.724	16	122.2170	2.973	16	122.6137	2.122	1497	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[6]-3:O-1:O-1:	N-3:	N-3:	N(C[6]C[5a,6]2)(O)2	O(NC[6]O)	O(NC[6]O)	N(C[6]C[5a,6]2)(O)2	O(NC[6]O)	O(NC[6]O)	120.4670	0.000	1	120.4670	0.000	1	122.6137	2.122	1497	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[6]-3:O-1:O-1:	N-3:	N-3:	N(C[6]C[5a,6]C[6])(O)2	O(NC[6]O)	O(NC[6]O)	N(C[6]C[5a,6]C[6])(O)2	O(NC[6]O)	O(NC[6]O)	122.7413	0.960	3	122.7413	0.922	3	122.6137	2.122	1497	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[6]-3:O-1:O-1:	N-3:	N-3:	N(C[6]C[6,6]C[6])(O)2	O(NC[6]O)	O(NC[6]O)	N(C[6]C[6,6]C[6])(O)2	O(NC[6]O)	O(NC[6]O)	121.3509	1.510	8	121.3509	2.281	8	122.6137	2.122	1497	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[6]-3:O-1:O-1:	N-3:	N-3:	N(C[6]C[6,6]N[6])(O)2	O(NC[6]O)	O(NC[6]O)	N(C[6]C[6,6]N[6])(O)2	O(NC[6]O)	O(NC[6]O)	124.7846	0.251	5	124.7846	0.063	5	122.6137	2.122	1497	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[6]-3:O-1:O-1:	N-3:	N-3:	N(C[6]C[6,6a]C[6])(O)2	O(NC[6]O)	O(NC[6]O)	N(C[6]C[6,6a]C[6])(O)2	O(NC[6]O)	O(NC[6]O)	123.4107	1.321	3	123.4107	1.745	3	122.6137	2.122	1497	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[6]-3:O-1:O-1:	N-3:	N-3:	N(C[6]C[6]2)(O)2	O(NC[6]O)	O(NC[6]O)	N(C[6]C[6]2)(O)2	O(NC[6]O)	O(NC[6]O)	122.6229	1.419	1442	122.6229	2.014	1442	122.6137	2.122	1497	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[6]-3:O-1:O-1:	N-3:	N-3:	N(C[6]C[6]N[6])(O)2	O(NC[6]O)	O(NC[6]O)	N(C[6]C[6]N[6])(O)2	O(NC[6]O)	O(NC[6]O)	124.9712	1.917	4	124.9712	3.676	4	122.6137	2.122	1497	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[6a]-3:O-1:O-1:	N-3:	N-3:	N(C[6a]C[5,6a]C[6a])(O)2	O(NC[6a]O)	O(NC[6a]O)	N(C[6a]C[5,6a]C[6a])(O)2	O(NC[6a]O)	O(NC[6a]O)	124.6093	0.924	55	124.6093	0.855	55	123.4781	1.195	9744	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[6a]-3:O-1:O-1:	N-3:	N-3:	N(C[6a]C[5a,6a]C[5,6a])(O)2	O(NC[6a]O)	O(NC[6a]O)	N(C[6a]C[5a,6a]C[5,6a])(O)2	O(NC[6a]O)	O(NC[6a]O)	124.0320	0.000	1	124.0320	0.000	1	123.4781	1.195	9744	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[6a]-3:O-1:O-1:	N-3:	N-3:	N(C[6a]C[5a,6a]C[6a])(O)2	O(NC[6a]O)	O(NC[6a]O)	N(C[6a]C[5a,6a]C[6a])(O)2	O(NC[6a]O)	O(NC[6a]O)	123.4246	0.809	63	123.4246	0.654	63	123.4781	1.195	9744	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[6a]-3:O-1:O-1:	N-3:	N-3:	N(C[6a]C[6,6a]C[6a])(O)2	O(NC[6a]O)	O(NC[6a]O)	N(C[6a]C[6,6a]C[6a])(O)2	O(NC[6a]O)	O(NC[6a]O)	123.2356	1.724	50	123.2356	2.973	50	123.4781	1.195	9744	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[6a]-3:O-1:O-1:	N-3:	N-3:	N(C[6a]C[6a,6a]2)(O)2	O(NC[6a]O)	O(NC[6a]O)	N(C[6a]C[6a,6a]2)(O)2	O(NC[6a]O)	O(NC[6a]O)	123.6659	0.604	8	123.6659	0.364	8	123.4781	1.195	9744	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[6a]-3:O-1:O-1:	N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(O)2	O(NC[6a]O)	O(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(O)2	O(NC[6a]O)	O(NC[6a]O)	123.7948	0.923	71	123.7948	0.851	71	123.4781	1.195	9744	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[6a]-3:O-1:O-1:	N-3:	N-3:	N(C[6a]C[6a]2)(O)2	O(NC[6a]O)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	O(NC[6a]O)	O(NC[6a]O)	123.4684	1.087	9477	123.4684	1.181	9477	123.4781	1.195	9744	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[6a]-3:O-1:O-1:	N-3:	N-3:	N(C[6a]C[6a]N[6a])(O)2	O(NC[6a]O)	O(NC[6a]O)	N(C[6a]C[6a]N[6a])(O)2	O(NC[6a]O)	O(NC[6a]O)	124.5348	1.659	19	124.5348	2.752	19	123.4781	1.195	9744	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	N-3:O-1:O-1:	N-3:	N-3:	N(NCC)(O)2	O(NNO)	O(NNO)	N(NCC)(O)2	O(NNO)	O(NNO)	125.0614	0.674	40	125.0614	0.455	40	125.1667	2.085	138	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	N-3:O-1:O-1:	N-3:	N-3:	N(NCH)(O)2	O(NNO)	O(NNO)	N(NCH)(O)2	O(NNO)	O(NNO)	125.5499	1.020	33	125.5499	1.040	33	125.1667	2.085	138	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	N-3:O-1:O-1:	N-3:	N-3:	N(NC[5]H)(O)2	O(NNO)	O(NNO)	N(NC[5]H)(O)2	O(NNO)	O(NNO)	127.3500	0.008	2	127.3500	0.000	2	125.1667	2.085	138	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	N-3:O-1:O-1:	N-3:	N-3:	N(NC[5a]C)(O)2	O(NNO)	O(NNO)	N(NC[5a]C)(O)2	O(NNO)	O(NNO)	126.6875	1.176	10	126.6875	1.383	10	125.1667	2.085	138	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	N-3:O-1:O-1:	N-3:	N-3:	N(NC[5a]Co)(O)2	O(NNO)	O(NNO)	N(NC[5a]Co)(O)2	O(NNO)	O(NNO)	122.2455	0.556	2	122.2455	0.310	2	125.1667	2.085	138	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	N-3:O-1:O-1:	N-3:	N-3:	N(NC[5a]H)(O)2	O(NNO)	O(NNO)	N(NC[5a]H)(O)2	O(NNO)	O(NNO)	126.1529	1.418	12	126.1529	2.009	12	125.1667	2.085	138	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	N-3:O-1:O-1:	N-3:	N-3:	N(NC[6]2)(O)2	O(NNO)	O(NNO)	N(NC[6]2)(O)2	O(NNO)	O(NNO)	123.3020	0.000	1	123.3020	0.000	1	125.1667	2.085	138	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	N-3:O-1:O-1:	N-3:	N-3:	N(NC[6]C)(O)2	O(NNO)	O(NNO)	N(NC[6]C)(O)2	O(NNO)	O(NNO)	125.4506	0.765	5	125.4506	0.586	5	125.1667	2.085	138	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	N-3:O-1:O-1:	N-3:	N-3:	N(NC[6]H)(O)2	O(NNO)	O(NNO)	N(NC[6]H)(O)2	O(NNO)	O(NNO)	125.5718	0.420	5	125.5718	0.176	5	125.1667	2.085	138	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	N-3:O-1:O-1:	N-3:	N-3:	N(NC[6a]C)(O)2	O(NNO)	O(NNO)	N(NC[6a]C)(O)2	O(NNO)	O(NNO)	125.1363	0.902	8	125.1363	0.813	8	125.1667	2.085	138	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	N-3:O-1:O-1:	N-3:	N-3:	N(NC[6a]H)(O)2	O(NNO)	O(NNO)	N(NC[6a]H)(O)2	O(NNO)	O(NNO)	125.3405	0.649	6	125.3405	0.421	6	125.1667	2.085	138	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	N-3:O-1:O-1:	N-3:	N-3:	N(NCoC)(O)2	O(NNO)	O(NNO)	N(NCoC)(O)2	O(NNO)	O(NNO)	121.5997	0.287	3	121.5997	0.082	3	125.1667	2.085	138	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	N-3:O-1:O-1:	N-3:	N-3:	N(NIrC)(O)2	O(NNO)	O(NNO)	N(NIrC)(O)2	O(NNO)	O(NNO)	122.9333	0.662	3	122.9333	0.438	3	125.1667	2.085	138	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	N-3:O-1:O-1:	N-3:	N-3:	N(NIrN)(O)2	O(NNO)	O(NNO)	N(NIrN)(O)2	O(NNO)	O(NNO)	125.3085	0.392	2	125.3085	0.154	2	125.1667	2.085	138	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	N-3:O-1:O-1:	N-3:	N-3:	N(NNiC)(O)2	O(NNO)	O(NNO)	N(NNiC)(O)2	O(NNO)	O(NNO)	122.0052	0.493	5	122.0052	0.243	5	125.1667	2.085	138	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	N-3:O-1:O-1:	N-3:	N-3:	N(NZnC)(O)2	O(NNO)	O(NNO)	N(NZnC)(O)2	O(NNO)	O(NNO)	121.7040	0.000	1	121.7040	0.000	1	125.1667	2.085	138	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	N[5]-3:O-1:O-1:	N-3:	N-3:	N(N[5]C[3,5]C[5])(O)2	O(NN[5]O)	O(NN[5]O)	N(N[5]C[3,5]C[5])(O)2	O(NN[5]O)	O(NN[5]O)	127.2200	0.025	2	127.2200	0.001	2	126.9867	0.571	115	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	N[5]-3:O-1:O-1:	N-3:	N-3:	N(N[5]C[4,5]C[5])(O)2	O(NN[5]O)	O(NN[5]O)	N(N[5]C[4,5]C[5])(O)2	O(NN[5]O)	O(NN[5]O)	126.8310	0.891	2	126.8310	0.794	2	126.9867	0.571	115	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	N[5]-3:O-1:O-1:	N-3:	N-3:	N(N[5]C[5,5]C[5])(O)2	O(NN[5]O)	O(NN[5]O)	N(N[5]C[5,5]C[5])(O)2	O(NN[5]O)	O(NN[5]O)	126.6429	0.624	9	126.6429	0.389	9	126.9867	0.571	115	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	N[5]-3:O-1:O-1:	N-3:	N-3:	N(N[5]C[5,6]C[5])(O)2	O(NN[5]O)	O(NN[5]O)	N(N[5]C[5,6]C[5])(O)2	O(NN[5]O)	O(NN[5]O)	127.1353	0.583	94	127.1353	0.340	94	126.9867	0.571	115	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	N[5]-3:O-1:O-1:	N-3:	N-3:	N(N[5]C[5,6a]C[5])(O)2	O(NN[5]O)	O(NN[5]O)	N(N[5]C[5,6a]C[5])(O)2	O(NN[5]O)	O(NN[5]O)	124.6117	0.570	3	124.6117	0.324	3	126.9867	0.571	115	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	N[5]-3:O-1:O-1:	N-3:	N-3:	N(N[5]C[5]2)(O)2	O(NN[5]O)	O(NN[5]O)	N(N[5]C[5]2)(O)2	O(NN[5]O)	O(NN[5]O)	126.2058	1.194	5	126.2058	1.426	5	126.9867	0.571	115	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	N[5a]-3:O-1:O-1:	N-3:	N-3:	N(N[5a]C[5a,6a]2)(O)2	O(NN[5a]O)	O(NN[5a]O)	N(N[5a]C[5a,6a]2)(O)2	O(NN[5a]O)	O(NN[5a]O)	125.5110	0.000	1	125.5110	0.000	1	128.6744	4.227	5	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	N[5a]-3:O-1:O-1:	N-3:	N-3:	N(N[5a]C[5a,6a]N[5a])(O)2	O(NN[5a]O)	O(NN[5a]O)	N(N[5a]C[5a,6a]N[5a])(O)2	O(NN[5a]O)	O(NN[5a]O)	127.6950	0.000	1	127.6950	0.000	1	128.6744	4.227	5	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	N[5a]-3:O-1:O-1:	N-3:	N-3:	N(N[5a]C[5a]N[5a])(O)2	O(NN[5a]O)	O(NN[5a]O)	N(N[5a]C[5a]N[5a])(O)2	O(NN[5a]O)	O(NN[5a]O)	130.0553	0.331	3	130.0553	0.110	3	128.6744	4.227	5	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	N[6,6]-3:O-1:O-1:	N-3:	N-3:	N(N[6,6]C[3x6]2)(O)2	O(NN[6,6]O)	O(NN[6,6]O)	N(N[6,6]C[3x6]2)(O)2	O(NN[6,6]O)	O(NN[6,6]O)	125.8100	0.219	3	125.8100	0.048	3	125.8100	0.048	3	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	N[6]-3:O-1:O-1:	N-3:	N-3:	N(N[6]C[5,6]2)(O)2	O(NN[6]O)	O(NN[6]O)	N(N[6]C[5,6]2)(O)2	O(NN[6]O)	O(NN[6]O)	126.7316	0.565	39	126.7316	0.319	39	125.8372	1.083	102	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	N[6]-3:O-1:O-1:	N-3:	N-3:	N(N[6]C[5,6]C[6])(O)2	O(NN[6]O)	O(NN[6]O)	N(N[6]C[5,6]C[6])(O)2	O(NN[6]O)	O(NN[6]O)	125.4370	0.750	2	125.4370	0.562	2	125.8372	1.083	102	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	3:1:1:	3:	3:	N[6]-3:O-1:O-1:	N-3:	N-3:	N(N[6]C[6]2)(O)2	O(NN[6]O)	O(NN[6]O)	N(N[6]C[6]2)(O)2	O(NN[6]O)	O(NN[6]O)	125.2785	0.877	61	125.2785	0.768	61	125.8372	1.083	102	123.4634	1.799	12950	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	B-4:O-1:O-1:	N-3:	N-3:	N(BC[5]HH)(O)2	O(NBO)	O(NBO)	N(BC[5]HH)(O)2	O(NBO)	O(NBO)	120.6320	0.000	1	120.6320	0.000	1	120.6320	0.000	1	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CBr2C)(O)2	O(NCO)	O(NCO)	N(CBr2C)(O)2	O(NCO)	O(NCO)	126.7845	0.759	4	126.7845	0.577	4	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CBr3)(O)2	O(NCO)	O(NCO)	N(CBr3)(O)2	O(NCO)	O(NCO)	124.6532	0.821	4	124.6532	0.675	4	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CBrCN)(O)2	O(NCO)	O(NCO)	N(CBrCN)(O)2	O(NCO)	O(NCO)	127.4390	0.000	1	127.4390	0.000	1	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CC3)(O)2	O(NCO)	O(NCO)	N(CC3)(O)2	O(NCO)	O(NCO)	123.7766	0.736	23	123.7766	0.541	23	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CCCF)(O)2	O(NCO)	O(NCO)	N(CCCF)(O)2	O(NCO)	O(NCO)	127.3460	0.000	1	127.3460	0.000	1	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CCCH)(O)2	O(NCO)	O(NCO)	N(CCCH)(O)2	O(NCO)	O(NCO)	124.0767	0.660	53	124.0767	0.436	53	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CCCN)(O)2	O(NCO)	O(NCO)	N(CCCN)(O)2	O(NCO)	O(NCO)	125.5509	0.477	14	125.5509	0.227	14	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CCCP)(O)2	O(NCO)	O(NCO)	N(CCCP)(O)2	O(NCO)	O(NCO)	123.6923	0.594	3	123.6923	0.352	3	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CCCS)(O)2	O(NCO)	O(NCO)	N(CCCS)(O)2	O(NCO)	O(NCO)	124.2275	0.384	2	124.2275	0.147	2	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CCFN)(O)2	O(NCO)	O(NCO)	N(CCFN)(O)2	O(NCO)	O(NCO)	127.4099	0.547	28	127.4099	0.299	28	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CCHH)(O)2	O(NCO)	O(NCO)	N(CCHH)(O)2	O(NCO)	O(NCO)	123.7768	0.996	259	123.7768	0.991	259	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CCHN)(O)2	O(NCO)	O(NCO)	N(CCHN)(O)2	O(NCO)	O(NCO)	126.2840	0.760	6	126.2840	0.578	6	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CCII)(O)2	O(NCO)	O(NCO)	N(CCII)(O)2	O(NCO)	O(NCO)	124.6900	0.000	1	124.6900	0.000	1	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CCNN)(O)2	O(NCO)	O(NCO)	N(CCNN)(O)2	O(NCO)	O(NCO)	127.3416	0.877	147	127.3416	0.769	147	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CC[3]CH)(O)2	O(NCO)	O(NCO)	N(CC[3]CH)(O)2	O(NCO)	O(NCO)	123.4770	0.600	2	123.4770	0.360	2	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CC[5]CC)(O)2	O(NCO)	O(NCO)	N(CC[5]CC)(O)2	O(NCO)	O(NCO)	124.4170	0.000	1	124.4170	0.000	1	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CC[5]CH)(O)2	O(NCO)	O(NCO)	N(CC[5]CH)(O)2	O(NCO)	O(NCO)	123.9805	0.900	6	123.9805	0.810	6	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CC[5]CN)(O)2	O(NCO)	O(NCO)	N(CC[5]CN)(O)2	O(NCO)	O(NCO)	127.8200	0.310	2	127.8200	0.096	2	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CC[5]FF)(O)2	O(NCO)	O(NCO)	N(CC[5]FF)(O)2	O(NCO)	O(NCO)	127.3430	0.000	1	127.3430	0.000	1	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CC[5]FN)(O)2	O(NCO)	O(NCO)	N(CC[5]FN)(O)2	O(NCO)	O(NCO)	127.7203	0.343	10	127.7203	0.118	10	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CC[5]FS)(O)2	O(NCO)	O(NCO)	N(CC[5]FS)(O)2	O(NCO)	O(NCO)	127.4180	0.000	1	127.4180	0.000	1	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CC[5]HH)(O)2	O(NCO)	O(NCO)	N(CC[5]HH)(O)2	O(NCO)	O(NCO)	123.7940	1.487	28	123.7940	2.211	28	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CC[5]NN)(O)2	O(NCO)	O(NCO)	N(CC[5]NN)(O)2	O(NCO)	O(NCO)	127.5250	0.698	21	127.5250	0.488	21	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CC[5a]CN)(O)2	O(NCO)	O(NCO)	N(CC[5a]CN)(O)2	O(NCO)	O(NCO)	125.5445	0.094	2	125.5445	0.009	2	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CC[5a]ClN)(O)2	O(NCO)	O(NCO)	N(CC[5a]ClN)(O)2	O(NCO)	O(NCO)	127.9455	0.798	4	127.9455	0.636	4	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CC[5a]FN)(O)2	O(NCO)	O(NCO)	N(CC[5a]FN)(O)2	O(NCO)	O(NCO)	128.2259	0.226	8	128.2259	0.051	8	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CC[5a]HH)(O)2	O(NCO)	O(NCO)	N(CC[5a]HH)(O)2	O(NCO)	O(NCO)	125.1630	0.000	1	125.1630	0.000	1	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CC[5a]HN)(O)2	O(NCO)	O(NCO)	N(CC[5a]HN)(O)2	O(NCO)	O(NCO)	126.1548	1.165	10	126.1548	1.357	10	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CC[5a]NN)(O)2	O(NCO)	O(NCO)	N(CC[5a]NN)(O)2	O(NCO)	O(NCO)	128.0478	0.627	33	128.0478	0.393	33	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CC[6]2H)(O)2	O(NCO)	O(NCO)	N(CC[6]2H)(O)2	O(NCO)	O(NCO)	124.2890	0.000	1	124.2890	0.000	1	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CC[6]CH)(O)2	O(NCO)	O(NCO)	N(CC[6]CH)(O)2	O(NCO)	O(NCO)	123.2595	0.462	4	123.2595	0.213	4	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CC[6]ClN)(O)2	O(NCO)	O(NCO)	N(CC[6]ClN)(O)2	O(NCO)	O(NCO)	127.2802	0.295	4	127.2802	0.087	4	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CC[6]HH)(O)2	O(NCO)	O(NCO)	N(CC[6]HH)(O)2	O(NCO)	O(NCO)	123.5255	0.998	53	123.5255	0.996	53	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CC[6]HN)(O)2	O(NCO)	O(NCO)	N(CC[6]HN)(O)2	O(NCO)	O(NCO)	126.7428	0.352	4	126.7428	0.124	4	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CC[6]NN)(O)2	O(NCO)	O(NCO)	N(CC[6]NN)(O)2	O(NCO)	O(NCO)	126.8864	3.412	15	126.8864	11.643	15	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CC[6a]CC)(O)2	O(NCO)	O(NCO)	N(CC[6a]CC)(O)2	O(NCO)	O(NCO)	123.8383	0.419	4	123.8383	0.175	4	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CC[6a]CF)(O)2	O(NCO)	O(NCO)	N(CC[6a]CF)(O)2	O(NCO)	O(NCO)	126.0056	0.766	5	126.0056	0.587	5	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CC[6a]C[5]H)(O)2	O(NCO)	O(NCO)	N(CC[6a]C[5]H)(O)2	O(NCO)	O(NCO)	124.4020	0.000	1	124.4020	0.000	1	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CC[6a]HH)(O)2	O(NCO)	O(NCO)	N(CC[6a]HH)(O)2	O(NCO)	O(NCO)	124.1530	1.314	4	124.1530	1.727	4	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CC[6a]HS)(O)2	O(NCO)	O(NCO)	N(CC[6a]HS)(O)2	O(NCO)	O(NCO)	124.2890	0.000	1	124.2890	0.000	1	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CC[6a]NN)(O)2	O(NCO)	O(NCO)	N(CC[6a]NN)(O)2	O(NCO)	O(NCO)	127.2023	0.366	3	127.2023	0.134	3	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CCl2C)(O)2	O(NCO)	O(NCO)	N(CCl2C)(O)2	O(NCO)	O(NCO)	126.3193	0.179	3	126.3193	0.032	3	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CClCC)(O)2	O(NCO)	O(NCO)	N(CClCC)(O)2	O(NCO)	O(NCO)	124.0870	0.575	3	124.0870	0.331	3	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CClCN)(O)2	O(NCO)	O(NCO)	N(CClCN)(O)2	O(NCO)	O(NCO)	127.5793	0.619	12	127.5793	0.383	12	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CClNN)(O)2	O(NCO)	O(NCO)	N(CClNN)(O)2	O(NCO)	O(NCO)	128.4350	0.181	3	128.4350	0.033	3	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CCoHH)(O)2	O(NCO)	O(NCO)	N(CCoHH)(O)2	O(NCO)	O(NCO)	121.5860	0.000	1	121.5860	0.000	1	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CH3)(O)2	O(NCO)	O(NCO)	N(CH3)(O)2	O(NCO)	O(NCO)	123.3002	1.944	206	123.3002	3.777	206	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CN[5a]CN)(O)2	O(NCO)	O(NCO)	N(CN[5a]CN)(O)2	O(NCO)	O(NCO)	127.4010	0.369	2	127.4010	0.136	2	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CN[5a]HH)(O)2	O(NCO)	O(NCO)	N(CN[5a]HH)(O)2	O(NCO)	O(NCO)	125.6465	0.305	4	125.6465	0.093	4	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CN[5a]HN)(O)2	O(NCO)	O(NCO)	N(CN[5a]HN)(O)2	O(NCO)	O(NCO)	126.5575	0.791	4	126.5575	0.626	4	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CN[5a]NN)(O)2	O(NCO)	O(NCO)	N(CN[5a]NN)(O)2	O(NCO)	O(NCO)	128.5802	0.952	33	128.5802	0.906	33	125.0168	4.960	1046	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[3,5]-4:O-1:O-1:	N-3:	N-3:	N(C[3,5]C[3,5]C[3]C[5])(O)2	O(NC[3,5]O)	O(NC[3,5]O)	N(C[3,5]C[3,5]C[3]C[5])(O)2	O(NC[3,5]O)	O(NC[3,5]O)	124.5105	0.923	4	124.5105	0.852	4	124.5105	0.852	4	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[3,6]-4:O-1:O-1:	N-3:	N-3:	N(C[3,6]C[3,6]C[3]C[6])(O)2	O(NC[3,6]O)	O(NC[3,6]O)	N(C[3,6]C[3,6]C[3]C[6])(O)2	O(NC[3,6]O)	O(NC[3,6]O)	123.9567	0.308	4	123.9567	0.095	4	123.9567	0.095	4	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[3]-4:O-1:O-1:	N-3:	N-3:	N(C[3]C[3,4]O[3]H)(O)2	O(NC[3]O)	O(NC[3]O)	N(C[3]C[3,4]O[3]H)(O)2	O(NC[3]O)	O(NC[3]O)	125.2650	0.000	1	125.2650	0.000	1	124.3725	0.310	17	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[3]-4:O-1:O-1:	N-3:	N-3:	N(C[3]C[3,5]2H)(O)2	O(NC[3]O)	O(NC[3]O)	N(C[3]C[3,5]2H)(O)2	O(NC[3]O)	O(NC[3]O)	123.7660	0.000	1	123.7660	0.000	1	124.3725	0.310	17	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[3]-4:O-1:O-1:	N-3:	N-3:	N(C[3]C[3,5]C[3]C)(O)2	O(NC[3]O)	O(NC[3]O)	N(C[3]C[3,5]C[3]C)(O)2	O(NC[3]O)	O(NC[3]O)	124.8750	0.000	1	124.8750	0.000	1	124.3725	0.310	17	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[3]-4:O-1:O-1:	N-3:	N-3:	N(C[3]C[3,5]C[3]H)(O)2	O(NC[3]O)	O(NC[3]O)	N(C[3]C[3,5]C[3]H)(O)2	O(NC[3]O)	O(NC[3]O)	124.1380	0.000	1	124.1380	0.000	1	124.3725	0.310	17	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[3]-4:O-1:O-1:	N-3:	N-3:	N(C[3]C[3,6]2H)(O)2	O(NC[3]O)	O(NC[3]O)	N(C[3]C[3,6]2H)(O)2	O(NC[3]O)	O(NC[3]O)	123.9350	0.000	1	123.9350	0.000	1	124.3725	0.310	17	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[3]-4:O-1:O-1:	N-3:	N-3:	N(C[3]C[3]2C)(O)2	O(NC[3]O)	O(NC[3]O)	N(C[3]C[3]2C)(O)2	O(NC[3]O)	O(NC[3]O)	124.0768	0.541	6	124.0768	0.293	6	124.3725	0.310	17	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[3]-4:O-1:O-1:	N-3:	N-3:	N(C[3]C[3]2H)(O)2	O(NC[3]O)	O(NC[3]O)	N(C[3]C[3]2H)(O)2	O(NC[3]O)	O(NC[3]O)	124.5620	0.178	3	124.5620	0.032	3	124.3725	0.310	17	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[3]-4:O-1:O-1:	N-3:	N-3:	N(C[3]C[3]O[3]C)(O)2	O(NC[3]O)	O(NC[3]O)	N(C[3]C[3]O[3]C)(O)2	O(NC[3]O)	O(NC[3]O)	124.7050	0.000	1	124.7050	0.000	1	124.3725	0.310	17	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[3]-4:O-1:O-1:	N-3:	N-3:	N(C[3]C[3]O[3]S)(O)2	O(NC[3]O)	O(NC[3]O)	N(C[3]C[3]O[3]S)(O)2	O(NC[3]O)	O(NC[3]O)	125.3600	0.000	1	125.3600	0.000	1	124.3725	0.310	17	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[3]-4:O-1:O-1:	N-3:	N-3:	N(C[3]C[6a]C[3]O[3])(O)2	O(NC[3]O)	O(NC[3]O)	N(C[3]C[6a]C[3]O[3])(O)2	O(NC[3]O)	O(NC[3]O)	124.1420	0.000	1	124.1420	0.000	1	124.3725	0.310	17	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[3x6]-4:O-1:O-1:	N-3:	N-3:	N(C[3x6]C[6,6]3)(O)2	O(NC[3x6]O)	O(NC[3x6]O)	N(C[3x6]C[6,6]3)(O)2	O(NC[3x6]O)	O(NC[3x6]O)	124.0197	0.321	3	124.0197	0.103	3	124.0197	0.103	3	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[4,4x6]-4:O-1:O-1:	N-3:	N-3:	N(C[4,4x6]C[4,3x6]C[4,6,6]C[4x6])(O)2	O(NC[4,4x6]O)	O(NC[4,4x6]O)	N(C[4,4x6]C[4,3x6]C[4,6,6]C[4x6])(O)2	O(NC[4,4x6]O)	O(NC[4,4x6]O)	122.3875	0.235	2	122.3875	0.055	2	122.3875	0.055	2	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[4]-4:O-1:O-1:	N-3:	N-3:	N(C[4]C[4]2H)(O)2	O(NC[4]O)	O(NC[4]O)	N(C[4]C[4]2H)(O)2	O(NC[4]O)	O(NC[4]O)	124.3120	0.000	1	124.3120	0.000	1	125.9076	0.553	11	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[4]-4:O-1:O-1:	N-3:	N-3:	N(C[4]C[4]2N)(O)2	O(NC[4]O)	O(NC[4]O)	N(C[4]C[4]2N)(O)2	O(NC[4]O)	O(NC[4]O)	126.0672	0.551	10	126.0672	0.304	10	125.9076	0.553	11	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[5,5,6]-4:O-1:O-1:	N-3:	N-3:	N(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(O)2	O(NC[5,5,6]O)	O(NC[5,5,6]O)	N(C[5,5,6]C[5,5,6]C[5,6]O[5,5])(O)2	O(NC[5,5,6]O)	O(NC[5,5,6]O)	125.2285	0.107	2	125.2285	0.011	2	125.2285	0.011	2	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[5,5]-4:O-1:O-1:	N-3:	N-3:	N(C[5,5]C[3,5,5]C[5,6a]2)(O)2	O(NC[5,5]O)	O(NC[5,5]O)	N(C[5,5]C[3,5,5]C[5,6a]2)(O)2	O(NC[5,5]O)	O(NC[5,5]O)	124.8180	0.000	1	124.8180	0.000	1	124.3927	0.591	20	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[5,5]-4:O-1:O-1:	N-3:	N-3:	N(C[5,5]C[5,5]C[5]2)(O)2	O(NC[5,5]O)	O(NC[5,5]O)	N(C[5,5]C[5,5]C[5]2)(O)2	O(NC[5,5]O)	O(NC[5,5]O)	122.4760	0.000	1	122.4760	0.000	1	124.3927	0.591	20	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[5,5]-4:O-1:O-1:	N-3:	N-3:	N(C[5,5]C[5,5]C[5]O[5])(O)2	O(NC[5,5]O)	O(NC[5,5]O)	N(C[5,5]C[5,5]C[5]O[5])(O)2	O(NC[5,5]O)	O(NC[5,5]O)	124.9590	0.341	2	124.9590	0.116	2	124.3927	0.591	20	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[5,5]-4:O-1:O-1:	N-3:	N-3:	N(C[5,5]C[5,6a]C[5,5]2)(O)2	O(NC[5,5]O)	O(NC[5,5]O)	N(C[5,5]C[5,6a]C[5,5]2)(O)2	O(NC[5,5]O)	O(NC[5,5]O)	124.4645	0.045	2	124.4645	0.002	2	124.3927	0.591	20	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[5,5]-4:O-1:O-1:	N-3:	N-3:	N(C[5,5]C[5,6a]C[5,5]C[5,6])(O)2	O(NC[5,5]O)	O(NC[5,5]O)	N(C[5,5]C[5,6a]C[5,5]C[5,6])(O)2	O(NC[5,5]O)	O(NC[5,5]O)	124.6930	0.000	1	124.6930	0.000	1	124.3927	0.591	20	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[5,5]-4:O-1:O-1:	N-3:	N-3:	N(C[5,5]C[5,6a]C[5,5]C[5])(O)2	O(NC[5,5]O)	O(NC[5,5]O)	N(C[5,5]C[5,6a]C[5,5]C[5])(O)2	O(NC[5,5]O)	O(NC[5,5]O)	124.3862	0.737	13	124.3862	0.543	13	124.3927	0.591	20	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[5,6,6]-4:O-1:O-1:	N-3:	N-3:	N(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])(O)2	O(NC[5,6,6]O)	O(NC[5,6,6]O)	N(C[5,6,6]C[5,6,6]C[5,6a]C[3x6])(O)2	O(NC[5,6,6]O)	O(NC[5,6,6]O)	123.5350	0.000	1	123.5350	0.000	1	123.5350	0.000	1	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[5,6]-4:O-1:O-1:	N-3:	N-3:	N(C[5,6]C[3x5,6]C[5,6]H)(O)2	O(NC[5,6]O)	O(NC[5,6]O)	N(C[5,6]C[3x5,6]C[5,6]H)(O)2	O(NC[5,6]O)	O(NC[5,6]O)	124.3690	0.000	1	124.3690	0.000	1	124.0005	0.729	44	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[5,6]-4:O-1:O-1:	N-3:	N-3:	N(C[5,6]C[5,5,6]C[5,6]Br)(O)2	O(NC[5,6]O)	O(NC[5,6]O)	N(C[5,6]C[5,5,6]C[5,6]Br)(O)2	O(NC[5,6]O)	O(NC[5,6]O)	125.0272	0.921	4	125.0272	0.848	4	124.0005	0.729	44	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[5,6]-4:O-1:O-1:	N-3:	N-3:	N(C[5,6]C[5,5,6]C[5,6]H)(O)2	O(NC[5,6]O)	O(NC[5,6]O)	N(C[5,6]C[5,5,6]C[5,6]H)(O)2	O(NC[5,6]O)	O(NC[5,6]O)	124.0174	0.470	14	124.0174	0.221	14	124.0005	0.729	44	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[5,6]-4:O-1:O-1:	N-3:	N-3:	N(C[5,6]C[5,5]C[5,6]C[6])(O)2	O(NC[5,6]O)	O(NC[5,6]O)	N(C[5,6]C[5,5]C[5,6]C[6])(O)2	O(NC[5,6]O)	O(NC[5,6]O)	123.7944	1.280	8	123.7944	1.640	8	124.0005	0.729	44	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[5,6]-4:O-1:O-1:	N-3:	N-3:	N(C[5,6]C[5,6]2C[6])(O)2	O(NC[5,6]O)	O(NC[5,6]O)	N(C[5,6]C[5,6]2C[6])(O)2	O(NC[5,6]O)	O(NC[5,6]O)	123.4530	1.165	3	123.4530	1.357	3	124.0005	0.729	44	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[5,6]-4:O-1:O-1:	N-3:	N-3:	N(C[5,6]C[5,6]C[5]C[6])(O)2	O(NC[5,6]O)	O(NC[5,6]O)	N(C[5,6]C[5,6]C[5]C[6])(O)2	O(NC[5,6]O)	O(NC[5,6]O)	123.5961	0.594	9	123.5961	0.353	9	124.0005	0.729	44	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[5,6]-4:O-1:O-1:	N-3:	N-3:	N(C[5,6]C[5,6]C[6]O[5])(O)2	O(NC[5,6]O)	O(NC[5,6]O)	N(C[5,6]C[5,6]C[6]O[5])(O)2	O(NC[5,6]O)	O(NC[5,6]O)	124.0470	0.000	1	124.0470	0.000	1	124.0005	0.729	44	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[5,6]-4:O-1:O-1:	N-3:	N-3:	N(C[5,6]C[5,6a]C[5,6]C[6])(O)2	O(NC[5,6]O)	O(NC[5,6]O)	N(C[5,6]C[5,6a]C[5,6]C[6])(O)2	O(NC[5,6]O)	O(NC[5,6]O)	124.5430	0.477	4	124.5430	0.228	4	124.0005	0.729	44	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	N-3:	N-3:	N(C[5]C[5,5,6,6]C[5]H)(O)2	O(NC[5]O)	O(NC[5]O)	N(C[5]C[5,5,6,6]C[5]H)(O)2	O(NC[5]O)	O(NC[5]O)	123.1190	0.000	1	123.1190	0.000	1	124.5603	1.516	155	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	N-3:	N-3:	N(C[5]C[5,5]C[5]Br)(O)2	O(NC[5]O)	O(NC[5]O)	N(C[5]C[5,5]C[5]Br)(O)2	O(NC[5]O)	O(NC[5]O)	126.1695	0.170	2	126.1695	0.029	2	124.5603	1.516	155	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	N-3:	N-3:	N(C[5]C[5,5]C[5]C)(O)2	O(NC[5]O)	O(NC[5]O)	N(C[5]C[5,5]C[5]C)(O)2	O(NC[5]O)	O(NC[5]O)	123.3128	0.495	6	123.3128	0.245	6	124.5603	1.516	155	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	N-3:	N-3:	N(C[5]C[5,5]C[5]H)(O)2	O(NC[5]O)	O(NC[5]O)	N(C[5]C[5,5]C[5]H)(O)2	O(NC[5]O)	O(NC[5]O)	123.8478	0.684	14	123.8478	0.468	14	124.5603	1.516	155	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	N-3:	N-3:	N(C[5]C[5,5]C[5]N)(O)2	O(NC[5]O)	O(NC[5]O)	N(C[5]C[5,5]C[5]N)(O)2	O(NC[5]O)	O(NC[5]O)	126.7452	0.453	24	126.7452	0.205	24	124.5603	1.516	155	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	N-3:	N-3:	N(C[5]C[5,6]C[5]Br)(O)2	O(NC[5]O)	O(NC[5]O)	N(C[5]C[5,6]C[5]Br)(O)2	O(NC[5]O)	O(NC[5]O)	125.0980	0.000	1	125.0980	0.000	1	124.5603	1.516	155	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	N-3:	N-3:	N(C[5]C[5,6]C[5]C)(O)2	O(NC[5]O)	O(NC[5]O)	N(C[5]C[5,6]C[5]C)(O)2	O(NC[5]O)	O(NC[5]O)	124.5335	0.705	2	124.5335	0.497	2	124.5603	1.516	155	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	N-3:	N-3:	N(C[5]C[5,6]C[5]H)(O)2	O(NC[5]O)	O(NC[5]O)	N(C[5]C[5,6]C[5]H)(O)2	O(NC[5]O)	O(NC[5]O)	124.0916	0.300	7	124.0916	0.090	7	124.5603	1.516	155	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	N-3:	N-3:	N(C[5]C[5,6a]C[5,6]C)(O)2	O(NC[5]O)	O(NC[5]O)	N(C[5]C[5,6a]C[5,6]C)(O)2	O(NC[5]O)	O(NC[5]O)	123.3070	0.000	1	123.3070	0.000	1	124.5603	1.516	155	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	N-3:	N-3:	N(C[5]C[5,6a]C[5]H)(O)2	O(NC[5]O)	O(NC[5]O)	N(C[5]C[5,6a]C[5]H)(O)2	O(NC[5]O)	O(NC[5]O)	124.1780	1.203	2	124.1780	1.448	2	124.5603	1.516	155	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	N-3:	N-3:	N(C[5]C[5]2C)(O)2	O(NC[5]O)	O(NC[5]O)	N(C[5]C[5]2C)(O)2	O(NC[5]O)	O(NC[5]O)	123.7735	0.621	11	123.7735	0.386	11	124.5603	1.516	155	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	N-3:	N-3:	N(C[5]C[5]2Cl)(O)2	O(NC[5]O)	O(NC[5]O)	N(C[5]C[5]2Cl)(O)2	O(NC[5]O)	O(NC[5]O)	125.7940	0.000	1	125.7940	0.000	1	124.5603	1.516	155	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	N-3:	N-3:	N(C[5]C[5]2F)(O)2	O(NC[5]O)	O(NC[5]O)	N(C[5]C[5]2F)(O)2	O(NC[5]O)	O(NC[5]O)	125.6700	0.000	1	125.6700	0.000	1	124.5603	1.516	155	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	N-3:	N-3:	N(C[5]C[5]2H)(O)2	O(NC[5]O)	O(NC[5]O)	N(C[5]C[5]2H)(O)2	O(NC[5]O)	O(NC[5]O)	124.0218	0.718	59	124.0218	0.515	59	124.5603	1.516	155	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	N-3:	N-3:	N(C[5]C[5]O[5]H)(O)2	O(NC[5]O)	O(NC[5]O)	N(C[5]C[5]O[5]H)(O)2	O(NC[5]O)	O(NC[5]O)	124.8330	0.841	22	124.8330	0.707	22	124.5603	1.516	155	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[5]-4:O-1:O-1:	N-3:	N-3:	N(C[5]C[6a]C[5]2)(O)2	O(NC[5]O)	O(NC[5]O)	N(C[5]C[6a]C[5]2)(O)2	O(NC[5]O)	O(NC[5]O)	124.7070	0.000	1	124.7070	0.000	1	124.5603	1.516	155	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[5x6]-4:O-1:O-1:	N-3:	N-3:	N(C[5x6]C[3x6]C[4x6]2)(O)2	O(NC[5x6]O)	O(NC[5x6]O)	N(C[5x6]C[3x6]C[4x6]2)(O)2	O(NC[5x6]O)	O(NC[5x6]O)	123.8305	0.091	2	123.8305	0.008	2	123.8305	0.008	2	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[6,6]-4:O-1:O-1:	N-3:	N-3:	N(C[6,6]C[3x6]C[6,6]H)(O)2	O(NC[6,6]O)	O(NC[6,6]O)	N(C[6,6]C[3x6]C[6,6]H)(O)2	O(NC[6,6]O)	O(NC[6,6]O)	122.9055	0.748	4	122.9055	0.559	4	123.2789	0.619	18	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[6,6]-4:O-1:O-1:	N-3:	N-3:	N(C[6,6]C[5,3x6]C[6,6]H)(O)2	O(NC[6,6]O)	O(NC[6,6]O)	N(C[6,6]C[5,3x6]C[6,6]H)(O)2	O(NC[6,6]O)	O(NC[6,6]O)	123.3835	0.161	2	123.3835	0.026	2	123.2789	0.619	18	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[6,6]-4:O-1:O-1:	N-3:	N-3:	N(C[6,6]C[5,4x6]C[6,6]H)(O)2	O(NC[6,6]O)	O(NC[6,6]O)	N(C[6,6]C[5,4x6]C[6,6]H)(O)2	O(NC[6,6]O)	O(NC[6,6]O)	123.9340	0.000	1	123.9340	0.000	1	123.2789	0.619	18	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[6,6]-4:O-1:O-1:	N-3:	N-3:	N(C[6,6]C[5,6]C[6,6]C[6])(O)2	O(NC[6,6]O)	O(NC[6,6]O)	N(C[6,6]C[5,6]C[6,6]C[6])(O)2	O(NC[6,6]O)	O(NC[6,6]O)	123.0050	0.167	3	123.0050	0.028	3	123.2789	0.619	18	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[6,6]-4:O-1:O-1:	N-3:	N-3:	N(C[6,6]C[6,6]C[6]2)(O)2	O(NC[6,6]O)	O(NC[6,6]O)	N(C[6,6]C[6,6]C[6]2)(O)2	O(NC[6,6]O)	O(NC[6,6]O)	123.4604	1.019	8	123.4604	1.039	8	123.2789	0.619	18	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[6]-4:O-1:O-1:	N-3:	N-3:	N(C[6]C[5,6]C[6]H)(O)2	O(NC[6]O)	O(NC[6]O)	N(C[6]C[5,6]C[6]H)(O)2	O(NC[6]O)	O(NC[6]O)	123.9573	0.822	14	123.9573	0.676	14	123.9205	0.639	221	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[6]-4:O-1:O-1:	N-3:	N-3:	N(C[6]C[5,6]C[6]N)(O)2	O(NC[6]O)	O(NC[6]O)	N(C[6]C[5,6]C[6]N)(O)2	O(NC[6]O)	O(NC[6]O)	124.9500	0.062	2	124.9500	0.004	2	123.9205	0.639	221	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[6]-4:O-1:O-1:	N-3:	N-3:	N(C[6]C[6,6]2H)(O)2	O(NC[6]O)	O(NC[6]O)	N(C[6]C[6,6]2H)(O)2	O(NC[6]O)	O(NC[6]O)	123.5230	0.000	1	123.5230	0.000	1	123.9205	0.639	221	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[6]-4:O-1:O-1:	N-3:	N-3:	N(C[6]C[6,6]C[6]H)(O)2	O(NC[6]O)	O(NC[6]O)	N(C[6]C[6,6]C[6]H)(O)2	O(NC[6]O)	O(NC[6]O)	123.7648	0.712	22	123.7648	0.507	22	123.9205	0.639	221	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[6]-4:O-1:O-1:	N-3:	N-3:	N(C[6]C[6,6]C[6]N)(O)2	O(NC[6]O)	O(NC[6]O)	N(C[6]C[6,6]C[6]N)(O)2	O(NC[6]O)	O(NC[6]O)	126.2220	0.205	2	126.2220	0.042	2	123.9205	0.639	221	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[6]-4:O-1:O-1:	N-3:	N-3:	N(C[6]C[6,6a]2C)(O)2	O(NC[6]O)	O(NC[6]O)	N(C[6]C[6,6a]2C)(O)2	O(NC[6]O)	O(NC[6]O)	123.6945	0.598	2	123.6945	0.357	2	123.9205	0.639	221	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[6]-4:O-1:O-1:	N-3:	N-3:	N(C[6]C[6]2Br)(O)2	O(NC[6]O)	O(NC[6]O)	N(C[6]C[6]2Br)(O)2	O(NC[6]O)	O(NC[6]O)	124.9810	0.547	2	124.9810	0.300	2	123.9205	0.639	221	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[6]-4:O-1:O-1:	N-3:	N-3:	N(C[6]C[6]2C)(O)2	O(NC[6]O)	O(NC[6]O)	N(C[6]C[6]2C)(O)2	O(NC[6]O)	O(NC[6]O)	123.7817	0.726	29	123.7817	0.526	29	123.9205	0.639	221	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[6]-4:O-1:O-1:	N-3:	N-3:	N(C[6]C[6]2H)(O)2	O(NC[6]O)	O(NC[6]O)	N(C[6]C[6]2H)(O)2	O(NC[6]O)	O(NC[6]O)	123.8861	0.774	139	123.8861	0.599	139	123.9205	0.639	221	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[6]-4:O-1:O-1:	N-3:	N-3:	N(C[6]C[6]2N)(O)2	O(NC[6]O)	O(NC[6]O)	N(C[6]C[6]2N)(O)2	O(NC[6]O)	O(NC[6]O)	124.7225	0.760	4	124.7225	0.577	4	123.9205	0.639	221	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[6]-4:O-1:O-1:	N-3:	N-3:	N(C[6]C[6]2Ru)(O)2	O(NC[6]O)	O(NC[6]O)	N(C[6]C[6]2Ru)(O)2	O(NC[6]O)	O(NC[6]O)	124.3750	0.000	1	124.3750	0.000	1	123.9205	0.639	221	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[6]-4:O-1:O-1:	N-3:	N-3:	N(C[6]C[6a]C[6]2)(O)2	O(NC[6]O)	O(NC[6]O)	N(C[6]C[6a]C[6]2)(O)2	O(NC[6]O)	O(NC[6]O)	123.4175	0.612	2	123.4175	0.374	2	123.9205	0.639	221	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	4:1:1:	3:	3:	C[6]-4:O-1:O-1:	N-3:	N-3:	N(C[6]N[5a]C[6]2)(O)2	O(NC[6]O)	O(NC[6]O)	N(C[6]N[5a]C[6]2)(O)2	O(NC[6]O)	O(NC[6]O)	125.0400	0.000	1	125.0400	0.000	1	123.9205	0.639	221	124.7428	3.855	1551	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP2_SP2_SP2	N	O	O	6:1:1:	3:	3:	B[5x3,5x5,20x6]-6:O-1:O-1:	N-3:	N-3:	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(O)2	O(NB[5x3,5x5,20x6]O)	O(NB[5x3,5x5,20x6]O)	N(B[5x3,5x5,20x6]B[5x3,5x5,20x6]5)(O)2	O(NB[5x3,5x5,20x6]O)	O(NB[5x3,5x5,20x6]O)	119.9910	0.000	1	119.9910	0.000	1	119.9910	0.000	1	119.9910	0.000	1	122.3168	7.088	23110	122.3168	7.088	23110
956	863	863	0:SP3_SP2_SP2	N	O	O	1:1:1:	3:	3:	O-1:O-1:O-1:	N-3:	N-3:	N(O)3	O(NOO)	O(NOO)	N(O)3	O(NOO)	O(NOO)	116.9793	7.941	67	116.9793	63.059	67	116.9793	63.059	67	116.9793	63.059	67	116.3514	68.739	71	116.3514	68.739	71
956	863	863	0:SP3_SP2_SP2	N	O	O	3:1:1:	3:	3:	C[6a]-3:O-1:O-1:	N-3:	N-3:	N(C[6a]C[6a]2)(O)2	O(NC[6a]O)	O(NC[6a]O)	N(C[6a]C[6a]2)(O)2	O(NC[6a]O)	O(NC[6a]O)	94.2035	0.000	1	94.2035	0.000	1	94.2035	0.000	1	94.2035	0.000	1	116.3514	68.739	71	116.3514	68.739	71
956	863	863	0:SP3_SP2_SP2	N	O	O	4:1:1:	3:	3:	C-4:O-1:O-1:	N-3:	N-3:	N(CH3)(O)2	O(NCO)	O(NCO)	N(CH3)(O)2	O(NCO)	O(NCO)	109.7100	0.526	3	109.7100	0.277	3	109.7100	0.277	3	109.7100	0.277	3	116.3514	68.739	71	116.3514	68.739	71
956	863	893	0:SP2_SP2_SP2	N	O	O	2:1:1:	3:	3:3:	O-2:O-1:O-1:	N-3:	B[6a]-3:N-3:	N(OB[6a])(O)2	O(NOO)	O(B[6a]N[6a]2)(NOO)	N(OB[6a])(O)2	O(NOO)	O(B[6a]N[6a]2)(NOO)	116.6670	1.984	2	116.6670	3.937	2	116.6670	3.937	2	116.6670	3.937	2	116.6670	3.937	2	116.6670	3.937	2
956	863	893	0:SP2_SP2_SP3	N	O	O	2:1:1:	3:	3:1:	O-2:O-1:O-1:	N-3:	N-3:H-1:	N(OH)(O)2	O(NOO)	O(NOO)(H)	N(OH)(O)2	O(NOO)	O(NOO)(H)	116.5426	2.252	45	116.5426	5.071	45	116.5426	5.071	45	116.5426	5.071	45	116.2306	12.049	202	116.2306	12.049	202
956	863	893	0:SP2_SP2_SP3	N	O	O	2:1:1:	3:	3:3:	O-2:O-1:O-1:	N-3:	N-3:N-3:	N(ON)(O)2	O(NOO)	O(NOO)2	N(ON)(O)2	O(NOO)	O(NOO)2	126.6130	1.523	2	126.6130	2.320	2	126.6130	2.320	2	126.6130	2.320	2	116.2306	12.049	202	116.2306	12.049	202
956	863	893	0:SP2_SP2_SP3	N	O	O	2:1:1:	3:	4:3:	O-2:O-1:O-1:	N-3:	C-4:N-3:	N(OC)(O)2	O(NOO)	O(CCCH)(NOO)	N(OC)(O)2	O(NOO)	O(CCCH)(NOO)	114.8565	3.741	4	114.8565	13.995	4	115.2861	9.729	95	115.3662	9.736	131	116.2306	12.049	202	116.2306	12.049	202
956	863	893	0:SP2_SP2_SP3	N	O	O	2:1:1:	3:	4:3:	O-2:O-1:O-1:	N-3:	C-4:N-3:	N(OC)(O)2	O(NOO)	O(CCHH)(NOO)	N(OC)(O)2	O(NOO)	O(CCHH)(NOO)	115.4260	3.395	32	115.4260	11.526	32	115.2861	9.729	95	115.3662	9.736	131	116.2306	12.049	202	116.2306	12.049	202
956	863	893	0:SP2_SP2_SP3	N	O	O	2:1:1:	3:	4:3:	O-2:O-1:O-1:	N-3:	C-4:N-3:	N(OC)(O)2	O(NOO)	O(CCHO)(NOO)	N(OC)(O)2	O(NOO)	O(CCHO)(NOO)	114.2580	3.934	4	114.2580	15.475	4	115.2861	9.729	95	115.3662	9.736	131	116.2306	12.049	202	116.2306	12.049	202
956	863	893	0:SP2_SP2_SP3	N	O	O	2:1:1:	3:	4:3:	O-2:O-1:O-1:	N-3:	C-4:N-3:	N(OC)(O)2	O(NOO)	O(CC[4]HH)(NOO)	N(OC)(O)2	O(NOO)	O(CC[4]HH)(NOO)	115.4390	2.801	30	115.4390	7.848	30	115.2861	9.729	95	115.3662	9.736	131	116.2306	12.049	202	116.2306	12.049	202
956	863	893	0:SP2_SP2_SP3	N	O	O	2:1:1:	3:	4:3:	O-2:O-1:O-1:	N-3:	C-4:N-3:	N(OC)(O)2	O(NOO)	O(CC[5]HH)(NOO)	N(OC)(O)2	O(NOO)	O(CC[5]HH)(NOO)	115.2660	4.234	2	115.2660	17.928	2	115.2861	9.729	95	115.3662	9.736	131	116.2306	12.049	202	116.2306	12.049	202
956	863	893	0:SP2_SP2_SP3	N	O	O	2:1:1:	3:	4:3:	O-2:O-1:O-1:	N-3:	C-4:N-3:	N(OC)(O)2	O(NOO)	O(CC[5a]HH)(NOO)	N(OC)(O)2	O(NOO)	O(CC[5a]HH)(NOO)	115.2025	3.335	6	115.2025	11.121	6	115.2861	9.729	95	115.3662	9.736	131	116.2306	12.049	202	116.2306	12.049	202
956	863	893	0:SP2_SP2_SP3	N	O	O	2:1:1:	3:	4:3:	O-2:O-1:O-1:	N-3:	C-4:N-3:	N(OC)(O)2	O(NOO)	O(CC[6]HH)(NOO)	N(OC)(O)2	O(NOO)	O(CC[6]HH)(NOO)	115.4745	4.211	2	115.4745	17.731	2	115.2861	9.729	95	115.3662	9.736	131	116.2306	12.049	202	116.2306	12.049	202
956	863	893	0:SP2_SP2_SP3	N	O	O	2:1:1:	3:	4:3:	O-2:O-1:O-1:	N-3:	C-4:N-3:	N(OC)(O)2	O(NOO)	O(CHHP)(NOO)	N(OC)(O)2	O(NOO)	O(CHHP)(NOO)	114.4002	3.382	5	114.4002	11.439	5	115.2861	9.729	95	115.3662	9.736	131	116.2306	12.049	202	116.2306	12.049	202
956	863	893	0:SP2_SP2_SP3	N	O	O	2:1:1:	3:	4:3:	O-2:O-1:O-1:	N-3:	C-4:N-3:	N(OC)(O)2	O(NOO)	O(CN[5a]HH)(NOO)	N(OC)(O)2	O(NOO)	O(CN[5a]HH)(NOO)	115.4226	3.225	10	115.4226	10.403	10	115.2861	9.729	95	115.3662	9.736	131	116.2306	12.049	202	116.2306	12.049	202
956	863	893	0:SP2_SP2_SP3	N	O	O	2:1:1:	3:	4:3:	O-2:O-1:O-1:	N-3:	C[3x6]-4:N-3:	N(OC[3x6])(O)2	O(NOO)	O(C[3x6]C[6,6]3)(NOO)	N(OC[3x6])(O)2	O(NOO)	O(C[3x6]C[6,6]3)(NOO)	115.3360	4.728	2	115.3360	22.351	2	115.3360	22.351	2	115.3662	9.736	131	116.2306	12.049	202	116.2306	12.049	202
956	863	893	0:SP2_SP2_SP3	N	O	O	2:1:1:	3:	4:3:	O-2:O-1:O-1:	N-3:	C[4]-4:N-3:	N(OC[4])(O)2	O(NOO)	O(C[4]C[4]2O)(NOO)	N(OC[4])(O)2	O(NOO)	O(C[4]C[4]2O)(NOO)	114.7280	3.719	4	114.7280	13.828	4	114.7280	13.828	4	115.3662	9.736	131	116.2306	12.049	202	116.2306	12.049	202
956	863	893	0:SP2_SP2_SP3	N	O	O	2:1:1:	3:	4:3:	O-2:O-1:O-1:	N-3:	C[5,6]-4:N-3:	N(OC[5,6])(O)2	O(NOO)	O(C[5,6]C[5,5,6]C[5,6]H)(NOO)	N(OC[5,6])(O)2	O(NOO)	O(C[5,6]C[5,5,6]C[5,6]H)(NOO)	115.4375	3.525	2	115.4375	12.425	2	115.4375	12.425	2	115.3662	9.736	131	116.2306	12.049	202	116.2306	12.049	202
956	863	893	0:SP2_SP2_SP3	N	O	O	2:1:1:	3:	4:3:	O-2:O-1:O-1:	N-3:	C[5]-4:N-3:	N(OC[5])(O)2	O(NOO)	O(C[5]C[5,5]C[5]H)(NOO)	N(OC[5])(O)2	O(NOO)	O(C[5]C[5,5]C[5]H)(NOO)	115.0860	3.956	2	115.0860	15.646	2	115.2293	11.471	4	115.3662	9.736	131	116.2306	12.049	202	116.2306	12.049	202
956	863	893	0:SP2_SP2_SP3	N	O	O	2:1:1:	3:	4:3:	O-2:O-1:O-1:	N-3:	C[5]-4:N-3:	N(OC[5])(O)2	O(NOO)	O(C[5]C[5,6a]C[5]H)(NOO)	N(OC[5])(O)2	O(NOO)	O(C[5]C[5,6a]C[5]H)(NOO)	115.3725	4.323	2	115.3725	18.684	2	115.2293	11.471	4	115.3662	9.736	131	116.2306	12.049	202	116.2306	12.049	202
956	863	893	0:SP2_SP2_SP3	N	O	O	2:1:1:	3:	4:3:	O-2:O-1:O-1:	N-3:	C[6,6]-4:N-3:	N(OC[6,6])(O)2	O(NOO)	O(C[6,6]C[6,6]C[6]2)(NOO)	N(OC[6,6])(O)2	O(NOO)	O(C[6,6]C[6,6]C[6]2)(NOO)	115.3095	4.402	2	115.3095	19.375	2	115.3095	19.375	2	115.3662	9.736	131	116.2306	12.049	202	116.2306	12.049	202
956	863	893	0:SP2_SP2_SP3	N	O	O	2:1:1:	3:	4:3:	O-2:O-1:O-1:	N-3:	C[6]-4:N-3:	N(OC[6])(O)2	O(NOO)	O(C[6]C[6,6]C[6]H)(NOO)	N(OC[6])(O)2	O(NOO)	O(C[6]C[6,6]C[6]H)(NOO)	115.2915	4.558	4	115.2915	20.773	4	115.2783	13.112	12	115.3662	9.736	131	116.2306	12.049	202	116.2306	12.049	202
956	863	893	0:SP2_SP2_SP3	N	O	O	2:1:1:	3:	4:3:	O-2:O-1:O-1:	N-3:	C[6]-4:N-3:	N(OC[6])(O)2	O(NOO)	O(C[6]C[6]2H)(NOO)	N(OC[6])(O)2	O(NOO)	O(C[6]C[6]2H)(NOO)	115.7015	4.115	2	115.7015	16.930	2	115.2783	13.112	12	115.3662	9.736	131	116.2306	12.049	202	116.2306	12.049	202
956	863	893	0:SP2_SP2_SP3	N	O	O	2:1:1:	3:	4:3:	O-2:O-1:O-1:	N-3:	C[6]-4:N-3:	N(OC[6])(O)2	O(NOO)	O(C[6]C[6]O[6]H)(NOO)	N(OC[6])(O)2	O(NOO)	O(C[6]C[6]O[6]H)(NOO)	115.1285	3.591	6	115.1285	12.898	6	115.2783	13.112	12	115.3662	9.736	131	116.2306	12.049	202	116.2306	12.049	202
956	863	893	0:SP2_SP2_SP3	N	O	O	2:1:1:	3:	4:3:	O-2:O-1:O-1:	N-3:	Ga-4:N-3:	N(OGa)(O)2	O(NOO)	O(GaO3)(NOO)	N(OGa)(O)2	O(NOO)	O(GaO3)(NOO)	116.5453	2.593	10	116.5453	6.725	10	116.5453	6.725	10	115.3662	9.736	131	116.2306	12.049	202	116.2306	12.049	202
956	863	893	0:SP2_SP2_SP3	N	O	O	2:1:1:	3:	6:3:	O-2:O-1:O-1:	N-3:	Ga[5,6]-6:N-3:	N(OGa[5,6])(O)2	O(NOO)	O(Ga[5,6]N[5,6]2O[6]2O)(NOO)	N(OGa[5,6])(O)2	O(NOO)	O(Ga[5,6]N[5,6]2O[6]2O)(NOO)	118.8432	0.811	4	118.8432	0.657	4	118.8432	0.657	4	117.5047	7.497	16	116.2306	12.049	202	116.2306	12.049	202
956	863	893	0:SP2_SP2_SP3	N	O	O	2:1:1:	3:	6:3:	O-2:O-1:O-1:	N-3:	Ge-6:N-3:	N(OGe)(O)2	O(NOO)	O(GeO5)(NOO)	N(OGe)(O)2	O(NOO)	O(GeO5)(NOO)	117.0585	3.029	12	117.0585	9.176	12	117.0585	9.176	12	117.5047	7.497	16	116.2306	12.049	202	116.2306	12.049	202
956	863	893	0:SP2_SP2_SP3	N	O	O	3:2:1:	3:	3:1:	C[6]-3:O-2:O-1:	N-3:	N-3:H-1:	N(C[6]C[6]2)(OH)(O)	O(NC[6]O)	O(NC[6]O)(H)	N(C[6]C[6]2)(OH)(O)	O(NC[6]O)	O(NC[6]O)(H)	117.0060	0.000	1	117.0060	0.000	1	117.0060	0.000	1	123.2896	8.502	7	116.2306	12.049	202	116.2306	12.049	202
956	863	893	0:SP2_SP2_SP3	N	O	O	3:2:1:	3:	3:1:	C[6a]-3:O-2:O-1:	N-3:	N-3:H-1:	N(C[6a]C[6a]2)(OH)(O)	O(NC[6a]O)	O(NC[6a]O)(H)	N(C[6a]C[6a]2)(OH)(O)	O(NC[6a]O)	O(NC[6a]O)(H)	124.1628	1.005	5	124.1628	1.009	5	124.1628	1.009	5	123.2896	8.502	7	116.2306	12.049	202	116.2306	12.049	202
956	863	893	0:SP2_SP2_SP3	N	O	O	3:2:1:	3:	3:1:	N-3:O-2:O-1:	N-3:	N-3:H-1:	N(NCC)(OH)(O)	O(NNO)	O(NNO)(H)	N(NCC)(OH)(O)	O(NNO)	O(NNO)(H)	125.2070	0.000	1	125.2070	0.000	1	125.2070	0.000	1	123.2896	8.502	7	116.2306	12.049	202	116.2306	12.049	202
956	863	893	0:SP2_SP2_SP3	N	O	O	4:2:1:	3:	3:1:	C[5,5]-4:O-2:O-1:	N-3:	N-3:H-1:	N(C[5,5]C[5,6a]C[5,5]C[5])(OH)(O)	O(NC[5,5]O)	O(NC[5,5]O)(H)	N(C[5,5]C[5,6a]C[5,5]C[5])(OH)(O)	O(NC[5,5]O)	O(NC[5,5]O)(H)	124.8700	0.000	1	124.8700	0.000	1	124.8700	0.000	1	124.8700	0.000	1	116.2306	12.049	202	116.2306	12.049	202
956	863	899	0:SP2_SP-NON_SP2	N	O	C	1:1:1:	3:	3:	C-1:O-1:O-1:	N-3:	N-3:	N(C)(O)2	O(NCO)	C(NOO)	N(C)(O)2	O(NCO)	C(NOO)	115.7005	3.345	2	115.7005	11.191	2	115.7005	11.191	2	115.7005	11.191	2	115.7005	11.191	2	115.7005	11.191	2
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:1:1:	C-3:O-1:O-1:	N-3:	N-3:H-1:H-1:	N(CHH)(O)2	O(NCO)	C(NOO)(H)2	N(CHH)(O)2	O(NCO)	C(NOO)(H)2	117.7735	0.634	2	117.7735	0.402	2	117.7735	0.402	2	117.7735	0.402	2	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:2:2:	C-3:O-1:O-1:	N-3:	N-3:C-2:C-2:	N(CCC)(O)2	O(NCO)	C(NOO)(CN)2	N(CCC)(O)2	O(NCO)	C(NOO)(CN)2	119.0302	0.662	6	119.0302	0.438	6	119.0302	0.438	6	118.5420	0.633	14	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:2:2:	C-3:O-1:O-1:	N-3:	N-3:N-2:N-2:	N(CNN)(O)2	O(NCO)	C(NOO)(NN)2	N(CNN)(O)2	O(NCO)	C(NOO)(NN)2	118.1759	0.711	8	118.1759	0.506	8	118.1759	0.506	8	118.5420	0.633	14	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:1:	C-3:O-1:O-1:	N-3:	C-3:N-3:H-1:	N(CCH)(O)2	O(NCO)	C(CCH)(NOO)(H)	N(CCH)(O)2	O(NCO)	C(CCH)(NOO)(H)	117.9598	1.551	6	117.9598	2.404	6	118.6001	4.661	106	118.8655	5.761	150	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:1:	C-3:O-1:O-1:	N-3:	C-3:N-3:H-1:	N(CCH)(O)2	O(NCO)	C(CC[5a]C)(NOO)(H)	N(CCH)(O)2	O(NCO)	C(CC[5a]C)(NOO)(H)	118.6130	3.227	2	118.6130	10.415	2	118.6001	4.661	106	118.8655	5.761	150	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:1:	C-3:O-1:O-1:	N-3:	C-3:N-3:H-1:	N(CCH)(O)2	O(NCO)	C(CC[5a]H)(NOO)(H)	N(CCH)(O)2	O(NCO)	C(CC[5a]H)(NOO)(H)	118.4816	1.505	20	118.4816	2.264	20	118.6001	4.661	106	118.8655	5.761	150	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:1:	C-3:O-1:O-1:	N-3:	C-3:N-3:H-1:	N(CCH)(O)2	O(NCO)	C(CC[6a]C)(NOO)(H)	N(CCH)(O)2	O(NCO)	C(CC[6a]C)(NOO)(H)	118.1751	2.578	8	118.1751	6.644	8	118.6001	4.661	106	118.8655	5.761	150	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:1:	C-3:O-1:O-1:	N-3:	C-3:N-3:H-1:	N(CCH)(O)2	O(NCO)	C(CC[6a]Cl)(NOO)(H)	N(CCH)(O)2	O(NCO)	C(CC[6a]Cl)(NOO)(H)	118.0035	3.620	2	118.0035	13.102	2	118.6001	4.661	106	118.8655	5.761	150	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:1:	C-3:O-1:O-1:	N-3:	C-3:N-3:H-1:	N(CCH)(O)2	O(NCO)	C(CC[6a]H)(NOO)(H)	N(CCH)(O)2	O(NCO)	C(CC[6a]H)(NOO)(H)	118.3995	2.287	44	118.3995	5.231	44	118.6001	4.661	106	118.8655	5.761	150	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:1:	C-3:O-1:O-1:	N-3:	C-3:N-3:H-1:	N(CCH)(O)2	O(NCO)	C(CC[6a]N[6])(NOO)(H)	N(CCH)(O)2	O(NCO)	C(CC[6a]N[6])(NOO)(H)	119.4910	4.016	2	119.4910	16.131	2	118.6001	4.661	106	118.8655	5.761	150	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:1:	C-3:O-1:O-1:	N-3:	C-3:N-3:H-1:	N(CCH)(O)2	O(NCO)	C(CC[6a]O)(NOO)(H)	N(CCH)(O)2	O(NCO)	C(CC[6a]O)(NOO)(H)	118.5886	2.895	8	118.5886	8.380	8	118.6001	4.661	106	118.8655	5.761	150	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:1:	C-3:O-1:O-1:	N-3:	C-3:N-3:H-1:	N(CCH)(O)2	O(NCO)	C(CC[6a]S)(NOO)(H)	N(CCH)(O)2	O(NCO)	C(CC[6a]S)(NOO)(H)	118.2070	0.300	2	118.2070	0.090	2	118.6001	4.661	106	118.8655	5.761	150	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:1:	C-3:O-1:O-1:	N-3:	C-3:N-3:H-1:	N(CCH)(O)2	O(NCO)	C(CHN)(NOO)(H)	N(CCH)(O)2	O(NCO)	C(CHN)(NOO)(H)	119.8690	1.633	2	119.8690	2.668	2	118.6001	4.661	106	118.8655	5.761	150	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:1:	C-3:O-1:O-1:	N-3:	C-3:N-3:H-1:	N(CCH)(O)2	O(NCO)	C(CNN)(NOO)(H)	N(CCH)(O)2	O(NCO)	C(CNN)(NOO)(H)	120.4922	1.704	4	120.4922	2.903	4	118.6001	4.661	106	118.8655	5.761	150	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:1:	C-3:O-1:O-1:	N-3:	C-3:N-3:H-1:	N(CCH)(O)2	O(NCO)	C(CNO)(NOO)(H)	N(CCH)(O)2	O(NCO)	C(CNO)(NOO)(H)	121.1715	2.958	2	121.1715	8.749	2	118.6001	4.661	106	118.8655	5.761	150	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:1:	C-3:O-1:O-1:	N-3:	C-3:N-3:H-1:	N(CCH)(O)2	O(NCO)	C(CNS)(NOO)(H)	N(CCH)(O)2	O(NCO)	C(CNS)(NOO)(H)	119.9035	0.424	2	119.9035	0.179	2	118.6001	4.661	106	118.8655	5.761	150	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:1:	C-3:O-1:O-1:	N-3:	C-3:N-3:H-1:	N(CCH)(O)2	O(NCO)	C(CSS)(NOO)(H)	N(CCH)(O)2	O(NCO)	C(CSS)(NOO)(H)	119.0260	1.078	2	119.0260	1.161	2	118.6001	4.661	106	118.8655	5.761	150	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:1:	C-3:O-1:O-1:	N-3:	C[4]-3:N-3:H-1:	N(CC[4]H)(O)2	O(NCO)	C(C[4]S[4]2)(NOO)(H)	N(CC[4]H)(O)2	O(NCO)	C(C[4]S[4]2)(NOO)(H)	118.8630	0.495	2	118.8630	0.245	2	118.8630	0.245	2	118.8655	5.761	150	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:1:	C-3:O-1:O-1:	N-3:	C[4a]-3:N-3:H-1:	N(CC[4a]H)(O)2	O(NCO)	C(C[4a]N[4a]S[4a])(NOO)(H)	N(CC[4a]H)(O)2	O(NCO)	C(C[4a]N[4a]S[4a])(NOO)(H)	118.4558	0.414	6	118.4558	0.172	6	118.4558	0.172	6	118.8655	5.761	150	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:1:	C-3:O-1:O-1:	N-3:	C[5]-3:N-3:H-1:	N(CC[5]H)(O)2	O(NCO)	C(C[5]N[5]2)(NOO)(H)	N(CC[5]H)(O)2	O(NCO)	C(C[5]N[5]2)(NOO)(H)	120.2665	1.587	8	120.2665	2.518	8	119.6793	2.165	14	118.8655	5.761	150	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:1:	C-3:O-1:O-1:	N-3:	C[5]-3:N-3:H-1:	N(CC[5]H)(O)2	O(NCO)	C(C[5]N[5]S[5])(NOO)(H)	N(CC[5]H)(O)2	O(NCO)	C(C[5]N[5]S[5])(NOO)(H)	119.0645	0.251	2	119.0645	0.063	2	119.6793	2.165	14	118.8655	5.761	150	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:1:	C-3:O-1:O-1:	N-3:	C[5]-3:N-3:H-1:	N(CC[5]H)(O)2	O(NCO)	C(C[5]S[5]2)(NOO)(H)	N(CC[5]H)(O)2	O(NCO)	C(C[5]S[5]2)(NOO)(H)	118.8123	1.145	4	118.8123	1.312	4	119.6793	2.165	14	118.8655	5.761	150	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:1:	C-3:O-1:O-1:	N-3:	C[6]-3:N-3:H-1:	N(CC[6]H)(O)2	O(NCO)	C(C[6]C[6,6a]O[6])(NOO)(H)	N(CC[6]H)(O)2	O(NCO)	C(C[6]C[6,6a]O[6])(NOO)(H)	118.7160	1.921	2	118.7160	3.688	2	118.7160	3.688	2	118.8655	5.761	150	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:1:	C-3:O-1:O-1:	N-3:	N-3:N-3:H-1:	N(CHN)(O)2	O(NCO)	C(NOO)2(H)	N(CHN)(O)2	O(NCO)	C(NOO)2(H)	119.8407	3.968	20	119.8407	15.746	20	119.8407	15.746	20	118.8655	5.761	150	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:2:	C-3:O-1:O-1:	N-3:	C-3:N-3:C-2:	N(CCC)(O)2	O(NCO)	C(CC[6a]H)(NOO)(CN)	N(CCC)(O)2	O(NCO)	C(CC[6a]H)(NOO)(CN)	117.7895	1.641	2	117.7895	2.694	2	119.0161	1.588	8	118.9559	6.691	29	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:2:	C-3:O-1:O-1:	N-3:	C-3:N-3:C-2:	N(CCC)(O)2	O(NCO)	C(CC[6a]N)(NOO)(CN)	N(CCC)(O)2	O(NCO)	C(CC[6a]N)(NOO)(CN)	118.8915	1.576	2	118.8915	2.484	2	119.0161	1.588	8	118.9559	6.691	29	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:2:	C-3:O-1:O-1:	N-3:	C-3:N-3:C-2:	N(CCC)(O)2	O(NCO)	C(CNN)(NOO)(CN)	N(CCC)(O)2	O(NCO)	C(CNN)(NOO)(CN)	119.3250	0.330	2	119.3250	0.109	2	119.0161	1.588	8	118.9559	6.691	29	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:2:	C-3:O-1:O-1:	N-3:	C-3:N-3:C-2:	N(CCC)(O)2	O(NCO)	C(CNO)(NOO)(CN)	N(CCC)(O)2	O(NCO)	C(CNO)(NOO)(CN)	120.0585	0.653	2	120.0585	0.426	2	119.0161	1.588	8	118.9559	6.691	29	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:2:	C-3:O-1:O-1:	N-3:	C[5]-3:N-3:N-2:	N(CC[5]N)(O)2	O(NCO)	C(C[5]N[5]2)(NOO)(NN)	N(CC[5]N)(O)2	O(NCO)	C(C[5]N[5]2)(NOO)(NN)	119.6437	2.902	4	119.6437	8.421	4	119.4858	6.050	6	118.9559	6.691	29	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:2:	C-3:O-1:O-1:	N-3:	C[5]-3:N-3:N-2:	N(CC[5]N)(O)2	O(NCO)	C(C[5]N[5]S[5])(NOO)(NN)	N(CC[5]N)(O)2	O(NCO)	C(C[5]N[5]S[5])(NOO)(NN)	119.1700	2.165	2	119.1700	4.688	2	119.4858	6.050	6	118.9559	6.691	29	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:2:	C-3:O-1:O-1:	N-3:	C[6a]-3:N-3:N-2:	N(CC[6a]N)(O)2	O(NCO)	C(C[6a]C[6a]2)(NOO)(NN)	N(CC[6a]N)(O)2	O(NCO)	C(C[6a]C[6a]2)(NOO)(NN)	117.7920	1.514	3	117.7920	2.291	3	117.7920	2.291	3	118.9559	6.691	29	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:2:	C-3:O-1:O-1:	N-3:	N-3:N-3:C-2:	N(CCN)(O)2	O(NCO)	C(NOO)2(CN)	N(CCN)(O)2	O(NCO)	C(NOO)2(CN)	118.9417	3.511	12	118.9417	12.328	12	118.9417	12.328	12	118.9559	6.691	29	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C-3:C-3:N-3:	N(CCC)(O)2	O(NCO)	C(CCC)(CCO)(NOO)	N(CCC)(O)2	O(NCO)	C(CCC)(CCO)(NOO)	117.3620	0.491	2	117.3620	0.241	2	118.8765	1.360	72	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C-3:C-3:N-3:	N(CCC)(O)2	O(NCO)	C(CCH)(CCO)(NOO)	N(CCC)(O)2	O(NCO)	C(CCH)(CCO)(NOO)	118.1150	0.946	2	118.1150	0.895	2	118.8765	1.360	72	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C-3:C-3:N-3:	N(CCC)(O)2	O(NCO)	C(CCH)(CHO)(NOO)	N(CCC)(O)2	O(NCO)	C(CCH)(CHO)(NOO)	120.1735	0.381	2	120.1735	0.145	2	118.8765	1.360	72	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C-3:C-3:N-3:	N(CCC)(O)2	O(NCO)	C(CCH)2(NOO)	N(CCC)(O)2	O(NCO)	C(CCH)2(NOO)	118.6098	0.464	6	118.6098	0.216	6	118.8765	1.360	72	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C-3:C-3:N-3:	N(CCC)(O)2	O(NCO)	C(CCS)(CSS)(NOO)	N(CCC)(O)2	O(NCO)	C(CCS)(CSS)(NOO)	118.2975	0.707	4	118.2975	0.499	4	118.8765	1.360	72	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C-3:C-3:N-3:	N(CCC)(O)2	O(NCO)	C(CC[6a]2)(CCN)(NOO)	N(CCC)(O)2	O(NCO)	C(CC[6a]2)(CCN)(NOO)	117.7860	0.086	2	117.7860	0.007	2	118.8765	1.360	72	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C-3:C-3:N-3:	N(CCC)(O)2	O(NCO)	C(CC[6a]H)(CC[6a]O)(NOO)	N(CCC)(O)2	O(NCO)	C(CC[6a]H)(CC[6a]O)(NOO)	119.1838	2.336	4	119.1838	5.457	4	118.8765	1.360	72	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C-3:C-3:N-3:	N(CCC)(O)2	O(NCO)	C(CClC)(CClS)(NOO)	N(CCC)(O)2	O(NCO)	C(CClC)(CClS)(NOO)	118.2295	0.368	2	118.2295	0.136	2	118.8765	1.360	72	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C-3:C-3:N-3:	N(CCC)(O)2	O(NCO)	C(CClC)(CSS)(NOO)	N(CCC)(O)2	O(NCO)	C(CClC)(CSS)(NOO)	118.2920	1.522	2	118.2920	2.316	2	118.8765	1.360	72	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C-3:C-3:N-3:	N(CCC)(O)2	O(NCO)	C(CHN)2(NOO)	N(CCC)(O)2	O(NCO)	C(CHN)2(NOO)	118.9399	0.660	18	118.9399	0.436	18	118.8765	1.360	72	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C-3:C-3:N-3:	N(CCC)(O)2	O(NCO)	C(CIrC)(COO)(NOO)	N(CCC)(O)2	O(NCO)	C(CIrC)(COO)(NOO)	118.1870	0.396	2	118.1870	0.157	2	118.8765	1.360	72	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C-3:C-3:N-3:	N(CCC)(O)2	O(NCO)	C(CIrH)(CCH)(NOO)	N(CCC)(O)2	O(NCO)	C(CIrH)(CCH)(NOO)	118.9801	0.858	8	118.9801	0.737	8	118.8765	1.360	72	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C-3:C-3:N-3:	N(CCC)(O)2	O(NCO)	C(CNN)(CNS)(NOO)	N(CCC)(O)2	O(NCO)	C(CNN)(CNS)(NOO)	120.0432	2.034	6	120.0432	4.137	6	118.8765	1.360	72	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C-3:C-3:N-3:	N(CCC)(O)2	O(NCO)	C(CN[6]C)(COO)(NOO)	N(CCC)(O)2	O(NCO)	C(CN[6]C)(COO)(NOO)	119.2105	0.493	2	119.2105	0.243	2	118.8765	1.360	72	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C-3:C-3:N-3:	N(CCC)(O)2	O(NCO)	C(CN[6]S)(CClC)(NOO)	N(CCC)(O)2	O(NCO)	C(CN[6]S)(CClC)(NOO)	119.1281	1.202	8	119.1281	1.444	8	118.8765	1.360	72	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C-3:C-3:N-3:	N(CCC)(O)2	O(NCO)	C(COsH)(CCC)(NOO)	N(CCC)(O)2	O(NCO)	C(COsH)(CCC)(NOO)	118.3850	2.114	2	118.3850	4.470	2	118.8765	1.360	72	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C-3:N-3:N-3:	N(CCN)(O)2	O(NCO)	C(CC[5a]H)(NCN)(NOO)	N(CCN)(O)2	O(NCO)	C(CC[5a]H)(NCN)(NOO)	118.0430	1.534	2	118.0430	2.354	2	119.3751	5.781	67	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C-3:N-3:N-3:	N(CCN)(O)2	O(NCO)	C(CC[6]H)(NCN)(NOO)	N(CCN)(O)2	O(NCO)	C(CC[6]H)(NCN)(NOO)	117.7735	0.614	2	117.7735	0.378	2	119.3751	5.781	67	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C-3:N-3:N-3:	N(CCN)(O)2	O(NCO)	C(CC[6a]2)(NOO)2	N(CCN)(O)2	O(NCO)	C(CC[6a]2)(NOO)2	117.8715	0.998	4	117.8715	0.997	4	119.3751	5.781	67	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C-3:N-3:N-3:	N(CCN)(O)2	O(NCO)	C(CC[6a]H)(NCN)(NOO)	N(CCN)(O)2	O(NCO)	C(CC[6a]H)(NCN)(NOO)	117.9983	0.280	3	117.9983	0.079	3	119.3751	5.781	67	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C-3:N-3:N-3:	N(CCN)(O)2	O(NCO)	C(CHN)(NOO)2	N(CCN)(O)2	O(NCO)	C(CHN)(NOO)2	120.0807	2.908	12	120.0807	8.456	12	119.3751	5.781	67	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C-3:N-3:N-3:	N(CCN)(O)2	O(NCO)	C(CNN)(NOO)2	N(CCN)(O)2	O(NCO)	C(CNN)(NOO)2	119.5945	2.604	36	119.5945	6.783	36	119.3751	5.781	67	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C-3:N-3:N-3:	N(CCN)(O)2	O(NCO)	C(CNO)(NOO)2	N(CCN)(O)2	O(NCO)	C(CNO)(NOO)2	119.3315	1.422	8	119.3315	2.021	8	119.3751	5.781	67	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C[5]-3:C-3:N-3:	N(CC[5]C)(O)2	O(NCO)	C(C[5]C[5,6a]C[5])(COO)(NOO)	N(CC[5]C)(O)2	O(NCO)	C(C[5]C[5,6a]C[5])(COO)(NOO)	117.2105	1.323	2	117.2105	1.750	2	120.4826	3.948	12	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C[5]-3:C-3:N-3:	N(CC[5]C)(O)2	O(NCO)	C(C[5]N[5]2)(CNN)(NOO)	N(CC[5]C)(O)2	O(NCO)	C(C[5]N[5]2)(CNN)(NOO)	121.1370	1.333	10	121.1370	1.776	10	120.4826	3.948	12	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C[5]-3:C[5]-3:N-3:	N(CC[5]2)(O)2	O(NCO)	C(C[5]C[5]N[5])2(NOO)	N(CC[5]2)(O)2	O(NCO)	C(C[5]C[5]N[5])2(NOO)	117.5450	0.052	2	117.5450	0.003	2	117.5450	0.003	2	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C[5]-3:N-3:N-3:	N(CC[5]N)(O)2	O(NCO)	C(C[5]C[5]N[5])(NOO)2	N(CC[5]N)(O)2	O(NCO)	C(C[5]C[5]N[5])(NOO)2	119.6440	4.655	4	119.6440	21.672	4	119.4446	9.470	62	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C[5]-3:N-3:N-3:	N(CC[5]N)(O)2	O(NCO)	C(C[5]N[5]2)(NOO)2	N(CC[5]N)(O)2	O(NCO)	C(C[5]N[5]2)(NOO)2	119.4918	2.902	50	119.4918	8.423	50	119.4446	9.470	62	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C[5]-3:N-3:N-3:	N(CC[5]N)(O)2	O(NCO)	C(C[5]N[5]O[5])(NOO)2	N(CC[5]N)(O)2	O(NCO)	C(C[5]N[5]O[5])(NOO)2	119.0498	3.750	8	119.0498	14.062	8	119.4446	9.470	62	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C[5a]-3:C-3:N-3:	N(CC[5a]C)(O)2	O(NCO)	C(C[5a]N[5a]2)(CNN)(NOO)	N(CC[5a]C)(O)2	O(NCO)	C(C[5a]N[5a]2)(CNN)(NOO)	121.0101	1.256	8	121.0101	1.578	8	121.0101	1.578	8	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C[5a]-3:C[5]-3:N-3:	N(CC[5a]C[5])(O)2	O(NCO)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(NOO)	N(CC[5a]C[5])(O)2	O(NCO)	C(C[5a]C[5a]N[5a])(C[5]C[5]N[5])(NOO)	117.5919	0.635	12	117.5919	0.404	12	117.5919	0.404	12	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C[5a]-3:C[5a]-3:N-3:	N(CC[5a]2)(O)2	O(NCO)	C(C[5a]C[5a]N[5a])2(NOO)	N(CC[5a]2)(O)2	O(NCO)	C(C[5a]C[5a]N[5a])2(NOO)	117.5716	0.688	62	117.5716	0.474	62	117.5716	0.474	62	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C[5a]-3:N-3:N-3:	N(CC[5a]N)(O)2	O(NCO)	C(C[5a]C[5a]2)(NOO)2	N(CC[5a]N)(O)2	O(NCO)	C(C[5a]C[5a]2)(NOO)2	120.0700	4.013	4	120.0700	16.101	4	119.6326	10.770	127	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C[5a]-3:N-3:N-3:	N(CC[5a]N)(O)2	O(NCO)	C(C[5a]C[5a]N[5a])(NOO)2	N(CC[5a]N)(O)2	O(NCO)	C(C[5a]C[5a]N[5a])(NOO)2	119.6418	3.387	51	119.6418	11.472	51	119.6326	10.770	127	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C[5a]-3:N-3:N-3:	N(CC[5a]N)(O)2	O(NCO)	C(C[5a]N[5a]2)(NOO)2	N(CC[5a]N)(O)2	O(NCO)	C(C[5a]N[5a]2)(NOO)2	119.7822	3.035	40	119.7822	9.210	40	119.6326	10.770	127	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C[5a]-3:N-3:N-3:	N(CC[5a]N)(O)2	O(NCO)	C(C[5a]N[5a]O[5a])(NOO)2	N(CC[5a]N)(O)2	O(NCO)	C(C[5a]N[5a]O[5a])(NOO)2	119.3763	3.465	32	119.3763	12.004	32	119.6326	10.770	127	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C[6]-3:N-3:N-3:	N(CC[6]N)(O)2	O(NCO)	C(C[6]N[6]2)(NOO)2	N(CC[6]N)(O)2	O(NCO)	C(C[6]N[6]2)(NOO)2	119.2077	2.699	20	119.2077	7.284	20	119.2077	7.284	20	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C[6a]-3:C-3:N-3:	N(CC[6a]C)(O)2	O(NCO)	C(C[6a]C[6a]2)(CCH)(NOO)	N(CC[6a]C)(O)2	O(NCO)	C(C[6a]C[6a]2)(CCH)(NOO)	119.4400	1.800	2	119.4400	3.241	2	119.7009	2.985	8	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C[6a]-3:C-3:N-3:	N(CC[6a]C)(O)2	O(NCO)	C(C[6a]C[6a]2)(CC[6a]H)(NOO)	N(CC[6a]C)(O)2	O(NCO)	C(C[6a]C[6a]2)(CC[6a]H)(NOO)	117.8760	2.309	2	117.8760	5.333	2	119.7009	2.985	8	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C[6a]-3:C-3:N-3:	N(CC[6a]C)(O)2	O(NCO)	C(C[6a]C[6a]2)(CHN)(NOO)	N(CC[6a]C)(O)2	O(NCO)	C(C[6a]C[6a]2)(CHN)(NOO)	120.4895	0.899	2	120.4895	0.808	2	119.7009	2.985	8	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C[6a]-3:C-3:N-3:	N(CC[6a]C)(O)2	O(NCO)	C(C[6a]N[6a]2)(CNN)(NOO)	N(CC[6a]C)(O)2	O(NCO)	C(C[6a]N[6a]2)(CNN)(NOO)	120.9980	0.325	2	120.9980	0.106	2	119.7009	2.985	8	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	C[6a]-3:C[6a]-3:N-3:	N(CC[6a]2)(O)2	O(NCO)	C(C[6a]C[6a]2)2(NOO)	N(CC[6a]2)(O)2	O(NCO)	C(C[6a]C[6a]2)2(NOO)	121.6890	2.386	2	121.6890	5.692	2	121.6890	5.692	2	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	N-3:N-3:N-3:	N(CNN)(O)2	O(NCO)	C(NOO)3	N(CNN)(O)2	O(NCO)	C(NOO)3	118.5289	2.213	58	118.5289	4.897	58	118.5289	4.897	58	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	N[5a]-3:N-3:N-3:	N(CN[5a]N)(O)2	O(NCO)	C(N[5a]C[5a]N[5a])(NOO)2	N(CN[5a]N)(O)2	O(NCO)	C(N[5a]C[5a]N[5a])(NOO)2	119.3675	2.630	24	119.3675	6.915	24	119.2680	6.415	36	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:3:3:	C-3:O-1:O-1:	N-3:	N[5a]-3:N-3:N-3:	N(CN[5a]N)(O)2	O(NCO)	C(N[5a]N[5a]2)(NOO)2	N(CN[5a]N)(O)2	O(NCO)	C(N[5a]N[5a]2)(NOO)2	119.0690	2.426	12	119.0690	5.887	12	119.2680	6.415	36	119.0860	6.374	548	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:4:3:	C-3:O-1:O-1:	N-3:	C-3:C-4:N-3:	N(CCC)(O)2	O(NCO)	C(CC[5a]H)(CH3)(NOO)	N(CCC)(O)2	O(NCO)	C(CC[5a]H)(CH3)(NOO)	118.9651	1.374	8	118.9651	1.889	8	118.6919	1.662	36	118.6919	1.662	36	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:4:3:	C-3:O-1:O-1:	N-3:	C-3:C-4:N-3:	N(CCC)(O)2	O(NCO)	C(CC[6a]H)(CCHH)(NOO)	N(CCC)(O)2	O(NCO)	C(CC[6a]H)(CCHH)(NOO)	118.8760	1.615	2	118.8760	2.608	2	118.6919	1.662	36	118.6919	1.662	36	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:4:3:	C-3:O-1:O-1:	N-3:	C-3:C-4:N-3:	N(CCC)(O)2	O(NCO)	C(CC[6a]H)(CCHO)(NOO)	N(CCC)(O)2	O(NCO)	C(CC[6a]H)(CCHO)(NOO)	118.1520	2.694	2	118.1520	7.258	2	118.6919	1.662	36	118.6919	1.662	36	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:4:3:	C-3:O-1:O-1:	N-3:	C-3:C-4:N-3:	N(CCC)(O)2	O(NCO)	C(CC[6a]H)(CH3)(NOO)	N(CCC)(O)2	O(NCO)	C(CC[6a]H)(CH3)(NOO)	118.6430	1.290	20	118.6430	1.664	20	118.6919	1.662	36	118.6919	1.662	36	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	3:4:3:	C-3:O-1:O-1:	N-3:	C-3:C-4:N-3:	N(CCC)(O)2	O(NCO)	C(CC[6a]H)(CHHO)(NOO)	N(CCC)(O)2	O(NCO)	C(CC[6a]H)(CHHO)(NOO)	118.5675	0.838	4	118.5675	0.703	4	118.6919	1.662	36	118.6919	1.662	36	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	4:3:1:	C-3:O-1:O-1:	N-3:	C-4:N-3:H-1:	N(CCH)(O)2	O(NCO)	C(CC[6a]CH)(NOO)(H)	N(CCH)(O)2	O(NCO)	C(CC[6a]CH)(NOO)(H)	117.9080	0.054	2	117.9080	0.003	2	117.9080	0.003	2	117.9080	0.003	2	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	4:3:2:	C-3:O-1:O-1:	N-3:	C-4:N-3:N-2:	N(CCN)(O)2	O(NCO)	C(CCHH)(NOO)(NN)	N(CCN)(O)2	O(NCO)	C(CCHH)(NOO)(NN)	117.8220	2.120	2	117.8220	4.494	2	117.8220	4.494	2	117.8220	4.494	2	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	4:3:3:	C-3:O-1:O-1:	N-3:	C-4:C-3:N-3:	N(CCC)(O)2	O(NCO)	C(CCHH)(CCH)(NOO)	N(CCC)(O)2	O(NCO)	C(CCHH)(CCH)(NOO)	118.4631	1.414	8	118.4631	1.998	8	118.7456	2.107	24	119.1117	4.952	36	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	4:3:3:	C-3:O-1:O-1:	N-3:	C-4:C-3:N-3:	N(CCC)(O)2	O(NCO)	C(CC[5a]CH)(CC[5a]H)(NOO)	N(CCC)(O)2	O(NCO)	C(CC[5a]CH)(CC[5a]H)(NOO)	118.5880	1.258	4	118.5880	1.584	4	118.7456	2.107	24	119.1117	4.952	36	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	4:3:3:	C-3:O-1:O-1:	N-3:	C-4:C-3:N-3:	N(CCC)(O)2	O(NCO)	C(CC[6a]CH)(CCH)(NOO)	N(CCC)(O)2	O(NCO)	C(CC[6a]CH)(CCH)(NOO)	118.2645	0.943	2	118.2645	0.888	2	118.7456	2.107	24	119.1117	4.952	36	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	4:3:3:	C-3:O-1:O-1:	N-3:	C-4:C-3:N-3:	N(CCC)(O)2	O(NCO)	C(CC[6a]CH)(CHH)(NOO)	N(CCC)(O)2	O(NCO)	C(CC[6a]CH)(CHH)(NOO)	118.6255	0.558	2	118.6255	0.311	2	118.7456	2.107	24	119.1117	4.952	36	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	4:3:3:	C-3:O-1:O-1:	N-3:	C-4:C-3:N-3:	N(CCC)(O)2	O(NCO)	C(CC[6a]CH)(CNN)(NOO)	N(CCC)(O)2	O(NCO)	C(CC[6a]CH)(CNN)(NOO)	119.6465	0.231	2	119.6465	0.053	2	118.7456	2.107	24	119.1117	4.952	36	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	4:3:3:	C-3:O-1:O-1:	N-3:	C-4:C-3:N-3:	N(CCC)(O)2	O(NCO)	C(CC[6a]HP)(CC[6a]O)(NOO)	N(CCC)(O)2	O(NCO)	C(CC[6a]HP)(CC[6a]O)(NOO)	120.2260	4.155	2	120.2260	17.264	2	118.7456	2.107	24	119.1117	4.952	36	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	4:3:3:	C-3:O-1:O-1:	N-3:	C-4:C-3:N-3:	N(CCC)(O)2	O(NCO)	C(CH3)(CCH)(NOO)	N(CCC)(O)2	O(NCO)	C(CH3)(CCH)(NOO)	118.5780	1.132	4	118.5780	1.282	4	118.7456	2.107	24	119.1117	4.952	36	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	4:3:3:	C-3:O-1:O-1:	N-3:	C-4:N-3:N-3:	N(CCN)(O)2	O(NCO)	C(CHHN)(NOO)2	N(CCN)(O)2	O(NCO)	C(CHHN)(NOO)2	119.9756	4.006	8	119.9756	16.046	8	119.9756	16.046	8	119.1117	4.952	36	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	4:3:3:	C-3:O-1:O-1:	N-3:	C[5]-4:C-3:N-3:	N(CC[5]C)(O)2	O(NCO)	C(C[5]C[5]2O)(CC[5a]H)(NOO)	N(CC[5]C)(O)2	O(NCO)	C(C[5]C[5]2O)(CC[5a]H)(NOO)	119.5270	1.228	2	119.5270	1.507	2	119.5270	1.507	2	119.1117	4.952	36	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	4:3:3:	C-3:O-1:O-1:	N-3:	C[6]-4:C-3:N-3:	N(CC[6]C)(O)2	O(NCO)	C(C[6]C[6]2H)(CHN)(NOO)	N(CC[6]C)(O)2	O(NCO)	C(C[6]C[6]2H)(CHN)(NOO)	119.6340	0.977	2	119.6340	0.955	2	119.6340	0.955	2	119.1117	4.952	36	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:1:1:	3:	4:4:3:	C-3:H-1:O-1:	N-3:	C[6]-4:C-4:N-3:	N(CC[6]C)(H)(O)	O(NCH)	C(C[6]C[5,6]C[6]H)(CH3)(NHO)	N(CC[6]C)(H)(O)	O(NCH)	C(C[6]C[5,6]C[6]H)(CH3)(NHO)	108.9930	0.000	1	108.9930	0.000	1	108.9930	0.000	1	108.9930	0.000	1	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:2:1:	3:	3:3:1:	C-3:O-2:O-1:	N-3:	C-3:N-3:H-1:	N(CCH)(OMn)(O)	O(NCO)	C(CC[6a]O)(NOO)(H)	N(CCH)(OMn)(O)	O(NCO)	C(CC[6a]O)(NOO)(H)	119.7530	0.000	1	119.7530	0.000	1	117.4360	10.737	2	117.4360	10.737	2	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:2:1:	3:	3:3:1:	C-3:O-2:O-1:	N-3:	C-3:N-3:H-1:	N(CCH)(ORh)(O)	O(NCO)	C(CC[6a]H)(NOO)(H)	N(CCH)(ORh)(O)	O(NCO)	C(CC[6a]H)(NOO)(H)	115.1190	0.000	1	115.1190	0.000	1	117.4360	10.737	2	117.4360	10.737	2	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:2:1:	3:	3:3:3:	C-3:N-2:O-1:	N-3:	C-3:C-3:N-3:	N(CCC)(NO)(O)	O(NCN)	C(CCO)(COO)(NNO)	N(CCC)(NO)(O)	O(NCN)	C(CCO)(COO)(NNO)	119.9640	0.000	1	119.9640	0.000	1	119.9640	0.000	1	119.9640	0.000	1	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:2:1:	3:	4:4:3:	C-3:N-2:O-1:	N-3:	C-4:C-4:N-3:	N(CCC)(NC)(O)	O(NCN)	C(CH3)2(NNO)	N(CCC)(NC)(O)	O(NCN)	C(CH3)2(NNO)	115.5480	0.000	1	115.5480	0.000	1	115.5480	0.000	1	115.5480	0.000	1	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:3:1:	3:	3:2:1:	C[6a]-3:C-3:O-1:	N-3:	N-3:N-2:H-1:	N(C[6a]C[6a]2)(CHN)(O)	O(NC[6a]C)	C(NC[6a]O)(NC[6a])(H)	N(C[6a]C[6a]2)(CHN)(O)	O(NC[6a]C)	C(NC[6a]O)(NC[6a])(H)	120.3360	0.000	1	120.3360	0.000	1	120.3360	0.000	1	120.3360	0.000	1	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:3:1:	3:	3:2:2:	C-3:C-3:O-1:	N-3:	N-3:C-2:C-2:	N(CCC)2(O)	O(NCC)	C(NCO)(CN)2	N(CCC)2(O)	O(NCC)	C(NCO)(CN)2	116.6760	0.000	1	116.6760	0.000	1	116.6760	0.000	1	116.6760	0.000	1	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:3:1:	3:	3:3:1:	C-3:C-3:O-1:	N-3:	C[6a]-3:N-3:H-1:	N(CC[6a]H)(CCC)(O)	O(NCC)	C(C[6a]C[6a]2)(NCO)(H)	N(CC[6a]H)(CCC)(O)	O(NCC)	C(C[6a]C[6a]2)(NCO)(H)	126.1285	0.356	2	126.1285	0.127	2	126.1285	0.127	2	123.9467	1.534	18	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:3:1:	3:	3:3:1:	C[6a]-3:C-3:O-1:	N-3:	C-3:N-3:H-1:	N(C[6a]C[6a]2)(CCH)(O)	O(NC[6a]C)	C(CC[6a]N)(NC[6a]O)(H)	N(C[6a]C[6a]2)(CCH)(O)	O(NC[6a]C)	C(CC[6a]N)(NC[6a]O)(H)	124.1950	0.000	1	124.1950	0.000	1	124.1950	0.000	1	123.9467	1.534	18	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:3:1:	3:	3:3:1:	C[6a]-3:C-3:O-1:	N-3:	C[5a]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[5a]H)(O)	O(NC[6a]C)	C(C[5a]C[5a]2)(NC[6a]O)(H)	N(C[6a]C[6a]2)(CC[5a]H)(O)	O(NC[6a]C)	C(C[5a]C[5a]2)(NC[6a]O)(H)	123.0850	0.000	2	123.0850	0.000	2	123.0850	0.000	2	123.9467	1.534	18	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:3:1:	3:	3:3:1:	C[6a]-3:C-3:O-1:	N-3:	C[6a]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6a]H)(O)	O(NC[6a]C)	C(C[6a]C[6a]2)(NC[6a]O)(H)	N(C[6a]C[6a]2)(CC[6a]H)(O)	O(NC[6a]C)	C(C[6a]C[6a]2)(NC[6a]O)(H)	123.8048	1.097	12	123.8048	1.204	12	123.8048	1.204	12	123.9467	1.534	18	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:3:1:	3:	3:3:1:	C[6a]-3:C-3:O-1:	N-3:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(CCH)(O)	O(NC[6a]C)	C(NC[6a]O)(CCH)(H)	N(C[6a]C[6a]2)(CCH)(O)	O(NC[6a]C)	C(NC[6a]O)(CCH)(H)	122.7600	0.000	1	122.7600	0.000	1	122.7600	0.000	1	123.9467	1.534	18	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:3:1:	3:	3:3:3:	C-3:C-3:O-1:	N-3:	C-3:C-3:N-3:	N(CC[6a]H)(CCC)(O)	O(NCC)	C(CC[6a]H)(COO)(NCO)	N(CC[6a]H)(CCC)(O)	O(NCC)	C(CC[6a]H)(COO)(NCO)	114.6040	0.000	1	114.6040	0.000	1	114.6040	0.000	1	123.2013	8.261	14	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:3:1:	3:	3:3:3:	C[6a]-3:C-3:O-1:	N-3:	C-3:N-3:C-3:	N(C[6a]C[6a]2)(CCC)(O)	O(NC[6a]C)	C(CC[5a]N)(NC[6a]O)(COO)	N(C[6a]C[6a]2)(CCC)(O)	O(NC[6a]C)	C(CC[5a]N)(NC[6a]O)(COO)	122.2590	0.000	1	122.2590	0.000	1	122.2590	0.000	1	123.2013	8.261	14	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:3:1:	3:	3:3:3:	C[6a]-3:C-3:O-1:	N-3:	C[6a]-3:C-3:N-3:	N(C[6a]C[6a]2)(CC[6a]C)(O)	O(NC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a]O)	N(C[6a]C[6a]2)(CC[6a]C)(O)	O(NC[6a]C)	C(C[6a]C[6a]2)(CC[6a]O)(NC[6a]O)	124.8755	0.320	2	124.8755	0.103	2	124.8755	0.103	2	123.2013	8.261	14	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:3:1:	3:	3:3:3:	C[6a]-3:C-3:O-1:	N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(CC[6a]2)(O)	O(NC[6a]C)	C(C[6a]C[6a]2)2(NC[6a]O)	N(C[6a]C[6a]2)(CC[6a]2)(O)	O(NC[6a]C)	C(C[6a]C[6a]2)2(NC[6a]O)	122.4750	0.000	1	122.4750	0.000	1	122.4750	0.000	1	123.2013	8.261	14	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:3:1:	3:	3:3:3:	C[6a]-3:C-3:O-1:	N-3:	C[6a]-3:N-3:C-3:	N(C[6a]C[6a]2)(CC[6a]C)(O)	O(NC[6a]C)	C(C[6a]C[6a]2)(NC[6a]O)(CNO)	N(C[6a]C[6a]2)(CC[6a]C)(O)	O(NC[6a]C)	C(C[6a]C[6a]2)(NC[6a]O)(CNO)	124.7390	0.613	5	124.7390	0.376	5	124.6841	0.788	7	123.2013	8.261	14	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:3:1:	3:	3:3:3:	C[6a]-3:C-3:O-1:	N-3:	C[6a]-3:N-3:C-3:	N(C[6a]C[6a]2)(CC[6a]C)(O)	O(NC[6a]C)	C(C[6a]C[6a]2)(NC[6a]O)(COO)	N(C[6a]C[6a]2)(CC[6a]C)(O)	O(NC[6a]C)	C(C[6a]C[6a]2)(NC[6a]O)(COO)	124.5470	1.780	2	124.5470	3.170	2	124.6841	0.788	7	123.2013	8.261	14	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:3:1:	3:	3:3:3:	C[6a]-3:C-3:O-1:	N-3:	N-3:C-3:C-3:	N(C[6a]C[6a]2)(CCC)(O)	O(NC[6a]C)	C(NC[6a]O)(CCN)(COO)	N(C[6a]C[6a]2)(CCC)(O)	O(NC[6a]C)	C(NC[6a]O)(CCN)(COO)	121.4700	0.496	2	121.4700	0.246	2	121.4700	0.246	2	123.2013	8.261	14	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:3:1:	3:	3:3:4:	C[6a]-3:C-3:O-1:	N-3:	C-3:N-3:C-4:	N(C[6a]C[6a]2)(CCC)(O)	O(NC[6a]C)	C(CC[6a]O)(NC[6a]O)(CHHO)	N(C[6a]C[6a]2)(CCC)(O)	O(NC[6a]C)	C(CC[6a]O)(NC[6a]O)(CHHO)	121.9760	0.000	1	121.9760	0.000	1	121.9760	0.000	1	123.3400	3.721	2	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:3:1:	3:	3:3:4:	C[6a]-3:C-3:O-1:	N-3:	C[6a]-3:N-3:C-4:	N(C[6a]C[6a]2)(CC[6a]C)(O)	O(NC[6a]C)	C(C[6a]C[6a]2)(NC[6a]O)(CH3)	N(C[6a]C[6a]2)(CC[6a]C)(O)	O(NC[6a]C)	C(C[6a]C[6a]2)(NC[6a]O)(CH3)	124.7040	0.000	1	124.7040	0.000	1	124.7040	0.000	1	123.3400	3.721	2	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:3:1:	3:	3:4:3:	C-3:C-3:O-1:	N-3:	C-3:C-4:N-3:	N(CC[6a]H)(CCC)(O)	O(NCC)	C(CC[6a]H)(CH3)(NCO)	N(CC[6a]H)(CCC)(O)	O(NCC)	C(CC[6a]H)(CH3)(NCO)	114.6180	0.000	1	114.6180	0.000	1	114.6180	0.000	1	120.5530	26.448	3	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:3:1:	3:	3:4:3:	C[6a]-3:C-3:O-1:	N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(O)	O(NC[6a]C)	C(NC[6a]O)(CCHH)(CCH)	N(C[6a]C[6a]2)(CCC)(O)	O(NC[6a]C)	C(NC[6a]O)(CCHH)(CCH)	123.3480	0.000	1	123.3480	0.000	1	123.5205	0.060	2	120.5530	26.448	3	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:3:1:	3:	3:4:3:	C[6a]-3:C-3:O-1:	N-3:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(CCC)(O)	O(NC[6a]C)	C(NC[6a]O)(CCHH)(CNO)	N(C[6a]C[6a]2)(CCC)(O)	O(NC[6a]C)	C(NC[6a]O)(CCHH)(CNO)	123.6930	0.000	1	123.6930	0.000	1	123.5205	0.060	2	120.5530	26.448	3	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:3:1:	3:	4:3:1:	C[6a]-3:C-3:O-1:	N-3:	C[5]-4:N-3:H-1:	N(C[6a]C[6a]2)(CC[5]H)(O)	O(NC[6a]C)	C(C[5]C[5]N[5]H)(NC[6a]O)(H)	N(C[6a]C[6a]2)(CC[5]H)(O)	O(NC[6a]C)	C(C[5]C[5]N[5]H)(NC[6a]O)(H)	121.2863	0.410	3	121.2863	0.168	3	121.2863	0.168	3	121.2863	0.168	3	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:4:1:	3:	3:3:1:	C-3:C-4:O-1:	N-3:	C[5a]-3:N-3:H-1:	N(CC[5a]H)(CH3)(O)	O(NCC)	C(C[5a]N[5a]S[5a])(NCO)(H)	N(CC[5a]H)(CH3)(O)	O(NCC)	C(C[5a]N[5a]S[5a])(NCO)(H)	123.4910	0.000	1	123.4910	0.000	1	123.4910	0.000	1	123.5304	0.684	16	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:4:1:	3:	3:3:1:	C-3:C-4:O-1:	N-3:	C[6a]-3:N-3:H-1:	N(CC[6a]H)(CC3)(O)	O(NCC)	C(C[6a]C[6,6a]C[6a])(NCO)(H)	N(CC[6a]H)(CC3)(O)	O(NCC)	C(C[6a]C[6,6a]C[6a])(NCO)(H)	125.3630	0.000	1	125.3630	0.000	1	123.5330	0.733	15	123.5304	0.684	16	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:4:1:	3:	3:3:1:	C-3:C-4:O-1:	N-3:	C[6a]-3:N-3:H-1:	N(CC[6a]H)(CC3)(O)	O(NCC)	C(C[6a]C[6a]2)(NCO)(H)	N(CC[6a]H)(CC3)(O)	O(NCC)	C(C[6a]C[6a]2)(NCO)(H)	123.2766	0.576	12	123.2766	0.332	12	123.5330	0.733	15	123.5304	0.684	16	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:4:1:	3:	3:3:1:	C-3:C-4:O-1:	N-3:	C[6a]-3:N-3:H-1:	N(CC[6a]H)(CCCP)(O)	O(NCC)	C(C[6a]C[6a]2)(NCO)(H)	N(CC[6a]H)(CCCP)(O)	O(NCC)	C(C[6a]C[6a]2)(NCO)(H)	123.2360	0.000	1	123.2360	0.000	1	123.5330	0.733	15	123.5304	0.684	16	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:4:1:	3:	3:3:1:	C-3:C-4:O-1:	N-3:	C[6a]-3:N-3:H-1:	N(CC[6a]H)(CCHH)(O)	O(NCC)	C(C[6a]C[6a]2)(NCO)(H)	N(CC[6a]H)(CCHH)(O)	O(NCC)	C(C[6a]C[6a]2)(NCO)(H)	125.0770	0.000	1	125.0770	0.000	1	123.5330	0.733	15	123.5304	0.684	16	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:4:1:	3:	3:3:2:	C-3:C-4:O-1:	N-3:	C[6]-3:N-3:N-2:	N(CC[6]N)(CC3)(O)	O(NCC)	C(C[6]C[6]N[6])(NCO)(NPt)	N(CC[6]N)(CC3)(O)	O(NCC)	C(C[6]C[6]N[6])(NCO)(NPt)	125.3920	0.000	1	125.3920	0.000	1	125.3920	0.000	1	125.3920	0.000	1	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:4:1:	3:	3:3:3:	C-3:C-4:O-1:	N-3:	C[6a]-3:C[6a]-3:N-3:	N(CC[6a]2)(CCCH)(O)	O(NCC)	C(C[6a]C[6a]2)2(NCO)	N(CC[6a]2)(CCCH)(O)	O(NCC)	C(C[6a]C[6a]2)2(NCO)	124.6517	0.495	3	124.6517	0.245	3	124.6172	0.168	4	124.6172	0.168	4	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:4:1:	3:	3:3:3:	C-3:C-4:O-1:	N-3:	C[6a]-3:C[6a]-3:N-3:	N(CC[6a]2)(CH3)(O)	O(NCC)	C(C[6a]C[6a]2)2(NCO)	N(CC[6a]2)(CH3)(O)	O(NCC)	C(C[6a]C[6a]2)2(NCO)	124.5140	0.000	1	124.5140	0.000	1	124.6172	0.168	4	124.6172	0.168	4	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	3:4:1:	3:	4:3:1:	C-3:C-4:O-1:	N-3:	C[5]-4:N-3:H-1:	N(CC[5]H)(CCCH)(O)	O(NCC)	C(C[5]C[5]O[5]H)(NCO)(H)	N(CC[5]H)(CCCH)(O)	O(NCC)	C(C[5]C[5]O[5]H)(NCO)(H)	121.0230	0.000	1	121.0230	0.000	1	121.0230	0.000	1	121.0230	0.000	1	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	4:3:1:	3:	3:2:1:	C-4:C-3:O-1:	N-3:	N-3:S-2:H-1:	N(CHHS)(CHS)(O)	O(NCC)	C(NCO)(SC)(H)	N(CHHS)(CHS)(O)	O(NCC)	C(NCO)(SC)(H)	106.2890	0.000	1	106.2890	0.000	1	106.2890	0.000	1	106.2890	0.000	1	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	4:3:1:	3:	3:3:1:	C-4:C-3:O-1:	N-3:	C-3:N-3:H-1:	N(CCHH)(CCH)(O)	O(NCC)	C(CHN)(NCO)(H)	N(CCHH)(CCH)(O)	O(NCC)	C(CHN)(NCO)(H)	123.2695	0.050	2	123.2695	0.003	2	124.4077	3.888	3	124.4077	3.888	3	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	4:3:1:	3:	3:3:1:	C-4:C-3:O-1:	N-3:	C-3:N-3:H-1:	N(CC[6a]CH)(CCH)(O)	O(NCC)	C(COO)(NCO)(H)	N(CC[6a]CH)(CCH)(O)	O(NCC)	C(COO)(NCO)(H)	126.6840	0.000	1	126.6840	0.000	1	124.4077	3.888	3	124.4077	3.888	3	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	4:3:1:	3:	3:3:3:	C-4:C-3:O-1:	N-3:	C[6a]-3:C-3:N-3:	N(CC[6a]HH)(CC[6a]C)(O)	O(NCC)	C(C[6a]C[6a]2)(CCH)(NCO)	N(CC[6a]HH)(CC[6a]C)(O)	O(NCC)	C(C[6a]C[6a]2)(CCH)(NCO)	123.4230	0.000	1	123.4230	0.000	1	123.4230	0.000	1	123.7980	0.448	3	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	4:3:1:	3:	3:3:3:	C-4:C-3:O-1:	N-3:	C[6a]-3:C[6a]-3:N-3:	N(CC[6a]HH)(CC[6a]2)(O)	O(NCC)	C(C[6a]C[6a]2)2(NCO)	N(CC[6a]HH)(CC[6a]2)(O)	O(NCC)	C(C[6a]C[6a]2)2(NCO)	124.5710	0.000	1	124.5710	0.000	1	124.5710	0.000	1	123.7980	0.448	3	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	4:3:1:	3:	3:3:3:	C[3]-4:C-3:O-1:	N-3:	C[6a]-3:C[6a]-3:N-3:	N(C[3]C[3]2H)(CC[6a]2)(O)	O(NC[3]C)	C(C[6a]C[6a]2)2(NC[3]O)	N(C[3]C[3]2H)(CC[6a]2)(O)	O(NC[3]C)	C(C[6a]C[6a]2)2(NC[3]O)	123.4000	0.000	1	123.4000	0.000	1	123.4000	0.000	1	123.7980	0.448	3	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	4:3:1:	3:	3:4:1:	C[6]-4:C-3:O-1:	N-3:	N-3:C-4:H-1:	N(C[6]C[6,6]C[6]H)(CCH)(O)	O(NC[6]C)	C(NC[6]O)(CCHH)(H)	N(C[6]C[6,6]C[6]H)(CCH)(O)	O(NC[6]C)	C(NC[6]O)(CCHH)(H)	122.5620	0.000	1	122.5620	0.000	1	122.8110	0.124	2	122.8110	0.124	2	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	4:3:1:	3:	3:4:1:	C[6]-4:C-3:O-1:	N-3:	N-3:C-4:H-1:	N(C[6]C[6]2H)(CCH)(O)	O(NC[6]C)	C(NC[6]O)(CCCH)(H)	N(C[6]C[6]2H)(CCH)(O)	O(NC[6]C)	C(NC[6]O)(CCCH)(H)	123.0600	0.000	1	123.0600	0.000	1	122.8110	0.124	2	122.8110	0.124	2	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	4:3:1:	3:	4:3:1:	C-4:C-3:O-1:	N-3:	C-4:N-3:H-1:	N(CC3)(CCH)(O)	O(NCC)	C(CCCH)(NCO)(H)	N(CC3)(CCH)(O)	O(NCC)	C(CCCH)(NCO)(H)	122.5835	0.386	4	122.5835	0.149	4	123.1321	0.623	10	123.1460	0.563	11	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	4:3:1:	3:	4:3:1:	C-4:C-3:O-1:	N-3:	C-4:N-3:H-1:	N(CC3)(CCH)(O)	O(NCC)	C(CC[6a]CH)(NCO)(H)	N(CC3)(CCH)(O)	O(NCC)	C(CC[6a]CH)(NCO)(H)	123.1130	0.000	2	123.1130	0.000	2	123.1321	0.623	10	123.1460	0.563	11	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	4:3:1:	3:	4:3:1:	C-4:C-3:O-1:	N-3:	C-4:N-3:H-1:	N(CCHH)(CCH)(O)	O(NCC)	C(CH3)(NCO)(H)	N(CCHH)(CCH)(O)	O(NCC)	C(CH3)(NCO)(H)	122.6280	0.000	1	122.6280	0.000	1	123.1321	0.623	10	123.1460	0.563	11	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	4:3:1:	3:	4:3:1:	C-4:C-3:O-1:	N-3:	C-4:N-3:H-1:	N(CC[6a]CH)(CCH)(O)	O(NCC)	C(CCHH)(NCO)(H)	N(CC[6a]CH)(CCH)(O)	O(NCC)	C(CCHH)(NCO)(H)	123.5430	0.000	1	123.5430	0.000	1	123.1321	0.623	10	123.1460	0.563	11	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	4:3:1:	3:	4:3:1:	C-4:C-3:O-1:	N-3:	C-4:N-3:H-1:	N(CC[6a]CH)(CCH)(O)	O(NCC)	C(CF3)(NCO)(H)	N(CC[6a]CH)(CCH)(O)	O(NCC)	C(CF3)(NCO)(H)	124.9380	0.000	1	124.9380	0.000	1	123.1321	0.623	10	123.1460	0.563	11	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	4:3:1:	3:	4:3:1:	C-4:C-3:O-1:	N-3:	C-4:N-3:H-1:	N(CC[6a]HH)(CCH)(O)	O(NCC)	C(CCHN)(NCO)(H)	N(CC[6a]HH)(CCH)(O)	O(NCC)	C(CCHN)(NCO)(H)	123.6520	0.000	1	123.6520	0.000	1	123.1321	0.623	10	123.1460	0.563	11	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	4:3:1:	3:	4:3:1:	C-4:C-3:O-1:	N-3:	C[5]-4:N-3:H-1:	N(CC[6a]HH)(CC[5]H)(O)	O(NCC)	C(C[5]C[5]O[5]H)(NCO)(H)	N(CC[6a]HH)(CC[5]H)(O)	O(NCC)	C(C[5]C[5]O[5]H)(NCO)(H)	123.2850	0.000	1	123.2850	0.000	1	123.2850	0.000	1	123.1460	0.563	11	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	4:3:1:	3:	4:3:3:	C-4:C-3:O-1:	N-3:	C-4:C-3:N-3:	N(CCCH)(CCC)(O)	O(NCC)	C(CCHH)(COO)(NCO)	N(CCCH)(CCC)(O)	O(NCC)	C(CCHH)(COO)(NCO)	120.2230	0.000	1	120.2230	0.000	1	120.6918	0.925	5	120.6918	0.925	5	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	4:3:1:	3:	4:3:3:	C-4:C-3:O-1:	N-3:	C-4:C-3:N-3:	N(CC[6a]CH)(CCC)(O)	O(NCC)	C(CCHH)(COO)(NCO)	N(CC[6a]CH)(CCC)(O)	O(NCC)	C(CCHH)(COO)(NCO)	120.8090	1.068	4	120.8090	1.141	4	120.6918	0.925	5	120.6918	0.925	5	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	4:3:1:	3:	4:4:3:	C-4:C-3:O-1:	N-3:	C-4:C-4:N-3:	N(CCHH)(CCC)(O)	O(NCC)	C(CH3)2(NCO)	N(CCHH)(CCC)(O)	O(NCC)	C(CH3)2(NCO)	122.0410	0.000	1	122.0410	0.000	1	126.2315	35.121	2	126.2315	35.121	2	119.3870	7.610	915	119.3870	7.610	915
956	863	930	0:SP2_SP2_SP2	N	O	C	4:3:1:	3:	4:4:3:	C-4:C-3:O-1:	N-3:	C-4:C-4:N-3:	N(CH3)(CCC)(O)	O(NCC)	C(CH3)2(NCO)	N(CH3)(CCC)(O)	O(NCC)	C(CH3)2(NCO)	130.4220	0.000	1	130.4220	0.000	1	126.2315	35.121	2	126.2315	35.121	2	119.3870	7.610	915	119.3870	7.610	915
956	863	941	0:SP2_SP2_SP2	N	O	N	2:1:1:	3:	3:2:	N-2:O-1:O-1:	N-3:	N-3:C-2:	N(NC)(O)2	O(NNO)	N(NOO)(CN)	N(NC)(O)2	O(NNO)	N(NOO)(CN)	118.8619	3.229	8	118.8619	10.426	8	118.8619	10.426	8	118.8619	10.426	8	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	2:1:1:	3:	3:3:	N-2:O-1:O-1:	N-3:	C-3:N-3:	N(NC)(O)2	O(NNO)	N(CNN)(NOO)	N(NC)(O)2	O(NNO)	N(CNN)(NOO)	119.5625	4.670	46	119.5625	21.807	46	119.3954	21.828	66	119.3943	23.210	598	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	2:1:1:	3:	3:3:	N-2:O-1:O-1:	N-3:	C-3:N-3:	N(NC)(O)2	O(NNO)	N(CNO)(NOO)	N(NC)(O)2	O(NNO)	N(CNO)(NOO)	119.6083	5.518	10	119.6083	30.443	10	119.3954	21.828	66	119.3943	23.210	598	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	2:1:1:	3:	3:3:	N-2:O-1:O-1:	N-3:	C-3:N-3:	N(NC)(O)2	O(NNO)	N(COO)(NOO)	N(NC)(O)2	O(NNO)	N(COO)(NOO)	118.4135	4.111	10	118.4135	16.902	10	119.3954	21.828	66	119.3943	23.210	598	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	2:1:1:	3:	3:3:	N-2:O-1:O-1:	N-3:	C[5]-3:N-3:	N(NC[5])(O)2	O(NNO)	N(C[5]C[5]N[5])(NOO)	N(NC[5])(O)2	O(NNO)	N(C[5]C[5]N[5])(NOO)	120.5233	4.509	4	120.5233	20.329	4	119.1985	14.167	76	119.3943	23.210	598	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	2:1:1:	3:	3:3:	N-2:O-1:O-1:	N-3:	C[5]-3:N-3:	N(NC[5])(O)2	O(NNO)	N(C[5]N[5,6]N[5])(NOO)	N(NC[5])(O)2	O(NNO)	N(C[5]N[5,6]N[5])(NOO)	119.1845	4.034	2	119.1845	16.274	2	119.1985	14.167	76	119.3943	23.210	598	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	2:1:1:	3:	3:3:	N-2:O-1:O-1:	N-3:	C[5]-3:N-3:	N(NC[5])(O)2	O(NNO)	N(C[5]N[5,6a]N[5])(NOO)	N(NC[5])(O)2	O(NNO)	N(C[5]N[5,6a]N[5])(NOO)	118.9912	3.645	4	118.9912	13.286	4	119.1985	14.167	76	119.3943	23.210	598	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	2:1:1:	3:	3:3:	N-2:O-1:O-1:	N-3:	C[5]-3:N-3:	N(NC[5])(O)2	O(NNO)	N(C[5]N[5]2)(NOO)	N(NC[5])(O)2	O(NNO)	N(C[5]N[5]2)(NOO)	119.1702	3.853	60	119.1702	14.845	60	119.1985	14.167	76	119.3943	23.210	598	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	2:1:1:	3:	3:3:	N-2:O-1:O-1:	N-3:	C[5]-3:N-3:	N(NC[5])(O)2	O(NNO)	N(C[5]N[5]S[5])(NOO)	N(NC[5])(O)2	O(NNO)	N(C[5]N[5]S[5])(NOO)	118.7407	3.495	6	118.7407	12.213	6	119.1985	14.167	76	119.3943	23.210	598	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	2:1:1:	3:	3:3:	N-2:O-1:O-1:	N-3:	C[5a]-3:N-3:	N(NC[5a])(O)2	O(NNO)	N(C[5a]C[5a]N[5a])(NOO)	N(NC[5a])(O)2	O(NNO)	N(C[5a]C[5a]N[5a])(NOO)	119.7656	4.552	60	119.7656	20.718	60	119.8173	17.797	238	119.3943	23.210	598	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	2:1:1:	3:	3:3:	N-2:O-1:O-1:	N-3:	C[5a]-3:N-3:	N(NC[5a])(O)2	O(NNO)	N(C[5a]N[5,5a]N[5a])(NOO)	N(NC[5a])(O)2	O(NNO)	N(C[5a]N[5,5a]N[5a])(NOO)	118.9875	3.140	2	118.9875	9.861	2	119.8173	17.797	238	119.3943	23.210	598	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	2:1:1:	3:	3:3:	N-2:O-1:O-1:	N-3:	C[5a]-3:N-3:	N(NC[5a])(O)2	O(NNO)	N(C[5a]N[5a,6]N[5a])(NOO)	N(NC[5a])(O)2	O(NNO)	N(C[5a]N[5a,6]N[5a])(NOO)	119.1970	3.374	4	119.1970	11.386	4	119.8173	17.797	238	119.3943	23.210	598	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	2:1:1:	3:	3:3:	N-2:O-1:O-1:	N-3:	C[5a]-3:N-3:	N(NC[5a])(O)2	O(NNO)	N(C[5a]N[5a,6a]N[5a])(NOO)	N(NC[5a])(O)2	O(NNO)	N(C[5a]N[5a,6a]N[5a])(NOO)	119.6717	4.686	12	119.6717	21.961	12	119.8173	17.797	238	119.3943	23.210	598	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	2:1:1:	3:	3:3:	N-2:O-1:O-1:	N-3:	C[5a]-3:N-3:	N(NC[5a])(O)2	O(NNO)	N(C[5a]N[5a]2)(NOO)	N(NC[5a])(O)2	O(NNO)	N(C[5a]N[5a]2)(NOO)	119.9159	4.108	150	119.9159	16.872	150	119.8173	17.797	238	119.3943	23.210	598	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	2:1:1:	3:	3:3:	N-2:O-1:O-1:	N-3:	C[5a]-3:N-3:	N(NC[5a])(O)2	O(NNO)	N(C[5a]N[5a]O[5a])(NOO)	N(NC[5a])(O)2	O(NNO)	N(C[5a]N[5a]O[5a])(NOO)	119.2368	4.569	10	119.2368	20.877	10	119.8173	17.797	238	119.3943	23.210	598	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	2:1:1:	3:	3:3:	N-2:O-1:O-1:	N-3:	C[6]-3:N-3:	N(NC[6])(O)2	O(NNO)	N(C[6]C[5a,6]N[6])(NOO)	N(NC[6])(O)2	O(NNO)	N(C[6]C[5a,6]N[6])(NOO)	118.8140	3.651	4	118.8140	13.330	4	119.3699	10.672	36	119.3943	23.210	598	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	2:1:1:	3:	3:3:	N-2:O-1:O-1:	N-3:	C[6]-3:N-3:	N(NC[6])(O)2	O(NNO)	N(C[6]C[6,6]C[6])(NOO)	N(NC[6])(O)2	O(NNO)	N(C[6]C[6,6]C[6])(NOO)	117.5710	1.673	2	117.5710	2.799	2	119.3699	10.672	36	119.3943	23.210	598	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	2:1:1:	3:	3:3:	N-2:O-1:O-1:	N-3:	C[6]-3:N-3:	N(NC[6])(O)2	O(NNO)	N(C[6]C[6,6a]C[6])(NOO)	N(NC[6])(O)2	O(NNO)	N(C[6]C[6,6a]C[6])(NOO)	117.3810	0.071	2	117.3810	0.005	2	119.3699	10.672	36	119.3943	23.210	598	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	2:1:1:	3:	3:3:	N-2:O-1:O-1:	N-3:	C[6]-3:N-3:	N(NC[6])(O)2	O(NNO)	N(C[6]C[6]2)(NOO)	N(NC[6])(O)2	O(NNO)	N(C[6]C[6]2)(NOO)	119.9900	5.698	2	119.9900	32.466	2	119.3699	10.672	36	119.3943	23.210	598	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	2:1:1:	3:	3:3:	N-2:O-1:O-1:	N-3:	C[6]-3:N-3:	N(NC[6])(O)2	O(NNO)	N(C[6]C[6]N[6])(NOO)	N(NC[6])(O)2	O(NNO)	N(C[6]C[6]N[6])(NOO)	119.5880	4.951	4	119.5880	24.515	4	119.3699	10.672	36	119.3943	23.210	598	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	2:1:1:	3:	3:3:	N-2:O-1:O-1:	N-3:	C[6]-3:N-3:	N(NC[6])(O)2	O(NNO)	N(C[6]N[6]2)(NOO)	N(NC[6])(O)2	O(NNO)	N(C[6]N[6]2)(NOO)	119.7193	3.128	22	119.7193	9.784	22	119.3699	10.672	36	119.3943	23.210	598	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	2:1:1:	3:	3:3:	N-2:O-1:O-1:	N-3:	C[6a]-3:N-3:	N(NC[6a])(O)2	O(NNO)	N(C[6a]N[6a]2)(NOO)	N(NC[6a])(O)2	O(NNO)	N(C[6a]N[6a]2)(NOO)	119.9852	4.972	10	119.9852	24.722	10	119.9852	24.722	10	119.3943	23.210	598	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	2:1:1:	3:	3:3:	N-2:O-1:O-1:	N-3:	N-3:N-3:	N(NN)(O)2	O(NNO)	N(NC[6a]O)(NOO)	N(NN)(O)2	O(NNO)	N(NC[6a]O)(NOO)	115.6827	0.529	6	115.6827	0.279	6	118.5430	47.511	112	119.3943	23.210	598	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	2:1:1:	3:	3:3:	N-2:O-1:O-1:	N-3:	N-3:N-3:	N(NN)(O)2	O(NNO)	N(NOO)2	N(NN)(O)2	O(NNO)	N(NOO)2	118.7049	7.051	106	118.7049	49.719	106	118.5430	47.511	112	119.3943	23.210	598	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	2:1:1:	3:	3:3:	N-2:O-1:O-1:	N-3:	N[5]-3:N-3:	N(NN[5])(O)2	O(NNO)	N(N[5]C[5,5a]C[5])(NOO)	N(NN[5])(O)2	O(NNO)	N(N[5]C[5,5a]C[5])(NOO)	119.2135	6.606	2	119.2135	43.646	2	119.5731	20.678	40	119.3943	23.210	598	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	2:1:1:	3:	3:3:	N-2:O-1:O-1:	N-3:	N[5]-3:N-3:	N(NN[5])(O)2	O(NNO)	N(N[5]C[5]2)(NOO)	N(NN[5])(O)2	O(NNO)	N(N[5]C[5]2)(NOO)	119.2094	4.594	8	119.2094	21.102	8	119.5731	20.678	40	119.3943	23.210	598	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	2:1:1:	3:	3:3:	N-2:O-1:O-1:	N-3:	N[5]-3:N-3:	N(NN[5])(O)2	O(NNO)	N(N[5]C[5]N[5])(NOO)	N(NN[5])(O)2	O(NNO)	N(N[5]C[5]N[5])(NOO)	119.6375	5.113	20	119.6375	26.145	20	119.5731	20.678	40	119.3943	23.210	598	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	2:1:1:	3:	3:3:	N-2:O-1:O-1:	N-3:	N[5]-3:N-3:	N(NN[5])(O)2	O(NNO)	N(N[5]N[5]2)(NOO)	N(NN[5])(O)2	O(NNO)	N(N[5]N[5]2)(NOO)	119.8073	3.596	10	119.8073	12.931	10	119.5731	20.678	40	119.3943	23.210	598	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	2:1:1:	3:	3:3:	N-2:O-1:O-1:	N-3:	N[5a]-3:N-3:	N(NN[5a])(O)2	O(NNO)	N(N[5a]C[5a]2)(NOO)	N(NN[5a])(O)2	O(NNO)	N(N[5a]C[5a]2)(NOO)	119.2835	5.101	4	119.2835	26.017	4	119.2586	18.368	20	119.3943	23.210	598	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	2:1:1:	3:	3:3:	N-2:O-1:O-1:	N-3:	N[5a]-3:N-3:	N(NN[5a])(O)2	O(NNO)	N(N[5a]C[5a]N[5a])(NOO)	N(NN[5a])(O)2	O(NNO)	N(N[5a]C[5a]N[5a])(NOO)	118.8545	4.908	10	118.8545	24.086	10	119.2586	18.368	20	119.3943	23.210	598	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	2:1:1:	3:	3:3:	N-2:O-1:O-1:	N-3:	N[5a]-3:N-3:	N(NN[5a])(O)2	O(NNO)	N(N[5a]N[5a]2)(NOO)	N(NN[5a])(O)2	O(NNO)	N(N[5a]N[5a]2)(NOO)	119.9155	3.160	6	119.9155	9.989	6	119.2586	18.368	20	119.3943	23.210	598	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	2:1:1:	3:	4:3:	N-2:O-1:O-1:	N-3:	C-4:N-3:	N(NC)(O)2	O(NNO)	N(CCHH)(NOO)	N(NC)(O)2	O(NNO)	N(CCHH)(NOO)	120.8131	3.542	8	120.8131	12.546	8	120.8131	12.546	8	120.8131	12.546	8	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	2:2:1:	3:	3:2:	N-2:N-2:O-1:	N-3:	N-3:O-2:	N(NC)(NO)(O)	O(NNN)	N(NNO)(OC)	N(NC)(NO)(O)	O(NNN)	N(NNO)(OC)	126.2943	0.985	3	126.2943	0.970	3	126.2943	0.970	3	126.2943	0.970	3	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	2:2:1:	3:	3:3:	N-2:N-2:O-1:	N-3:	C-3:N-3:	N(NC)(NO)(O)	O(NNN)	N(CC[6]O)(NNO)	N(NC)(NO)(O)	O(NNN)	N(CC[6]O)(NNO)	118.5990	0.000	1	118.5990	0.000	1	120.6797	3.913	3	120.6797	3.913	3	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	2:2:1:	3:	3:3:	N-2:N-2:O-1:	N-3:	C-3:N-3:	N(NC)(NO)(O)	O(NNN)	N(CC[6a]N)(NNO)	N(NC)(NO)(O)	O(NNN)	N(CC[6a]N)(NNO)	121.7200	1.154	2	121.7200	1.332	2	120.6797	3.913	3	120.6797	3.913	3	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	3:2:1:	3:	3:1:	C-3:N-2:O-1:	N-3:	N-3:O-1:	N(CCC)(NO)(O)	O(NCN)	N(NCO)(O)	N(CCC)(NO)(O)	O(NCN)	N(NCO)(O)	122.5070	0.000	1	122.5070	0.000	1	122.5070	0.000	1	122.5070	0.000	1	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	3:2:1:	3:	3:2:	C[6a]-3:N-2:O-1:	N-3:	N-3:O-2:	N(C[6a]C[6a]2)(NO)(O)	O(NC[6a]N)	N(NC[6a]O)(OC)	N(C[6a]C[6a]2)(NO)(O)	O(NC[6a]N)	N(NC[6a]O)(OC)	126.3765	0.230	2	126.3765	0.053	2	126.3765	0.053	2	126.5504	0.562	7	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	3:2:1:	3:	3:2:	N-3:N-2:O-1:	N-3:	N-3:O-2:	N(NCC)(NO)(O)	O(NNN)	N(NNO)(OC)	N(NCC)(NO)(O)	O(NNN)	N(NNO)(OC)	127.0040	0.000	1	127.0040	0.000	1	126.3743	0.676	4	126.5504	0.562	7	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	3:2:1:	3:	3:2:	N-3:N-2:O-1:	N-3:	N-3:O-2:	N(NCH)(NO)(O)	O(NNN)	N(NNO)(OC)	N(NCH)(NO)(O)	O(NNN)	N(NNO)(OC)	125.7195	0.559	2	125.7195	0.313	2	126.3743	0.676	4	126.5504	0.562	7	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	3:2:1:	3:	3:2:	N-3:N-2:O-1:	N-3:	N-3:O-2:	N(NC[6]H)(NO)(O)	O(NNN)	N(NNO)(OC)	N(NC[6]H)(NO)(O)	O(NNN)	N(NNO)(OC)	127.0540	0.000	1	127.0540	0.000	1	126.3743	0.676	4	126.5504	0.562	7	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	3:2:1:	3:	3:2:	N[6]-3:N-2:O-1:	N-3:	N-3:O-2:	N(N[6]C[6]2)(NO)(O)	O(NN[6]N)	N(NN[6]O)(OC)	N(N[6]C[6]2)(NO)(O)	O(NN[6]N)	N(NN[6]O)(OC)	127.6030	0.000	1	127.6030	0.000	1	127.6030	0.000	1	126.5504	0.562	7	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	3:2:1:	3:	3:3:	C[5]-3:N-2:O-1:	N-3:	C[5]-3:N-3:	N(C[5]N[5]2)(NC[5])(O)	O(NC[5]N)	N(C[5]N[5]2)(NC[5]O)	N(C[5]N[5]2)(NC[5])(O)	O(NC[5]N)	N(C[5]N[5]2)(NC[5]O)	128.7695	0.308	2	128.7695	0.095	2	128.7695	0.095	2	126.9990	3.929	36	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	3:2:1:	3:	3:3:	C[5]-3:N-2:O-1:	N-3:	C[5a]-3:N-3:	N(C[5]N[5]2)(NC[5a])(O)	O(NC[5]N)	N(C[5a]N[5a]2)(NC[5]O)	N(C[5]N[5]2)(NC[5a])(O)	O(NC[5]N)	N(C[5a]N[5a]2)(NC[5]O)	127.0915	0.118	2	127.0915	0.014	2	127.0915	0.014	2	126.9990	3.929	36	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	3:2:1:	3:	3:3:	C[5a]-3:N-2:O-1:	N-3:	C[5a]-3:N-3:	N(C[5a]C[5a]N[5a])(NC[5a])(O)	O(NC[5a]N)	N(C[5a]C[5a]N[5a])(NC[5a]O)	N(C[5a]C[5a]N[5a])(NC[5a])(O)	O(NC[5a]N)	N(C[5a]C[5a]N[5a])(NC[5a]O)	127.8472	1.614	5	127.8472	2.604	5	128.0617	2.359	6	126.9990	3.929	36	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	3:2:1:	3:	3:3:	C[5a]-3:N-2:O-1:	N-3:	C[5a]-3:N-3:	N(C[5a]N[5a]2)(NC[5a])(O)	O(NC[5a]N)	N(C[5a]N[5a]2)(NC[5a]O)	N(C[5a]N[5a]2)(NC[5a])(O)	O(NC[5a]N)	N(C[5a]N[5a]2)(NC[5a]O)	129.1340	0.000	1	129.1340	0.000	1	128.0617	2.359	6	126.9990	3.929	36	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	N-3:	C[6a]-3:N-3:	N(C[6a]C[6a,6a]C[6a])(NC[6a])(O)	O(NC[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC[6a]O)	N(C[6a]C[6a,6a]C[6a])(NC[6a])(O)	O(NC[6a]N)	N(C[6a]C[6a,6a]C[6a])(NC[6a]O)	128.0020	0.000	1	128.0020	0.000	1	127.5506	1.026	19	126.9990	3.929	36	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	N-3:	C[6a]-3:N-3:	N(C[6a]C[6a]2)(NC[6a])(O)	O(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]O)	N(C[6a]C[6a]2)(NC[6a])(O)	O(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]O)	127.5256	1.036	18	127.5256	1.073	18	127.5506	1.026	19	126.9990	3.929	36	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	N-3:	N-3:N-3:	N(C[6a]C[6a]2)(NN)(O)	O(NC[6a]N)	N(NC[6a]H)(NC[6a]O)	N(C[6a]C[6a]2)(NN)(O)	O(NC[6a]N)	N(NC[6a]H)(NC[6a]O)	122.4240	0.821	4	122.4240	0.674	4	124.0586	4.632	7	126.9990	3.929	36	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	3:2:1:	3:	3:3:	C[6a]-3:N-2:O-1:	N-3:	N-3:N-3:	N(C[6a]C[6a]2)(NN)(O)	O(NC[6a]N)	N(NC[6a]O)(NOO)	N(C[6a]C[6a]2)(NN)(O)	O(NC[6a]N)	N(NC[6a]O)(NOO)	126.2380	0.645	3	126.2380	0.417	3	124.0586	4.632	7	126.9990	3.929	36	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	3:2:1:	3:	3:4:	C[5a]-3:N-2:O-1:	N-3:	N-3:C-4:	N(C[5a]C[5a]N[5a])(NC)(O)	O(NC[5a]N)	N(NC[5a]O)(CC3)	N(C[5a]C[5a]N[5a])(NC)(O)	O(NC[5a]N)	N(NC[5a]O)(CC3)	129.3160	0.000	1	129.3160	0.000	1	128.8263	0.540	3	128.8263	0.540	3	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	3:2:1:	3:	3:4:	C[5a]-3:N-2:O-1:	N-3:	N-3:C-4:	N(C[5a]C[5a]N[5a])(NC)(O)	O(NC[5a]N)	N(NC[5a]O)(CH3)	N(C[5a]C[5a]N[5a])(NC)(O)	O(NC[5a]N)	N(NC[5a]O)(CH3)	128.5815	0.849	2	128.5815	0.721	2	128.8263	0.540	3	128.8263	0.540	3	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	3:2:1:	3:	4:3:	C-3:N-2:O-1:	N-3:	C-4:N-3:	N(CCC)(NC)(O)	O(NCN)	N(CCHH)(NCO)	N(CCC)(NC)(O)	O(NCN)	N(CCHH)(NCO)	126.1740	0.000	1	126.1740	0.000	1	126.1740	0.000	1	126.1740	0.000	1	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	4:2:1:	3:	3:3:	B-4:N-2:O-1:	N-3:	C[6a]-3:N-3:	N(BC[5]HH)(NC[6a])(O)	O(NBN)	N(C[6a]C[6a]2)(NBO)	N(BC[5]HH)(NC[6a])(O)	O(NBN)	N(C[6a]C[6a]2)(NBO)	123.8780	0.000	1	123.8780	0.000	1	123.8780	0.000	1	123.4650	0.341	2	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	4:2:1:	3:	3:3:	C-4:N-2:O-1:	N-3:	N-3:N-3:	N(CH3)(NN)(O)	O(NCN)	N(NC[6a]H)(NCO)	N(CH3)(NN)(O)	O(NCN)	N(NC[6a]H)(NCO)	123.0520	0.000	1	123.0520	0.000	1	123.0520	0.000	1	123.4650	0.341	2	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	4:2:1:	3:	4:3:	C-4:N-2:O-1:	N-3:	C-4:N-3:	N(CC3)(NC)(O)	O(NCN)	N(CCHH)(NCO)	N(CC3)(NC)(O)	O(NCN)	N(CCHH)(NCO)	127.3770	0.000	1	127.3770	0.000	1	127.3770	0.000	1	128.2915	1.673	2	120.0187	25.379	672	120.0187	25.379	672
956	863	941	0:SP2_SP2_SP2	N	O	N	4:2:1:	3:	4:3:	C[6]-4:N-2:O-1:	N-3:	C[6]-4:N-3:	N(C[6]C[6]2O)(NC[6])(O)	O(NC[6]N)	N(C[6]C[6]2O)(NC[6]O)	N(C[6]C[6]2O)(NC[6])(O)	O(NC[6]N)	N(C[6]C[6]2O)(NC[6]O)	129.2060	0.000	1	129.2060	0.000	1	129.2060	0.000	1	128.2915	1.673	2	120.0187	25.379	672	120.0187	25.379	672
956	863	951	0:SP2_SP-NON_SP2	N	O	H	3:1:1:	3:	3:	C-3:H-1:O-1:	N-3:	N-3:	N(CC[6]C)(H)(O)	O(NCH)	H(NCO)	N(CC[6]C)(H)(O)	O(NCH)	H(NCO)	118.8260	0.000	1	118.8260	0.000	1	118.8260	0.000	1	118.8260	0.000	1	118.8260	0.000	1	118.8260	0.000	1
956	863	956	0:SP2_SP2_SP2	N	O	N	3:1:1:	3:	3:3:1:	N-3:O-1:O-1:	N-3:	C-3:N-3:H-1:	N(NCH)(O)2	O(NNO)	N(CC[5a]O)(NOO)(H)	N(NCH)(O)2	O(NNO)	N(CC[5a]O)(NOO)(H)	116.9610	2.560	2	116.9610	6.552	2	116.9594	6.292	46	117.0285	5.599	86	117.4509	3.642	190	117.4509	3.642	190
956	863	956	0:SP2_SP2_SP2	N	O	N	3:1:1:	3:	3:3:1:	N-3:O-1:O-1:	N-3:	C-3:N-3:H-1:	N(NCH)(O)2	O(NNO)	N(CNN)(NOO)(H)	N(NCH)(O)2	O(NNO)	N(CNN)(NOO)(H)	116.8420	2.879	4	116.8420	8.290	4	116.9594	6.292	46	117.0285	5.599	86	117.4509	3.642	190	117.4509	3.642	190
956	863	956	0:SP2_SP2_SP2	N	O	N	3:1:1:	3:	3:3:1:	N-3:O-1:O-1:	N-3:	C-3:N-3:H-1:	N(NCH)(O)2	O(NNO)	N(CNO)(NOO)(H)	N(NCH)(O)2	O(NNO)	N(CNO)(NOO)(H)	117.1572	2.437	12	117.1572	5.941	12	116.9594	6.292	46	117.0285	5.599	86	117.4509	3.642	190	117.4509	3.642	190
956	863	956	0:SP2_SP2_SP2	N	O	N	3:1:1:	3:	3:3:1:	N-3:O-1:O-1:	N-3:	C-3:N-3:H-1:	N(NCH)(O)2	O(NNO)	N(COO)(NOO)(H)	N(NCH)(O)2	O(NNO)	N(COO)(NOO)(H)	116.8914	2.623	28	116.8914	6.879	28	116.9594	6.292	46	117.0285	5.599	86	117.4509	3.642	190	117.4509	3.642	190
956	863	956	0:SP2_SP2_SP2	N	O	N	3:1:1:	3:	3:3:1:	N-3:O-1:O-1:	N-3:	C[5a]-3:N-3:H-1:	N(NC[5a]H)(O)2	O(NNO)	N(C[5a]C[5a]N[5a])(NOO)(H)	N(NC[5a]H)(O)2	O(NNO)	N(C[5a]C[5a]N[5a])(NOO)(H)	116.6535	1.887	16	116.6535	3.560	16	116.9421	5.232	22	117.0285	5.599	86	117.4509	3.642	190	117.4509	3.642	190
956	863	956	0:SP2_SP2_SP2	N	O	N	3:1:1:	3:	3:3:1:	N-3:O-1:O-1:	N-3:	C[5a]-3:N-3:H-1:	N(NC[5a]H)(O)2	O(NNO)	N(C[5a]N[5a]2)(NOO)(H)	N(NC[5a]H)(O)2	O(NNO)	N(C[5a]N[5a]2)(NOO)(H)	117.7118	3.212	6	117.7118	10.320	6	116.9421	5.232	22	117.0285	5.599	86	117.4509	3.642	190	117.4509	3.642	190
956	863	956	0:SP2_SP2_SP2	N	O	N	3:1:1:	3:	3:3:1:	N-3:O-1:O-1:	N-3:	C[6]-3:N-3:H-1:	N(NC[6]H)(O)2	O(NNO)	N(C[6]C[5a,6]N[6])(NOO)(H)	N(NC[6]H)(O)2	O(NNO)	N(C[6]C[5a,6]N[6])(NOO)(H)	117.1090	2.264	2	117.1090	5.126	2	117.2834	3.934	8	117.0285	5.599	86	117.4509	3.642	190	117.4509	3.642	190
956	863	956	0:SP2_SP2_SP2	N	O	N	3:1:1:	3:	3:3:1:	N-3:O-1:O-1:	N-3:	C[6]-3:N-3:H-1:	N(NC[6]H)(O)2	O(NNO)	N(C[6]C[6]2)(NOO)(H)	N(NC[6]H)(O)2	O(NNO)	N(C[6]C[6]2)(NOO)(H)	117.3415	2.113	6	117.3415	4.467	6	117.2834	3.934	8	117.0285	5.599	86	117.4509	3.642	190	117.4509	3.642	190
956	863	956	0:SP2_SP2_SP2	N	O	N	3:1:1:	3:	3:3:1:	N-3:O-1:O-1:	N-3:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(O)2	O(NNO)	N(C[6a]C[6a]2)(NOO)(H)	N(NC[6a]H)(O)2	O(NNO)	N(C[6a]C[6a]2)(NOO)(H)	117.5342	2.379	6	117.5342	5.658	6	117.3325	5.947	10	117.0285	5.599	86	117.4509	3.642	190	117.4509	3.642	190
956	863	956	0:SP2_SP2_SP2	N	O	N	3:1:1:	3:	3:3:1:	N-3:O-1:O-1:	N-3:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(O)2	O(NNO)	N(C[6a]N[6a]2)(NOO)(H)	N(NC[6a]H)(O)2	O(NNO)	N(C[6a]N[6a]2)(NOO)(H)	117.0300	2.865	4	117.0300	8.207	4	117.3325	5.947	10	117.0285	5.599	86	117.4509	3.642	190	117.4509	3.642	190
956	863	956	0:SP2_SP2_SP2	N	O	N	3:1:1:	3:	3:4:3:	N-3:O-1:O-1:	N-3:	C[5a]-3:C-4:N-3:	N(NC[5a]C)(O)2	O(NNO)	N(C[5a]C[5a]N[5a])(CCHH)(NOO)	N(NC[5a]C)(O)2	O(NNO)	N(C[5a]C[5a]N[5a])(CCHH)(NOO)	116.3005	0.199	2	116.3005	0.039	2	116.7681	0.585	16	117.1543	0.848	40	117.4509	3.642	190	117.4509	3.642	190
956	863	956	0:SP2_SP2_SP2	N	O	N	3:1:1:	3:	3:4:3:	N-3:O-1:O-1:	N-3:	C[5a]-3:C-4:N-3:	N(NC[5a]C)(O)2	O(NNO)	N(C[5a]C[5a]N[5a])(CHHN)(NOO)	N(NC[5a]C)(O)2	O(NNO)	N(C[5a]C[5a]N[5a])(CHHN)(NOO)	116.4326	0.687	8	116.4326	0.472	8	116.7681	0.585	16	117.1543	0.848	40	117.4509	3.642	190	117.4509	3.642	190
956	863	956	0:SP2_SP2_SP2	N	O	N	3:1:1:	3:	3:4:3:	N-3:O-1:O-1:	N-3:	C[5a]-3:C-4:N-3:	N(NC[5a]C)(O)2	O(NNO)	N(C[5a]N[5a]2)(CCCH)(NOO)	N(NC[5a]C)(O)2	O(NNO)	N(C[5a]N[5a]2)(CCCH)(NOO)	117.0000	0.986	2	117.0000	0.972	2	116.7681	0.585	16	117.1543	0.848	40	117.4509	3.642	190	117.4509	3.642	190
956	863	956	0:SP2_SP2_SP2	N	O	N	3:1:1:	3:	3:4:3:	N-3:O-1:O-1:	N-3:	C[5a]-3:C-4:N-3:	N(NC[5a]C)(O)2	O(NNO)	N(C[5a]N[5a]S[5a])(CH3)(NOO)	N(NC[5a]C)(O)2	O(NNO)	N(C[5a]N[5a]S[5a])(CH3)(NOO)	117.5570	0.418	4	117.5570	0.175	4	116.7681	0.585	16	117.1543	0.848	40	117.4509	3.642	190	117.4509	3.642	190
956	863	956	0:SP2_SP2_SP2	N	O	N	3:1:1:	3:	3:4:3:	N-3:O-1:O-1:	N-3:	C[6]-3:C-4:N-3:	N(NC[6]C)(O)2	O(NNO)	N(C[6]C[6]2)(CH3)(NOO)	N(NC[6]C)(O)2	O(NNO)	N(C[6]C[6]2)(CH3)(NOO)	117.4813	0.603	6	117.4813	0.364	6	117.3838	0.777	8	117.1543	0.848	40	117.4509	3.642	190	117.4509	3.642	190
956	863	956	0:SP2_SP2_SP2	N	O	N	3:1:1:	3:	3:4:3:	N-3:O-1:O-1:	N-3:	C[6]-3:C-4:N-3:	N(NC[6]C)(O)2	O(NNO)	N(C[6]C[6]N[6])(CH3)(NOO)	N(NC[6]C)(O)2	O(NNO)	N(C[6]C[6]N[6])(CH3)(NOO)	117.0910	1.843	2	117.0910	3.396	2	117.3838	0.777	8	117.1543	0.848	40	117.4509	3.642	190	117.4509	3.642	190
956	863	956	0:SP2_SP2_SP2	N	O	N	3:1:1:	3:	3:4:3:	N-3:O-1:O-1:	N-3:	C[6a]-3:C-4:N-3:	N(NC[6a]C)(O)2	O(NNO)	N(C[6a]C[6a]2)(CH3)(NOO)	N(NC[6a]C)(O)2	O(NNO)	N(C[6a]C[6a]2)(CH3)(NOO)	117.6947	0.766	10	117.6947	0.587	10	117.4257	0.992	16	117.1543	0.848	40	117.4509	3.642	190	117.4509	3.642	190
956	863	956	0:SP2_SP2_SP2	N	O	N	3:1:1:	3:	3:4:3:	N-3:O-1:O-1:	N-3:	C[6a]-3:C-4:N-3:	N(NC[6a]C)(O)2	O(NNO)	N(C[6a]C[6a]N[6a])(CCHH)(NOO)	N(NC[6a]C)(O)2	O(NNO)	N(C[6a]C[6a]N[6a])(CCHH)(NOO)	116.5750	0.429	2	116.5750	0.184	2	117.4257	0.992	16	117.1543	0.848	40	117.4509	3.642	190	117.4509	3.642	190
956	863	956	0:SP2_SP2_SP2	N	O	N	3:1:1:	3:	3:4:3:	N-3:O-1:O-1:	N-3:	C[6a]-3:C-4:N-3:	N(NC[6a]C)(O)2	O(NNO)	N(C[6a]C[6a]N[6a])(CH3)(NOO)	N(NC[6a]C)(O)2	O(NNO)	N(C[6a]C[6a]N[6a])(CH3)(NOO)	117.1785	1.527	4	117.1785	2.333	4	117.4257	0.992	16	117.1543	0.848	40	117.4509	3.642	190	117.4509	3.642	190
956	863	956	0:SP2_SP2_SP2	N	O	N	3:1:1:	3:	4:3:1:	N-3:O-1:O-1:	N-3:	C-4:N-3:H-1:	N(NCH)(O)2	O(NNO)	N(CCHH)(NOO)(H)	N(NCH)(O)2	O(NNO)	N(CCHH)(NOO)(H)	118.0415	0.655	2	118.0415	0.430	2	118.2353	2.004	4	118.2353	2.004	4	117.4509	3.642	190	117.4509	3.642	190
956	863	956	0:SP2_SP2_SP2	N	O	N	3:1:1:	3:	4:3:1:	N-3:O-1:O-1:	N-3:	C-4:N-3:H-1:	N(NCH)(O)2	O(NNO)	N(CC[6]HH)(NOO)(H)	N(NCH)(O)2	O(NNO)	N(CC[6]HH)(NOO)(H)	118.4290	2.331	2	118.4290	5.432	2	118.2353	2.004	4	118.2353	2.004	4	117.4509	3.642	190	117.4509	3.642	190
956	863	956	0:SP2_SP2_SP2	N	O	N	3:1:1:	3:	4:4:3:	N-3:O-1:O-1:	N-3:	C-4:C-4:N-3:	N(NCC)(O)2	O(NNO)	N(CC[5]HH)2(NOO)	N(NCC)(O)2	O(NNO)	N(CC[5]HH)2(NOO)	118.0825	0.218	2	118.0825	0.048	2	117.5530	0.291	42	117.5886	0.308	44	117.4509	3.642	190	117.4509	3.642	190
956	863	956	0:SP2_SP2_SP2	N	O	N	3:1:1:	3:	4:4:3:	N-3:O-1:O-1:	N-3:	C-4:C-4:N-3:	N(NCC)(O)2	O(NNO)	N(CC[5a]CH)(CC[6a]HH)(NOO)	N(NCC)(O)2	O(NNO)	N(CC[5a]CH)(CC[6a]HH)(NOO)	117.5445	0.076	2	117.5445	0.006	2	117.5530	0.291	42	117.5886	0.308	44	117.4509	3.642	190	117.4509	3.642	190
956	863	956	0:SP2_SP2_SP2	N	O	N	3:1:1:	3:	4:4:3:	N-3:O-1:O-1:	N-3:	C-4:C-4:N-3:	N(NCC)(O)2	O(NNO)	N(CC[5a]HH)2(NOO)	N(NCC)(O)2	O(NNO)	N(CC[5a]HH)2(NOO)	117.5410	0.967	2	117.5410	0.936	2	117.5530	0.291	42	117.5886	0.308	44	117.4509	3.642	190	117.4509	3.642	190
956	863	956	0:SP2_SP2_SP2	N	O	N	3:1:1:	3:	4:4:3:	N-3:O-1:O-1:	N-3:	C-4:C-4:N-3:	N(NCC)(O)2	O(NNO)	N(CHHN)(CH3)(NOO)	N(NCC)(O)2	O(NNO)	N(CHHN)(CH3)(NOO)	118.1208	0.710	4	118.1208	0.504	4	117.5530	0.291	42	117.5886	0.308	44	117.4509	3.642	190	117.4509	3.642	190
956	863	956	0:SP2_SP2_SP2	N	O	N	3:1:1:	3:	4:4:3:	N-3:O-1:O-1:	N-3:	C-4:C-4:N-3:	N(NCC)(O)2	O(NNO)	N(CHHN)2(NOO)	N(NCC)(O)2	O(NNO)	N(CHHN)2(NOO)	117.3587	0.378	16	117.3587	0.143	16	117.5530	0.291	42	117.5886	0.308	44	117.4509	3.642	190	117.4509	3.642	190
956	863	956	0:SP2_SP2_SP2	N	O	N	3:1:1:	3:	4:4:3:	N-3:O-1:O-1:	N-3:	C-4:C-4:N-3:	N(NCC)(O)2	O(NNO)	N(CN[5a]HH)(CH3)(NOO)	N(NCC)(O)2	O(NNO)	N(CN[5a]HH)(CH3)(NOO)	117.5419	0.567	16	117.5419	0.322	16	117.5530	0.291	42	117.5886	0.308	44	117.4509	3.642	190	117.4509	3.642	190
956	863	956	0:SP2_SP2_SP2	N	O	N	3:1:1:	3:	4:4:3:	N-3:O-1:O-1:	N-3:	C[6]-4:C[6]-4:N-3:	N(NC[6]2)(O)2	O(NNO)	N(C[6]C[6]2H)2(NOO)	N(NC[6]2)(O)2	O(NNO)	N(C[6]C[6]2H)2(NOO)	118.3350	0.358	2	118.3350	0.128	2	118.3350	0.128	2	117.5886	0.308	44	117.4509	3.642	190	117.4509	3.642	190
956	863	956	0:SP2_SP2_SP2	N	O	N	3:2:1:	3:	4:3:1:	N-3:N-2:O-1:	N-3:	C-4:N-3:H-1:	N(NCH)(NO)(O)	O(NNN)	N(CH3)(NNO)(H)	N(NCH)(NO)(O)	O(NNN)	N(CH3)(NNO)(H)	118.0860	0.000	1	118.0860	0.000	1	118.0860	0.000	1	118.0860	0.000	1	117.4509	3.642	190	117.4509	3.642	190
956	863	956	0:SP2_SP2_SP2	N	O	N	3:2:1:	3:	4:3:3:	N-3:O-2:O-1:	N-3:	C-4:C-3:N-3:	N(NCC)(OH)(O)	O(NNO)	N(CH3)(CNN)(NOO)	N(NCC)(OH)(O)	O(NNO)	N(CH3)(CNN)(NOO)	115.8720	0.000	1	115.8720	0.000	1	115.8720	0.000	1	115.8720	0.000	1	117.4509	3.642	190	117.4509	3.642	190
956	863	956	0:SP2_SP2_SP2	N	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]2)(NC[6a]O)(O)	O(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]O)(O)	N(C[6a]C[6a]2)(NC[6a]O)(O)	O(NC[6a]N)	N(C[6a]C[6a]2)(NC[6a]O)(O)	120.4530	1.269	10	120.4530	1.611	10	120.1857	1.817	12	120.1857	1.817	12	117.4509	3.642	190	117.4509	3.642	190
956	863	956	0:SP2_SP2_SP2	N	O	N	3:3:1:	3:	3:3:1:	C[6a]-3:N-3:O-1:	N-3:	C[6a]-3:N-3:O-1:	N(C[6a]C[6a]N[6a])(NC[6a]O)(O)	O(NC[6a]N)	N(C[6a]C[6a]N[6a])(NC[6a]O)(O)	N(C[6a]C[6a]N[6a])(NC[6a]O)(O)	O(NC[6a]N)	N(C[6a]C[6a]N[6a])(NC[6a]O)(O)	118.8490	1.097	2	118.8490	1.204	2	120.1857	1.817	12	120.1857	1.817	12	117.4509	3.642	190	117.4509	3.642	190
956	863	956	0:SP2_SP2_SP2	N	O	N	4:3:1:	3:	4:3:1:	C[5,6]-4:N-3:O-1:	N-3:	C[5,6]-4:N-3:O-1:	N(C[5,6]C[5,5,6]C[5,6]H)(NC[5,6]O)(O)	O(NC[5,6]N)	N(C[5,6]C[5,5,6]C[5,6]H)(NC[5,6]O)(O)	N(C[5,6]C[5,5,6]C[5,6]H)(NC[5,6]O)(O)	O(NC[5,6]N)	N(C[5,6]C[5,5,6]C[5,6]H)(NC[5,6]O)(O)	120.9220	0.000	1	120.9220	0.000	1	120.9220	0.000	1	121.0090	0.015	2	117.4509	3.642	190	117.4509	3.642	190
956	863	956	0:SP2_SP2_SP2	N	O	N	4:3:1:	3:	4:3:1:	C[6]-4:N-3:O-1:	N-3:	C[6]-4:N-3:O-1:	N(C[6]C[6]2C)(NC[6]O)(O)	O(NC[6]N)	N(C[6]C[6]2C)(NC[6]O)(O)	N(C[6]C[6]2C)(NC[6]O)(O)	O(NC[6]N)	N(C[6]C[6]2C)(NC[6]O)(O)	121.0960	0.000	1	121.0960	0.000	1	121.0960	0.000	1	121.0090	0.015	2	117.4509	3.642	190	117.4509	3.642	190
956	863	956	0:SP2_SP2_SP3	N	O	N	3:1:1:	3:	3:3:1:	N-3:O-1:O-1:	N-3:	C-3:N-3:H-1:	N(NCH)(O)2	O(NNO)	N(CNO)(NOO)(H)	N(NCH)(O)2	O(NNO)	N(CNO)(NOO)(H)	117.2765	2.034	4	117.2765	4.137	4	117.2765	4.137	4	116.8366	2.533	14	117.2697	1.377	63	117.2697	1.377	63
956	863	956	0:SP2_SP2_SP3	N	O	N	3:1:1:	3:	3:3:1:	N-3:O-1:O-1:	N-3:	C[5]-3:N-3:H-1:	N(NC[5]H)(O)2	O(NNO)	N(C[5]C[5]N[5])(NOO)(H)	N(NC[5]H)(O)2	O(NNO)	N(C[5]C[5]N[5])(NOO)(H)	116.2990	1.461	4	116.2990	2.135	4	116.2990	2.135	4	116.8366	2.533	14	117.2697	1.377	63	117.2697	1.377	63
956	863	956	0:SP2_SP2_SP3	N	O	N	3:1:1:	3:	3:3:1:	N-3:O-1:O-1:	N-3:	C[5a]-3:N-3:H-1:	N(NC[5a]H)(O)2	O(NNO)	N(C[5a]C[5a]N[5a])(NOO)(H)	N(NC[5a]H)(O)2	O(NNO)	N(C[5a]C[5a]N[5a])(NOO)(H)	116.5505	1.316	2	116.5505	1.732	2	116.5505	1.732	2	116.8366	2.533	14	117.2697	1.377	63	117.2697	1.377	63
956	863	956	0:SP2_SP2_SP3	N	O	N	3:1:1:	3:	3:3:1:	N-3:O-1:O-1:	N-3:	C[6]-3:N-3:H-1:	N(NC[6]H)(O)2	O(NNO)	N(C[6]C[5a,6]N[6])(NOO)(H)	N(NC[6]H)(O)2	O(NNO)	N(C[6]C[5a,6]N[6])(NOO)(H)	116.8710	1.113	2	116.8710	1.239	2	116.8710	1.239	2	116.8366	2.533	14	117.2697	1.377	63	117.2697	1.377	63
956	863	956	0:SP2_SP2_SP3	N	O	N	3:1:1:	3:	3:3:1:	N-3:O-1:O-1:	N-3:	C[6a]-3:N-3:H-1:	N(NC[6a]H)(O)2	O(NNO)	N(C[6a]C[6a]2)(NOO)(H)	N(NC[6a]H)(O)2	O(NNO)	N(C[6a]C[6a]2)(NOO)(H)	117.2840	2.940	2	117.2840	8.644	2	117.2840	8.644	2	116.8366	2.533	14	117.2697	1.377	63	117.2697	1.377	63
956	863	956	0:SP2_SP2_SP3	N	O	N	3:1:1:	3:	3:4:3:	N-3:O-1:O-1:	N-3:	C[5a]-3:C-4:N-3:	N(NC[5a]C)(O)2	O(NNO)	N(C[5a]C[5a]N[5a])(CCHH)(NOO)	N(NC[5a]C)(O)2	O(NNO)	N(C[5a]C[5a]N[5a])(CCHH)(NOO)	115.8845	0.274	2	115.8845	0.075	2	116.1885	0.458	4	116.3453	0.521	6	117.2697	1.377	63	117.2697	1.377	63
956	863	956	0:SP2_SP2_SP3	N	O	N	3:1:1:	3:	3:4:3:	N-3:O-1:O-1:	N-3:	C[5a]-3:C-4:N-3:	N(NC[5a]C)(O)2	O(NNO)	N(C[5a]N[5a]2)(CH3)(NOO)	N(NC[5a]C)(O)2	O(NNO)	N(C[5a]N[5a]2)(CH3)(NOO)	116.4925	0.964	2	116.4925	0.929	2	116.1885	0.458	4	116.3453	0.521	6	117.2697	1.377	63	117.2697	1.377	63
956	863	956	0:SP2_SP2_SP3	N	O	N	3:1:1:	3:	3:4:3:	N-3:O-1:O-1:	N-3:	C[6]-3:C-4:N-3:	N(NC[6]C)(O)2	O(NNO)	N(C[6]C[6]N[6])(CH3)(NOO)	N(NC[6]C)(O)2	O(NNO)	N(C[6]C[6]N[6])(CH3)(NOO)	116.6590	0.967	2	116.6590	0.936	2	116.6590	0.936	2	116.3453	0.521	6	117.2697	1.377	63	117.2697	1.377	63
956	863	956	0:SP2_SP2_SP3	N	O	N	3:1:1:	3:	4:3:1:	N-3:O-1:O-1:	N-3:	C-4:N-3:H-1:	N(NCH)(O)2	O(NNO)	N(CCCH)(NOO)(H)	N(NCH)(O)2	O(NNO)	N(CCCH)(NOO)(H)	117.5260	1.814	4	117.5260	3.291	4	117.8500	2.073	12	117.8500	2.073	12	117.2697	1.377	63	117.2697	1.377	63
956	863	956	0:SP2_SP2_SP3	N	O	N	3:1:1:	3:	4:3:1:	N-3:O-1:O-1:	N-3:	C-4:N-3:H-1:	N(NCH)(O)2	O(NNO)	N(CCHH)(NOO)(H)	N(NCH)(O)2	O(NNO)	N(CCHH)(NOO)(H)	118.1400	1.452	6	118.1400	2.108	6	117.8500	2.073	12	117.8500	2.073	12	117.2697	1.377	63	117.2697	1.377	63
956	863	956	0:SP2_SP2_SP3	N	O	N	3:1:1:	3:	4:3:1:	N-3:O-1:O-1:	N-3:	C-4:N-3:H-1:	N(NCH)(O)2	O(NNO)	N(CC[6a]HH)(NOO)(H)	N(NCH)(O)2	O(NNO)	N(CC[6a]HH)(NOO)(H)	117.6280	1.170	2	117.6280	1.368	2	117.8500	2.073	12	117.8500	2.073	12	117.2697	1.377	63	117.2697	1.377	63
956	863	956	0:SP2_SP2_SP3	N	O	N	3:1:1:	3:	4:4:3:	N-3:O-1:O-1:	N-3:	C-4:C-4:N-3:	N(NCC)(O)2	O(NNO)	N(CCHH)2(NOO)	N(NCC)(O)2	O(NNO)	N(CCHH)2(NOO)	117.1635	0.310	2	117.1635	0.096	2	117.3501	0.458	28	117.3501	0.458	28	117.2697	1.377	63	117.2697	1.377	63
956	863	956	0:SP2_SP2_SP3	N	O	N	3:1:1:	3:	4:4:3:	N-3:O-1:O-1:	N-3:	C-4:C-4:N-3:	N(NCC)(O)2	O(NNO)	N(CC[5a]HH)(CC[5]HH)(NOO)	N(NCC)(O)2	O(NNO)	N(CC[5a]HH)(CC[5]HH)(NOO)	117.9985	0.535	2	117.9985	0.287	2	117.3501	0.458	28	117.3501	0.458	28	117.2697	1.377	63	117.2697	1.377	63
956	863	956	0:SP2_SP2_SP3	N	O	N	3:1:1:	3:	4:4:3:	N-3:O-1:O-1:	N-3:	C-4:C-4:N-3:	N(NCC)(O)2	O(NNO)	N(CHHN)2(NOO)	N(NCC)(O)2	O(NNO)	N(CHHN)2(NOO)	117.1935	0.798	12	117.1935	0.637	12	117.3501	0.458	28	117.3501	0.458	28	117.2697	1.377	63	117.2697	1.377	63
956	863	956	0:SP2_SP2_SP3	N	O	N	3:1:1:	3:	4:4:3:	N-3:O-1:O-1:	N-3:	C-4:C-4:N-3:	N(NCC)(O)2	O(NNO)	N(CN[5a]HH)(CH3)(NOO)	N(NCC)(O)2	O(NNO)	N(CN[5a]HH)(CH3)(NOO)	117.4297	0.581	12	117.4297	0.337	12	117.3501	0.458	28	117.3501	0.458	28	117.2697	1.377	63	117.2697	1.377	63
956	863	956	0:SP2_SP2_SP3	N	O	N	3:2:1:	3:	4:3:1:	N-3:N-2:O-1:	N-3:	C-4:N-3:H-1:	N(NCH)(NO)(O)	O(NNN)	N(CH3)(NNO)(H)	N(NCH)(NO)(O)	O(NNN)	N(CH3)(NNO)(H)	118.7240	0.000	1	118.7240	0.000	1	118.7240	0.000	1	118.0965	0.788	2	117.2697	1.377	63	117.2697	1.377	63
956	863	956	0:SP2_SP2_SP3	N	O	N	3:2:1:	3:	4:3:1:	N-3:N-2:O-1:	N-3:	C[6]-4:N-3:H-1:	N(NC[6]H)(NO)(O)	O(NNN)	N(C[6]C[6]2H)(NNO)(H)	N(NC[6]H)(NO)(O)	O(NNN)	N(C[6]C[6]2H)(NNO)(H)	117.4690	0.000	1	117.4690	0.000	1	117.4690	0.000	1	118.0965	0.788	2	117.2697	1.377	63	117.2697	1.377	63
956	863	956	0:SP2_SP2_SP3	N	O	N	3:2:1:	3:	4:4:3:	N-3:N-2:O-1:	N-3:	C-4:C-4:N-3:	N(NCC)(NO)(O)	O(NNN)	N(CCHH)(CH3)(NNO)	N(NCC)(NO)(O)	O(NNN)	N(CCHH)(CH3)(NNO)	118.0110	0.000	1	118.0110	0.000	1	118.0110	0.000	1	118.0110	0.000	1	117.2697	1.377	63	117.2697	1.377	63
956	863	983	0:SP2_SP1_SP2	N	O	C	2:1:1:	3:	3:3:	C-2:O-1:O-1:	N-3:	C-3:N-3:	N(CC)(O)2	O(NCO)	C(CC[5]C[6])(NOO)	N(CC)(O)2	O(NCO)	C(CC[5]C[6])(NOO)	113.8257	3.366	4	113.8257	11.332	4	113.8257	11.332	4	113.8257	11.332	4	113.8257	11.332	4	113.8257	11.332	4
956	872	880	0:SP2_SP3_SP3	N	Si[3,4,6]	Si	4:4:4:	4:4:4:3:	3:4:4:4:	Si[3,4,6]-4:Si-4:Si-4:	C[3,4,5]-4:C[3,5,6]-4:Si[4,6]-4:N-3:	N-3:C-4:C-4:C-4:	N(Si[3,4,6]C[3,4,5]C[3,5,6]Si[4,6])(SiC3)2	Si[3,4,6](C[3,4,5]C[3,5,6]C[4,5,6]C)(C[3,5,6]C[3,4,5]C[5,6]C)(Si[4,6]C[4,5,6]ClN)(NSi2)	Si(NSi[3,4,6]Si)(CH3)3	N(Si[3,4,6]C[3,4,5]C[3,5,6]Si[4,6])(SiC3)2	Si[3,4,6](C[3,4,5]C[3,5,6]C[4,5,6]C)(C[3,5,6]C[3,4,5]C[5,6]C)(Si[4,6]C[4,5,6]ClN)(NSi2){1|C<3>,2|C<4>}	Si(NSi[3,4,6]Si)(CH3)3	118.6985	1.648	2	118.6985	2.717	2	118.6985	2.717	2	118.6985	2.717	2	118.6985	2.717	2	122.0102	14.604	6
956	872	880	0:SP2_SP3_SP3	N	Si[3]	Si	4:3:4:	3:3:3:4:	3:4:4:4:	Si[3]-4:C[6a]-3:Si-4:	C[3]-3:C[3]-3:N-3:Si-4:	N-3:C-4:C-4:C-4:	N(Si[3]C[3]2Si)(C[6a]C[6a]2)(SiC3)	Si[3](C[3]C[6a]C[3])(C[3]C[3]H)(NC[6a]Si)(SiSi3)	Si(NC[6a]Si[3])(CH3)3	N(Si[3]C[3]2Si)(C[6a]C[6a]2)(SiC3)	Si[3](C[3]C[6a]C[3])(C[3]C[3]H)(NC[6a]Si)(SiSi3){2|C<3>}	Si(NC[6a]Si[3])(CH3)3	119.6000	0.000	1	119.6000	0.000	1	123.5860	31.776	2	123.5860	31.776	2	123.6660	12.467	4	122.0102	14.604	6
956	872	880	0:SP2_SP3_SP3	N	Si[3]	Si	4:3:4:	3:3:3:4:	3:4:4:4:	Si[3]-4:C[6a]-3:Si-4:	C[3]-3:C[3]-3:N-3:Si-4:	N-3:C-4:C-4:C-4:	N(Si[3]C[3]2Si)(C[6a]C[6a]2)(SiC3)	Si[3](C[3]C[6a]C[3])2(NC[6a]Si)(SiSi3)	Si(NC[6a]Si[3])(CH3)3	N(Si[3]C[3]2Si)(C[6a]C[6a]2)(SiC3)	Si[3](C[3]C[6a]C[3])2(NC[6a]Si)(SiSi3){4|C<3>}	Si(NC[6a]Si[3])(CH3)3	127.5720	0.000	1	127.5720	0.000	1	123.5860	31.776	2	123.5860	31.776	2	123.6660	12.467	4	122.0102	14.604	6
956	872	880	0:SP2_SP3_SP3	N	Si[3]	Si	4:3:4:	4:4:3:4:	3:4:4:4:	Si[3]-4:C[6a]-3:Si-4:	C[3]-4:C[3]-4:N-3:C-4:	N-3:C-4:C-4:C-4:	N(Si[3]C[3]2C)(C[6a]C[6a]2)(SiC3)	Si[3](C[3]C[3]HH)2(NC[6a]Si)(CCHH)	Si(NC[6a]Si[3])(CH3)3	N(Si[3]C[3]2C)(C[6a]C[6a]2)(SiC3)	Si[3](C[3]C[3]HH)2(NC[6a]Si)(CCHH)	Si(NC[6a]Si[3])(CH3)3	125.4190	0.000	1	125.4190	0.000	1	125.4190	0.000	1	123.7460	5.598	2	123.6660	12.467	4	122.0102	14.604	6
956	872	880	0:SP2_SP3_SP3	N	Si[3]	Si	4:3:4:	4:4:3:4:	3:4:4:4:	Si[3]-4:C[6a]-3:Si-4:	C[3]-4:C[3]-4:N-3:Si-4:	N-3:C-4:C-4:C-4:	N(Si[3]C[3]2Si)(C[6a]C[6a]2)(SiC3)	Si[3](C[3]C[3]HH)2(NC[6a]Si)(SiSi3)	Si(NC[6a]Si[3])(CH3)3	N(Si[3]C[3]2Si)(C[6a]C[6a]2)(SiC3)	Si[3](C[3]C[3]HH)2(NC[6a]Si)(SiSi3)	Si(NC[6a]Si[3])(CH3)3	122.0730	0.000	1	122.0730	0.000	1	122.0730	0.000	1	123.7460	5.598	2	123.6660	12.467	4	122.0102	14.604	6
956	876	941	0:SP2_SP-NON_SP2	N	H	N	2:2:1:	3:2:	3:3:	H-2:N-2:H-1:	N-3:H-2:	C-3:N-3:	N(HH)(NC)(H)	H(NHN)(HC)	N(CC[6a]C)(NHH)	N(HH)(NC)(H)	H(NHN)(HC)	N(CC[6a]C)(NHH)	127.1820	0.000	1	127.1820	0.000	1	127.1820	0.000	1	127.1820	0.000	1	127.1820	0.000	1	127.1820	0.000	1
956	876	951	0:SP2_SP-NON_SP-NON	N	H	H	2:2:1:	3:2:	3:	H-2:N-2:H-1:	N-3:H-2:	N-3:	N(HH)(NC)(H)	H(NHN)(HC)	H(NHN)	N(HH)(NC)(H)	H(NHN)(HC)	H(NHN)	110.6210	0.000	1	110.6210	0.000	1	110.6210	0.000	1	110.6210	0.000	1	110.6210	0.000	1	110.6210	0.000	1
956	878	878	0:SP3_SP-NON_SP-NON	N	Ga[4]	Ga[4]	4:4:3:	4:4:3:3:	4:4:3:3:	Ga[4]-4:Ga[4]-4:N-3:	N[4]-4:N[4]-4:N-3:N-3:	N[4]-4:N[4]-4:N-3:N-3:	N(Ga[4]N[4]2N)2(NCC)	Ga[4](N[4]Ga[4]HN)2(NGa[4]N)(NHN)	Ga[4](N[4]Ga[4]HN)2(NGa[4]N)(NHN)	N(Ga[4]N[4]2N)2(NCC)	Ga[4](N[4]Ga[4]HN)2(NGa[4]N)(NHN){2|N<3>}	Ga[4](N[4]Ga[4]HN)2(NGa[4]N)(NHN){2|N<3>}	129.7610	0.000	1	129.7610	0.000	1	129.7610	0.000	1	129.7610	0.000	1	129.7610	0.000	1	129.7610	0.000	1
956	878	880	0:SP3_SP-NON_SP3	N	Ga[4]	Si	4:4:4:	3:3:3:1:	3:4:4:4:	Ga[4]-4:Si-4:Si-4:	N[4]-3:N[4]-3:N-3:H-1:	N-3:C-4:C-4:C-4:	N(Ga[4]N[4]2H)(SiC3)2	Ga[4](N[4]Ga[4]C)2(NSi2)(H)	Si(NGa[4]Si)(CH3)3	N(Ga[4]N[4]2H)(SiC3)2	Ga[4](N[4]Ga[4]C)2(NSi2)(H){1|H<1>,1|N<3>}	Si(NGa[4]Si)(CH3)3	118.1880	9.904	2	118.1880	98.084	2	118.1880	98.084	2	118.1880	98.084	2	118.6680	21.992	6	118.6680	21.992	6
956	878	880	0:SP3_SP-NON_SP3	N	Ga[4]	Si	4:4:4:	4:3:3:3:	3:4:4:4:	Ga[4]-4:Si-4:Si-4:	C[5]-4:N[4]-3:N[4]-3:N-3:	N-3:C-4:C-4:C-4:	N(Ga[4]C[5]N[4]2)(SiC3)2	Ga[4](C[5]C[5]2C)(N[4]Ga[4]N)2(NSi2)	Si(NGa[4]Si)(CH3)3	N(Ga[4]C[5]N[4]2)(SiC3)2	Ga[4](C[5]C[5]2C)(N[4]Ga[4]N)2(NSi2){1|N<3>,2|C<3>,3|C<4>}	Si(NGa[4]Si)(CH3)3	120.5210	0.014	2	120.5210	0.000	2	120.5210	0.000	2	120.5210	0.000	2	118.6680	21.992	6	118.6680	21.992	6
956	878	880	0:SP3_SP-NON_SP3	N	Ga[4]	Si	4:4:4:	4:4:3:4:	3:4:4:4:	Ga[4]-4:Si-4:Si-4:	N[4]-4:N[4]-4:N-3:C-4:	N-3:C-4:C-4:C-4:	N(Ga[4]N[4]2C)(SiC3)2	Ga[4](N[4]Ga[4]HH)2(NSi2)(CH3)	Si(NGa[4]Si)(CH3)3	N(Ga[4]N[4]2C)(SiC3)2	Ga[4](N[4]Ga[4]HH)2(NSi2)(CH3){1|C<4>,1|N<3>}	Si(NGa[4]Si)(CH3)3	117.2950	0.882	2	117.2950	0.779	2	117.2950	0.779	2	117.2950	0.779	2	118.6680	21.992	6	118.6680	21.992	6
956	878	951	0:SP2_SP-NON_SP-NON	N	Ga[4]	H	4:3:1:	4:4:3:3:	3:	Ga[4]-4:N-3:H-1:	N[4]-4:N[4]-4:N-3:N-3:	N-3:	N(Ga[4]N[4]2N)(NCC)(H)	Ga[4](N[4]Ga[4]HN)2(NGa[4]N)(NHN)	H(NGa[4]N)	N(Ga[4]N[4]2N)(NCC)(H)	Ga[4](N[4]Ga[4]HN)2(NGa[4]N)(NHN){2|N<3>}	H(NGa[4]N)	121.2080	0.000	1	121.2080	0.000	1	121.2080	0.000	1	121.2080	0.000	1	121.2080	0.000	1	121.2080	0.000	1
956	878	951	0:SP3_SP-NON_SP-NON	N	Ga[4]	H	4:3:1:	4:4:3:3:	3:	Ga[4]-4:N-3:H-1:	N[4]-4:N[4]-4:N-3:N-3:	N-3:	N(Ga[4]N[4]2N)(NCC)(H)	Ga[4](N[4]Ga[4]HN)2(NGa[4]N)(NHN)	H(NGa[4]N)	N(Ga[4]N[4]2N)(NCC)(H)	Ga[4](N[4]Ga[4]HN)2(NGa[4]N)(NHN){2|N<3>}	H(NGa[4]N)	119.5080	0.000	1	119.5080	0.000	1	119.5080	0.000	1	119.5080	0.000	1	119.5080	0.000	1	119.5080	0.000	1
956	878	956	0:SP2_SP-NON_SP3	N	Ga[4]	N	4:3:1:	4:4:3:3:	3:4:4:	Ga[4]-4:N-3:H-1:	N[4]-4:N[4]-4:N-3:N-3:	N-3:C-4:C-4:	N(Ga[4]N[4]2N)(NCC)(H)	Ga[4](N[4]Ga[4]HN)2(NGa[4]N)(NHN)	N(NGa[4]H)(CH3)2	N(Ga[4]N[4]2N)(NCC)(H)	Ga[4](N[4]Ga[4]HN)2(NGa[4]N)(NHN){2|N<3>}	N(NGa[4]H)(CH3)2	117.5870	0.000	1	117.5870	0.000	1	117.5870	0.000	1	117.5870	0.000	1	117.5870	0.000	1	117.5870	0.000	1
956	878	956	0:SP3_SP-NON_SP3	N	Ga[4]	N	4:3:1:	4:4:3:3:	3:4:4:	Ga[4]-4:N-3:H-1:	N[4]-4:N[4]-4:N-3:N-3:	N-3:C-4:C-4:	N(Ga[4]N[4]2N)(NCC)(H)	Ga[4](N[4]Ga[4]HN)2(NGa[4]N)(NHN)	N(NGa[4]H)(CH3)2	N(Ga[4]N[4]2N)(NCC)(H)	Ga[4](N[4]Ga[4]HN)2(NGa[4]N)(NHN){2|N<3>}	N(NGa[4]H)(CH3)2	120.9990	0.000	1	120.9990	0.000	1	120.9990	0.000	1	120.9990	0.000	1	117.0740	55.002	3	117.0740	55.002	3
956	878	956	0:SP3_SP-NON_SP3	N	Ga[4]	N	4:4:3:	4:4:3:3:	3:4:4:	Ga[4]-4:Ga[4]-4:N-3:	N[4]-4:N[4]-4:N-3:N-3:	N-3:C-4:C-4:	N(Ga[4]N[4]2N)2(NCC)	Ga[4](N[4]Ga[4]HN)2(NGa[4]N)(NHN)	N(NGa[4]2)(CH3)2	N(Ga[4]N[4]2N)2(NCC)	Ga[4](N[4]Ga[4]HN)2(NGa[4]N)(NHN){2|N<3>}	N(NGa[4]2)(CH3)2	115.1115	9.322	2	115.1115	86.896	2	115.1115	86.896	2	115.1115	86.896	2	117.0740	55.002	3	117.0740	55.002	3
956	880	880	0:SP2_SP3_SP3	N	Si	Si	3:4:4:	3:1:1:1:	3:4:4:4:	B[5a]-3:Si-4:Si-4:	N-3:Cl-1:Cl-1:H-1:	N-3:C-4:C-4:C-4:	N(B[5a]N[5a]2)(SiCl2H)(SiC3)	Si(NB[5a]Si)(Cl)2(H)	Si(NB[5a]Si)(CH3)3	N(B[5a]N[5a]2)(SiCl2H)(SiC3)	Si(NB[5a]Si)(Cl)2(H)	Si(NB[5a]Si)(CH3)3	120.8330	0.000	1	120.8330	0.000	1	120.8330	0.000	1	120.8330	0.000	1	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	3:4:4:	3:2:1:1:	3:4:4:4:	C[6a]-3:Si-4:Si-4:	N-3:O-2:O-1:O-1:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiC3)(SiO3)	Si(NC[6a]Si)(OH)(O)2	Si(NC[6a]Si)(CH3)3	N(C[6a]C[6a]2)(SiC3)(SiO3)	Si(NC[6a]Si)(OH)(O)2	Si(NC[6a]Si)(CH3)3	123.6338	1.671	10	123.6338	2.791	10	123.6338	2.791	10	123.6338	2.791	10	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	3:4:4:	3:2:2:1:	3:4:4:4:	C[6a]-3:Si-4:Si-4:	N-3:O-2:O-2:O-1:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiC3)(SiO3)	Si(NC[6a]Si)(OH)2(O)	Si(NC[6a]Si)(CH3)3	N(C[6a]C[6a]2)(SiC3)(SiO3)	Si(NC[6a]Si)(OH)2(O)	Si(NC[6a]Si)(CH3)3	124.0930	0.969	4	124.0930	0.939	4	124.0930	0.939	4	124.0930	0.939	4	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	3:4:4:	3:3:1:1:	3:4:4:4:	C[6a]-3:Si-4:Si-4:	B[5a]-3:N-3:H-1:H-1:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiB[5a]HH)(SiC3)	Si(B[5a]N[5a]2)(NC[6a]Si)(H)2	Si(NC[6a]Si)(CH3)3	N(C[6a]C[6a]2)(SiB[5a]HH)(SiC3)	Si(B[5a]N[5a]2)(NC[6a]Si)(H)2	Si(NC[6a]Si)(CH3)3	126.4030	0.000	1	126.4030	0.000	1	126.4030	0.000	1	121.7247	9.515	7	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	3:4:4:	3:3:1:1:	3:4:4:4:	C[6a]-3:Si-4:Si-4:	B[5a]-3:N-3:I-1:I-1:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiB[5a]II)(SiC3)	Si(B[5a]N[5a]2)(NC[6a]Si)(I)2	Si(NC[6a]Si)(CH3)3	N(C[6a]C[6a]2)(SiB[5a]II)(SiC3)	Si(B[5a]N[5a]2)(NC[6a]Si)(I)2	Si(NC[6a]Si)(CH3)3	121.3510	0.000	1	121.3510	0.000	1	121.3510	0.000	1	121.7247	9.515	7	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	3:4:4:	3:3:1:1:	3:4:4:4:	C[6a]-3:Si-4:Si-4:	C[5]-3:N-3:Cl-1:H-1:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiC[5]ClH)(SiC3)	Si(C[5]C[5]N[5])(NC[6a]Si)(Cl)(H)	Si(NC[6a]Si)(CH3)3	N(C[6a]C[6a]2)(SiC[5]ClH)(SiC3)	Si(C[5]C[5]N[5])(NC[6a]Si)(Cl)(H)	Si(NC[6a]Si)(CH3)3	121.1230	0.000	1	121.1230	0.000	1	121.1230	0.000	1	121.7247	9.515	7	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	3:4:4:	3:3:1:1:	3:4:4:4:	C[6a]-3:Si-4:Si-4:	N-3:As-3:H-1:H-1:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiAsHH)(SiC3)	Si(NC[6a]Si)(AsNiH)(H)2	Si(NC[6a]Si)(CH3)3	N(C[6a]C[6a]2)(SiAsHH)(SiC3)	Si(NC[6a]Si)(AsNiH)(H)2	Si(NC[6a]Si)(CH3)3	120.7905	3.932	2	120.7905	15.462	2	120.7905	15.462	2	121.7247	9.515	7	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	3:4:4:	3:3:1:1:	3:4:4:4:	C[6a]-3:Si-4:Si-4:	N-3:P-3:H-1:H-1:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiHHP)(SiC3)	Si(NC[6a]Si)(PNiH)(H)2	Si(NC[6a]Si)(CH3)3	N(C[6a]C[6a]2)(SiHHP)(SiC3)	Si(NC[6a]Si)(PNiH)(H)2	Si(NC[6a]Si)(CH3)3	120.8075	3.976	2	120.8075	15.809	2	120.8075	15.809	2	121.7247	9.515	7	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	3:4:4:	3:3:2:2:	3:4:4:4:	B[5a]-3:Si-4:Si-4:	N-3:N-3:O-2:O-2:	N-3:C-4:C-4:C-4:	N(B[5a]N[5a]2)(SiNOO)(SiC3)	Si(NB[5a]Si)2(OC)(OH)	Si(NB[5a]Si)(CH3)3	N(B[5a]N[5a]2)(SiNOO)(SiC3)	Si(NB[5a]Si)2(OC)(OH)	Si(NB[5a]Si)(CH3)3	124.1710	5.684	2	124.1710	32.305	2	124.1710	32.305	2	124.1710	32.305	2	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	3:4:4:	3:3:3:4:	3:1:1:1:	C[6a]-3:Si-4:Si-4:	C[6a]-3:C[6a]-3:N-3:C-4:	N-3:Cl-1:Cl-1:Cl-1:	N(C[6a]C[6a]2)(SiC[6a]2C)(SiCl3)	Si(C[6a]C[6a]2)2(NC[6a]Si)(CH3)	Si(NC[6a]Si)(Cl)3	N(C[6a]C[6a]2)(SiC[6a]2C)(SiCl3)	Si(C[6a]C[6a]2)2(NC[6a]Si)(CH3)	Si(NC[6a]Si)(Cl)3	122.0810	0.000	1	122.0810	0.000	1	122.0810	0.000	1	122.0810	0.000	1	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	3:4:4:	3:4:1:1:	3:4:4:4:	C[6a]-3:Si-4:Si-4:	N-3:P-4:H-1:H-1:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiHHP)(SiC3)	Si(NC[6a]Si)(PNi2P)(H)2	Si(NC[6a]Si)(CH3)3	N(C[6a]C[6a]2)(SiHHP)(SiC3)	Si(NC[6a]Si)(PNi2P)(H)2	Si(NC[6a]Si)(CH3)3	122.0720	0.000	1	122.0720	0.000	1	122.0720	0.000	1	122.0720	0.000	1	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	3:4:4:	3:4:2:2:	3:4:4:4:	C[6a]-3:Si-4:Si-4:	N-3:C-4:O-2:O-2:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiCOO)(SiC3)	Si(NC[6a]Si)(CH3)(OAl)2	Si(NC[6a]Si)(CH3)3	N(C[6a]C[6a]2)(SiCOO)(SiC3)	Si(NC[6a]Si)(CH3)(OAl)2	Si(NC[6a]Si)(CH3)3	123.3990	0.000	1	123.3990	0.000	1	123.3990	0.000	1	123.3990	0.000	1	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	3:4:4:	3:4:3:1:	3:4:4:4:	C[6a]-3:Si-4:Si-4:	N-3:Si-4:N-3:H-1:	N-3:C-4:C-4:C-4:	N(C[6a]C[6a]2)(SiSiHN)(SiC3)	Si(NC[6a]Si)(SiSi3)(NHH)(H)	Si(NC[6a]Si)(CH3)3	N(C[6a]C[6a]2)(SiSiHN)(SiC3)	Si(NC[6a]Si)(SiSi3)(NHH)(H)	Si(NC[6a]Si)(CH3)3	129.8710	0.000	1	129.8710	0.000	1	129.8710	0.000	1	129.8710	0.000	1	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	3:4:4:	3:4:4:4:	3:2:2:2:	C[6a]-3:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:O-2:O-2:O-2:	N(C[6a]C[6a]2)(SiC3)(SiO3)	Si(NC[6a]Si)(CH3)3	Si(NC[6a]Si)(OH)3	N(C[6a]C[6a]2)(SiC3)(SiO3)	Si(NC[6a]Si)(CH3)3	Si(NC[6a]Si)(OH)3	124.3790	1.167	4	124.3790	1.363	4	124.3790	1.363	4	124.3790	1.363	4	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	3:4:4:	3:4:4:4:	3:4:4:4:	As-3:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(AsCl2)(SiC3)2	Si(NAsSi)(CH3)3	Si(NAsSi)(CH3)3	N(AsCl2)(SiC3)2	Si(NAsSi)(CH3)3	Si(NAsSi)(CH3)3	122.6040	0.000	1	122.6040	0.000	1	121.6165	1.950	2	123.1858	11.974	39	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	3:4:4:	3:4:4:4:	3:4:4:4:	As-3:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(AsClN)(SiC3)2	Si(NAsSi)(CH3)3	Si(NAsSi)(CH3)3	N(AsClN)(SiC3)2	Si(NAsSi)(CH3)3	Si(NAsSi)(CH3)3	120.6290	0.000	1	120.6290	0.000	1	121.6165	1.950	2	123.1858	11.974	39	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	3:4:4:	3:4:4:4:	3:4:4:4:	B-3:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(BC[5]Cl)(SiC3)2	Si(NSiB)(CH3)3	Si(NSiB)(CH3)3	N(BC[5]Cl)(SiC3)2	Si(NSiB)(CH3)3	Si(NSiB)(CH3)3	121.3730	0.000	1	121.3730	0.000	1	122.1535	5.965	4	123.1858	11.974	39	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	3:4:4:	3:4:4:4:	3:4:4:4:	B-3:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(BC[6a]2)(SiC3)2	Si(NSiB)(CH3)3	Si(NSiB)(CH3)3	N(BC[6a]2)(SiC3)2	Si(NSiB)(CH3)3	Si(NSiB)(CH3)3	119.0830	0.000	1	119.0830	0.000	1	122.1535	5.965	4	123.1858	11.974	39	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	3:4:4:	3:4:4:4:	3:4:4:4:	B-3:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(BFePt)(SiC3)2	Si(NSiB)(CH3)3	Si(NSiB)(CH3)3	N(BFePt)(SiC3)2	Si(NSiB)(CH3)3	Si(NSiB)(CH3)3	124.0790	0.666	2	124.0790	0.444	2	122.1535	5.965	4	123.1858	11.974	39	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	3:4:4:	3:4:4:4:	3:4:4:4:	B[3a]-3:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(B[3a]C[3a]2)(SiC3)2	Si(NB[3a]Si)(CH3)3	Si(NB[3a]Si)(CH3)3	N(B[3a]C[3a]2)(SiC3)2	Si(NB[3a]Si)(CH3)3	Si(NB[3a]Si)(CH3)3	126.7752	2.995	9	126.7752	8.971	9	126.7752	8.971	9	123.1858	11.974	39	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	3:4:4:	3:4:4:4:	3:4:4:4:	B[4]-3:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(B[4]C[4]N[4])(SiC3)2	Si(NB[4]Si)(CH3)3	Si(NB[4]Si)(CH3)3	N(B[4]C[4]N[4])(SiC3)2	Si(NB[4]Si)(CH3)3	Si(NB[4]Si)(CH3)3	119.7570	1.196	6	119.7570	1.431	6	120.7027	7.453	7	123.1858	11.974	39	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	3:4:4:	3:4:4:4:	3:4:4:4:	B[4]-3:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(B[4]Se[4]2)(SiC3)2	Si(NB[4]Si)(CH3)3	Si(NB[4]Si)(CH3)3	N(B[4]Se[4]2)(SiC3)2	Si(NB[4]Si)(CH3)3	Si(NB[4]Si)(CH3)3	126.3770	0.000	1	126.3770	0.000	1	120.7027	7.453	7	123.1858	11.974	39	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	3:4:4:	3:4:4:4:	3:4:4:4:	B[5]-3:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(B[5]C[5,6a]2)(SiC3)2	Si(NB[5]Si)(CH3)3	Si(NB[5]Si)(CH3)3	N(B[5]C[5,6a]2)(SiC3)2	Si(NB[5]Si)(CH3)3	Si(NB[5]Si)(CH3)3	119.3700	0.000	1	119.3700	0.000	1	120.5765	2.911	2	123.1858	11.974	39	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	3:4:4:	3:4:4:4:	3:4:4:4:	B[5]-3:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(B[5]C[5]2)(SiC3)2	Si(NB[5]Si)(CH3)3	Si(NB[5]Si)(CH3)3	N(B[5]C[5]2)(SiC3)2	Si(NB[5]Si)(CH3)3	Si(NB[5]Si)(CH3)3	121.7830	0.000	1	121.7830	0.000	1	120.5765	2.911	2	123.1858	11.974	39	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	3:4:4:	3:4:4:4:	3:4:4:4:	C-3:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(CC[6a]N)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	N(CC[6a]N)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	123.9570	0.000	1	123.9570	0.000	1	123.9570	0.000	1	123.1858	11.974	39	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	3:4:4:	3:4:4:4:	3:4:4:4:	Ga-3:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(GaFe2)(SiC3)2	Si(NGaSi)(CH3)3	Si(NGaSi)(CH3)3	N(GaFe2)(SiC3)2	Si(NGaSi)(CH3)3	Si(NGaSi)(CH3)3	123.0920	0.000	1	123.0920	0.000	1	123.0920	0.000	1	123.1858	11.974	39	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	3:4:4:	3:4:4:4:	3:4:4:4:	Ge-3:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(GeFeN)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	N(GeFeN)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	124.2810	0.062	2	124.2810	0.004	2	124.2810	0.004	2	123.1858	11.974	39	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	3:4:4:	3:4:4:4:	3:4:4:4:	Ge[4]-3:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Ge[4]N[4]2)(SiC3)2	Si(NGe[4]Si)(CH3)3	Si(NGe[4]Si)(CH3)3	N(Ge[4]N[4]2)(SiC3)2	Si(NGe[4]Si)(CH3)3	Si(NGe[4]Si)(CH3)3	121.0465	1.378	2	121.0465	1.899	2	121.0465	1.899	2	123.1858	11.974	39	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	3:4:4:	3:4:4:4:	3:4:4:4:	N-3:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(NC[5a]Si)(SiC3)2	Si(NSiN)(CH3)3	Si(NSiN)(CH3)3	N(NC[5a]Si)(SiC3)2	Si(NSiN)(CH3)3	Si(NSiN)(CH3)3	128.2080	0.120	2	128.2080	0.014	2	128.2080	0.014	2	123.1858	11.974	39	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	3:4:4:	3:4:4:4:	3:4:4:4:	N[4]-3:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(N[4]P[4]2)(SiC3)2	Si(NN[4]Si)(CH3)3	Si(NN[4]Si)(CH3)3	N(N[4]P[4]2)(SiC3)2	Si(NN[4]Si)(CH3)3	Si(NN[4]Si)(CH3)3	127.9200	0.000	1	127.9200	0.000	1	127.9200	0.000	1	123.1858	11.974	39	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	3:4:4:	3:4:4:4:	3:4:4:4:	P[5,5]-3:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(P[5,5]C[5,5,6]2)(SiC3)2	Si(NP[5,5]Si)(CH3)3	Si(NP[5,5]Si)(CH3)3	N(P[5,5]C[5,5,6]2)(SiC3)2	Si(NP[5,5]Si)(CH3)3	Si(NP[5,5]Si)(CH3)3	121.4360	0.000	1	121.4360	0.000	1	121.4360	0.000	1	123.1858	11.974	39	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	3:4:4:	3:4:4:4:	3:4:4:4:	P[5]-3:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(P[5]N[5,6]N[5])(SiC3)2	Si(NP[5]Si)(CH3)3	Si(NP[5]Si)(CH3)3	N(P[5]N[5,6]N[5])(SiC3)2	Si(NP[5]Si)(CH3)3	Si(NP[5]Si)(CH3)3	121.1000	0.000	1	121.1000	0.000	1	121.1000	0.000	1	123.1858	11.974	39	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	3:4:4:	3:4:4:4:	3:4:4:4:	P[6]-3:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(P[6]C[5,6]2)(SiC3)2	Si(NP[6]Si)(CH3)3	Si(NP[6]Si)(CH3)3	N(P[6]C[5,6]2)(SiC3)2	Si(NP[6]Si)(CH3)3	Si(NP[6]Si)(CH3)3	121.0770	0.758	2	121.0770	0.575	2	121.0770	0.575	2	123.1858	11.974	39	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	3:4:4:	3:4:4:4:	3:4:4:4:	Si-3:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(SiC[5]Si)(SiC3)2	Si(NSi2)(CH3)3	Si(NSi2)(CH3)3	N(SiC[5]Si)(SiC3)2	Si(NSi2)(CH3)3	Si(NSi2)(CH3)3	119.3110	0.147	2	119.3110	0.022	2	119.3110	0.022	2	123.1858	11.974	39	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:1:	3:2:2:2:	3:2:2:2:	Si-4:Si-4:H-1:	N-3:O-2:O-2:O-2:	N-3:O-2:O-2:O-2:	N(SiO3)2(H)	Si(NSiH)(OC)3	Si(NSiH)(OC)3	N(SiO3)2(H)	Si(NSiH)(OC)3	Si(NSiH)(OC)3	134.8960	0.000	1	134.8960	0.000	1	134.8960	0.000	1	134.8960	0.000	1	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:1:	3:3:3:2:	3:3:3:2:	Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:N-3:O-2:	C[6a]-3:C[6a]-3:N-3:O-2:	N(SiC[6a]2O)2(H)	Si(C[6a]C[6a]2)2(NSiH)(OSi)	Si(C[6a]C[6a]2)2(NSiH)(OSi)	N(SiC[6a]2O)2(H)	Si(C[6a]C[6a]2)2(NSiH)(OSi)	Si(C[6a]C[6a]2)2(NSiH)(OSi)	132.8690	0.000	1	132.8690	0.000	1	132.8690	0.000	1	132.8690	0.000	1	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:1:	3:3:3:3:	4:4:3:3:	Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	C-4:C-4:N-3:N-3:	N(SiC[6a]3)(SiCCN)(H)	Si(C[6a]C[6a]2)3(NSiH)	Si(CCCH)2(NSiH)2	N(SiC[6a]3)(SiCCN)(H)	Si(C[6a]C[6a]2)3(NSiH)	Si(CCCH)2(NSiH)2	139.7125	0.537	2	139.7125	0.288	2	139.7125	0.288	2	139.7125	0.288	2	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:1:	3:3:4:4:	3:3:4:4:	Si-4:Si-4:H-1:	C[6a]-3:N-3:C-4:C-4:	C[6a]-3:N-3:C-4:C-4:	N(SiC[6a]CC)2(H)	Si(C[6a]C[6a]2)(NSiH)(CH3)2	Si(C[6a]C[6a]2)(NSiH)(CH3)2	N(SiC[6a]CC)2(H)	Si(C[6a]C[6a]2)(NSiH)(CH3)2	Si(C[6a]C[6a]2)(NSiH)(CH3)2	133.9840	0.168	2	133.9840	0.028	2	133.9840	0.028	2	133.9840	0.028	2	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:1:	4:3:4:4:	4:3:4:4:	Si-4:Si-4:H-1:	C-4:N-3:C-4:C-4:	C-4:N-3:C-4:C-4:	N(SiC3)2(H)	Si(CHHP)(NSiH)(CH3)2	Si(CHHP)(NSiH)(CH3)2	N(SiC3)2(H)	Si(CHHP)(NSiH)(CH3)2	Si(CHHP)(NSiH)(CH3)2	133.8420	0.000	1	133.8420	0.000	1	133.8420	0.000	1	133.8420	0.000	1	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:2:	3:4:4:4:	3:4:4:4:	Si-4:Si-4:As-2:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(SiC3)2(AsN)	Si(NAsSi)(CH3)3	Si(NAsSi)(CH3)3	N(SiC3)2(AsN)	Si(NAsSi)(CH3)3	Si(NAsSi)(CH3)3	120.8020	0.320	2	120.8020	0.102	2	120.8020	0.102	2	126.8235	20.395	23	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:2:	3:4:4:4:	3:4:4:4:	Si-4:Si-4:B-2:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(SiC3)2(BCr)	Si(NSiB)(CH3)3	Si(NSiB)(CH3)3	N(SiC3)2(BCr)	Si(NSiB)(CH3)3	Si(NSiB)(CH3)3	125.0740	0.000	1	125.0740	0.000	1	123.1606	1.045	8	126.8235	20.395	23	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:2:	3:4:4:4:	3:4:4:4:	Si-4:Si-4:B-2:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(SiC3)2(BFe)	Si(NSiB)(CH3)3	Si(NSiB)(CH3)3	N(SiC3)2(BFe)	Si(NSiB)(CH3)3	Si(NSiB)(CH3)3	122.8873	0.722	7	122.8873	0.522	7	123.1606	1.045	8	126.8235	20.395	23	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:2:	3:4:4:4:	3:4:4:4:	Si-4:Si-4:N-2:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(SiC3)2(NC)	Si(NSiN)(CH3)3	Si(NSiN)(CH3)3	N(SiC3)2(NC)	Si(NSiN)(CH3)3	Si(NSiN)(CH3)3	132.1433	1.504	7	132.1433	2.261	7	131.1592	3.280	11	126.8235	20.395	23	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:2:	3:4:4:4:	3:4:4:4:	Si-4:Si-4:N-2:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(SiC3)2(NCr)	Si(NSiN)(CH3)3	Si(NSiN)(CH3)3	N(SiC3)2(NCr)	Si(NSiN)(CH3)3	Si(NSiN)(CH3)3	129.3325	0.678	2	129.3325	0.460	2	131.1592	3.280	11	126.8235	20.395	23	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:2:	3:4:4:4:	3:4:4:4:	Si-4:Si-4:N-2:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(SiC3)2(NFe)	Si(NSiN)(CH3)3	Si(NSiN)(CH3)3	N(SiC3)2(NFe)	Si(NSiN)(CH3)3	Si(NSiN)(CH3)3	129.5415	0.291	2	129.5415	0.084	2	131.1592	3.280	11	126.8235	20.395	23	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:2:	3:4:4:4:	3:4:4:4:	Si-4:Si-4:P-2:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(SiC3)2(PN)	Si(NSiP)(CH3)3	Si(NSiP)(CH3)3	N(SiC3)2(PN)	Si(NSiP)(CH3)3	Si(NSiP)(CH3)3	122.7260	0.000	1	122.7260	0.000	1	123.6505	1.709	2	126.8235	20.395	23	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:2:	3:4:4:4:	3:4:4:4:	Si-4:Si-4:P-2:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(SiC3)2(PO)	Si(NSiP)(CH3)3	Si(NSiP)(CH3)3	N(SiC3)2(PO)	Si(NSiP)(CH3)3	Si(NSiP)(CH3)3	124.5750	0.000	1	124.5750	0.000	1	123.6505	1.709	2	126.8235	20.395	23	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:3:	3:3:1:1:	3:4:4:4:	Si-4:Si-4:N-3:	C[6a]-3:N-3:F-1:F-1:	N-3:C-4:C-4:C-4:	N(SiC[6a]FF)(SiC3)(NCC)	Si(C[6a]C[6a]2)(NSiN)(F)2	Si(NSiN)(CH3)3	N(SiC[6a]FF)(SiC3)(NCC)	Si(C[6a]C[6a]2)(NSiN)(F)2	Si(NSiN)(CH3)3	140.7130	0.000	1	140.7130	0.000	1	140.7130	0.000	1	140.7130	0.000	1	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:3:	3:4:4:1:	3:4:4:4:	Si-4:Si-4:N-3:	N-3:C-4:C-4:Cl-1:	N-3:C-4:C-4:C-4:	N(SiClCC)(SiC3)(NSiP)	Si(NSiN)(CH3)2(Cl)	Si(NSiN)(CH3)3	N(SiClCC)(SiC3)(NSiP)	Si(NSiN)(CH3)2(Cl)	Si(NSiN)(CH3)3	123.2290	0.000	1	123.2290	0.000	1	123.2290	0.000	1	123.2290	0.000	1	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:3:	3:4:4:4:	3:4:4:4:	Si-4:Si-4:B-3:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(SiC3)2(BClC)	Si(NSiB)(CH3)3	Si(NSiB)(CH3)3	N(SiC3)2(BClC)	Si(NSiB)(CH3)3	Si(NSiB)(CH3)3	120.1550	0.600	2	120.1550	0.360	2	121.3562	4.292	9	122.6235	5.547	15	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:3:	3:4:4:4:	3:4:4:4:	Si-4:Si-4:B-3:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(SiC3)2(BFeB)	Si(NSiB)(CH3)3	Si(NSiB)(CH3)3	N(SiC3)2(BFeB)	Si(NSiB)(CH3)3	Si(NSiB)(CH3)3	121.8373	1.683	3	121.8373	2.832	3	121.3562	4.292	9	122.6235	5.547	15	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:3:	3:4:4:4:	3:4:4:4:	Si-4:Si-4:B-3:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(SiC3)2(BFeC)	Si(NSiB)(CH3)3	Si(NSiB)(CH3)3	N(SiC3)2(BFeC)	Si(NSiB)(CH3)3	Si(NSiB)(CH3)3	120.6213	2.559	3	120.6213	6.551	3	121.3562	4.292	9	122.6235	5.547	15	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:3:	3:4:4:4:	3:4:4:4:	Si-4:Si-4:B-3:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(SiC3)2(BPtW)	Si(NSiB)(CH3)3	Si(NSiB)(CH3)3	N(SiC3)2(BPtW)	Si(NSiB)(CH3)3	Si(NSiB)(CH3)3	124.5200	0.000	1	124.5200	0.000	1	121.3562	4.292	9	122.6235	5.547	15	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:3:	3:4:4:4:	3:4:4:4:	Si-4:Si-4:C-3:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(SiC3)2(CNN)	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	N(SiC3)2(CNN)	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	125.0165	0.062	2	125.0165	0.004	2	125.0165	0.004	2	122.6235	5.547	15	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:3:	3:4:4:4:	3:4:4:4:	Si-4:Si-4:N-3:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(SiC3)2(NSiP)	Si(NSiN)(CH3)3	Si(NSiN)(CH3)3	N(SiC3)2(NSiP)	Si(NSiN)(CH3)3	Si(NSiN)(CH3)3	124.2782	1.468	4	124.2782	2.155	4	124.2782	2.155	4	122.6235	5.547	15	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:3:	4:4:4:3:	3:4:4:4:	Si-4:Si-4:P-3:	Si-4:Si-4:Si-4:N-3:	N-3:C-4:C-4:C-4:	N(SiSi3)(SiC3)(PCl2)	Si(SiC3)3(NSiP)	Si(NSiP)(CH3)3	N(SiSi3)(SiC3)(PCl2)	Si(SiC3)3(NSiP)	Si(NSiP)(CH3)3	124.0150	0.000	1	124.0150	0.000	1	123.7355	0.156	2	123.7355	0.156	2	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:3:	4:4:4:3:	3:4:4:4:	Si-4:Si-4:P-3:	Si-4:Si-4:Si-4:N-3:	N-3:C-4:C-4:C-4:	N(SiSi3)(SiC3)(POO)	Si(SiC3)3(NSiP)	Si(NSiP)(CH3)3	N(SiSi3)(SiC3)(POO)	Si(SiC3)3(NSiP)	Si(NSiP)(CH3)3	123.4560	0.000	1	123.4560	0.000	1	123.7355	0.156	2	123.7355	0.156	2	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:2:1:1:	3:4:4:4:	Si-4:Si-4:Si-4:	N-3:O-2:H-1:H-1:	N-3:C-4:C-4:C-4:	N(SiHHO)(SiC3)2	Si(NSi2)(OC)(H)2	Si(NSi2)(CH3)3	N(SiHHO)(SiC3)2	Si(NSi2)(OC)(H)2	Si(NSi2)(CH3)3	120.0245	3.089	2	120.0245	9.544	2	120.0245	9.544	2	120.0245	9.544	2	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:3:3:1:	3:4:4:4:	Si-4:Si-4:Si-4:	C[6a]-3:N-3:N-3:F-1:	N-3:C-4:C-4:C-4:	N(SiC[6a]FN)(SiC3)2	Si(C[6a]C[6a]2)(NSi2)(NCC)(F)	Si(NSi2)(CH3)3	N(SiC[6a]FN)(SiC3)2	Si(C[6a]C[6a]2)(NSi2)(NCC)(F)	Si(NSi2)(CH3)3	121.7070	5.574	4	121.7070	31.066	4	121.7070	31.066	4	121.7070	31.066	4	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:3:3:3:	3:4:4:4:	Si-4:C-4:Si-4:	C[6a]-3:N-3:N-3:N-3:	N-3:C-4:C-4:C-4:	N(SiC[6a]NN)(CCHH)(SiC3)	Si(C[6a]C[6a]2)(NSiC)3	Si(NSiC)(CH3)3	N(SiC[6a]NN)(CCHH)(SiC3)	Si(C[6a]C[6a]2)(NSiC)3	Si(NSiC)(CH3)3	128.5860	0.000	1	128.5860	0.000	1	128.5860	0.000	1	128.5860	0.000	1	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:3:	3:4:4:4:	Si[4]-4:Si-4:Si-4:	N-3:C-4:C-4:C-3:	N-3:C-4:C-4:C-4:	N(Si[4]N[4]2Cu)(SiC3)2	Si(NSi[4]Si)(CH3)2(CHH)	Si(NSi[4]Si)(CH3)3	N(Si[4]N[4]2Cu)(SiC3)2	Si(NSi[4]Si)(CH3)2(CHH)	Si(NSi[4]Si)(CH3)3	118.6170	0.000	1	118.6170	0.000	1	118.6170	0.000	1	118.6170	0.000	1	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	B-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(BC[5]CV)(SiC3)2	Si(NSiB)(CH3)3	Si(NSiB)(CH3)3	N(BC[5]CV)(SiC3)2	Si(NSiB)(CH3)3	Si(NSiB)(CH3)3	121.9610	0.000	1	121.9610	0.000	1	122.8737	0.856	3	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	B-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(BC[5]HW)(SiC3)2	Si(NSiB)(CH3)3	Si(NSiB)(CH3)3	N(BC[5]HW)(SiC3)2	Si(NSiB)(CH3)3	Si(NSiB)(CH3)3	123.3300	0.680	2	123.3300	0.463	2	122.8737	0.856	3	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	B[3a]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(B[3a]C[3a]2C[5])(SiC3)2	Si(NB[3a]Si)(CH3)3	Si(NB[3a]Si)(CH3)3	N(B[3a]C[3a]2C[5])(SiC3)2	Si(NB[3a]Si)(CH3)3	Si(NB[3a]Si)(CH3)3	120.4060	0.000	1	120.4060	0.000	1	120.4060	0.000	1	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	C-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(CAlNN)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	N(CAlNN)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	124.0080	0.000	1	124.0080	0.000	1	123.6524	2.216	31	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	C-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(CCeNN)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	N(CCeNN)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	122.5424	1.167	5	122.5424	1.362	5	123.6524	2.216	31	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	C-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(CCoNN)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	N(CCoNN)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	125.9870	0.000	1	125.9870	0.000	1	123.6524	2.216	31	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	C-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(CErNN)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	N(CErNN)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	124.2240	1.339	6	124.2240	1.793	6	123.6524	2.216	31	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	C-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(CIrNN)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	N(CIrNN)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	120.1630	0.000	1	120.1630	0.000	1	123.6524	2.216	31	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	C-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(CMgNN)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	N(CMgNN)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	124.2657	1.427	3	124.2657	2.035	3	123.6524	2.216	31	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	C-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(CNNY)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	N(CNNY)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	122.5910	0.633	4	122.5910	0.401	4	123.6524	2.216	31	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	C-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(CNdNN)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	N(CNdNN)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	123.5092	1.329	5	123.5092	1.766	5	123.6524	2.216	31	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	C-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(CSnNN)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	N(CSnNN)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	124.7660	0.000	1	124.7660	0.000	1	123.6524	2.216	31	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	C-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(CYbNN)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	N(CYbNN)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	124.8845	0.515	4	124.8845	0.265	4	123.6524	2.216	31	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ga-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(GaN[3x6]HN)(SiC3)2	Si(NGaSi)(CH3)3	Si(NGaSi)(CH3)3	N(GaN[3x6]HN)(SiC3)2	Si(NGaSi)(CH3)3	Si(NGaSi)(CH3)3	117.5480	0.805	2	117.5480	0.648	2	117.5480	0.648	2	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ga[5]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Ga[5]N[5]2C)(SiC3)2	Si(NGa[5]Si)(CH3)3	Si(NGa[5]Si)(CH3)3	N(Ga[5]N[5]2C)(SiC3)2	Si(NGa[5]Si)(CH3)3	Si(NGa[5]Si)(CH3)3	122.3710	0.000	1	122.3710	0.000	1	122.3710	0.000	1	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ga[6]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Ga[6]N[6]2N)(SiC3)2	Si(NGa[6]Si)(CH3)3	Si(NGa[6]Si)(CH3)3	N(Ga[6]N[6]2N)(SiC3)2	Si(NGa[6]Si)(CH3)3	Si(NGa[6]Si)(CH3)3	120.9860	0.000	1	120.9860	0.000	1	120.9860	0.000	1	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ge-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(GeClNN)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	N(GeClNN)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	116.1020	0.000	1	116.1020	0.000	1	119.0137	7.344	14	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ge-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(GeClNP)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	N(GeClNP)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	116.5765	0.238	2	116.5765	0.057	2	119.0137	7.344	14	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ge-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(GeClRhO)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	N(GeClRhO)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	124.0980	0.000	1	124.0980	0.000	1	119.0137	7.344	14	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ge-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(GeCo2N)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	N(GeCo2N)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	122.0900	0.000	1	122.0900	0.000	1	119.0137	7.344	14	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ge-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(GeNOO)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	N(GeNOO)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	120.2220	1.761	2	120.2220	3.100	2	119.0137	7.344	14	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ge-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(GeNOS)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	N(GeNOS)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	119.5830	0.000	1	119.5830	0.000	1	119.0137	7.344	14	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ge-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(GeN[5a]2N)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	N(GeN[5a]2N)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	117.9855	0.436	2	117.9855	0.190	2	119.0137	7.344	14	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ge-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(GePtNO)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	N(GePtNO)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	117.4640	2.509	2	117.4640	6.294	2	119.0137	7.344	14	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ge-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(GeRu3)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	N(GeRu3)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	122.9430	0.000	1	122.9430	0.000	1	119.0137	7.344	14	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ge-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(GeSe2N)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	N(GeSe2N)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	116.8800	0.000	1	116.8800	0.000	1	119.0137	7.344	14	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ge[4]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Ge[4]N[4]2Ge)(SiC3)2	Si(NGe[4]Si)(CH3)3	Si(NGe[4]Si)(CH3)3	N(Ge[4]N[4]2Ge)(SiC3)2	Si(NGe[4]Si)(CH3)3	Si(NGe[4]Si)(CH3)3	118.8830	0.000	1	118.8830	0.000	1	122.1070	4.975	4	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ge[4]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Ge[4]N[4]2O)(SiC3)2	Si(NGe[4]Si)(CH3)3	Si(NGe[4]Si)(CH3)3	N(Ge[4]N[4]2O)(SiC3)2	Si(NGe[4]Si)(CH3)3	Si(NGe[4]Si)(CH3)3	123.4110	0.867	2	123.4110	0.752	2	122.1070	4.975	4	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ge[4]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Ge[4]N[4]2Se)(SiC3)2	Si(NGe[4]Si)(CH3)3	Si(NGe[4]Si)(CH3)3	N(Ge[4]N[4]2Se)(SiC3)2	Si(NGe[4]Si)(CH3)3	Si(NGe[4]Si)(CH3)3	122.7230	0.000	1	122.7230	0.000	1	122.1070	4.975	4	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ge[5,5]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Ge[5,5]P[3x5,6]2N)(SiC3)2	Si(NGe[5,5]Si)(CH3)3	Si(NGe[5,5]Si)(CH3)3	N(Ge[5,5]P[3x5,6]2N)(SiC3)2	Si(NGe[5,5]Si)(CH3)3	Si(NGe[5,5]Si)(CH3)3	114.1230	0.410	5	114.1230	0.168	5	114.1230	0.168	5	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ge[5]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Ge[5]N[5]2S)(SiC3)2	Si(NGe[5]Si)(CH3)3	Si(NGe[5]Si)(CH3)3	N(Ge[5]N[5]2S)(SiC3)2	Si(NGe[5]Si)(CH3)3	Si(NGe[5]Si)(CH3)3	120.3520	0.000	1	120.3520	0.000	1	119.6710	0.359	3	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ge[5]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Ge[5]N[5]2Se)(SiC3)2	Si(NGe[5]Si)(CH3)3	Si(NGe[5]Si)(CH3)3	N(Ge[5]N[5]2Se)(SiC3)2	Si(NGe[5]Si)(CH3)3	Si(NGe[5]Si)(CH3)3	119.4380	0.000	1	119.4380	0.000	1	119.6710	0.359	3	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ge[5]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Ge[5]N[5]2Te)(SiC3)2	Si(NGe[5]Si)(CH3)3	Si(NGe[5]Si)(CH3)3	N(Ge[5]N[5]2Te)(SiC3)2	Si(NGe[5]Si)(CH3)3	Si(NGe[5]Si)(CH3)3	119.2230	0.000	1	119.2230	0.000	1	119.6710	0.359	3	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	In-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(InN[6]NN)(SiC3)2	Si(NInSi)(CH3)3	Si(NInSi)(CH3)3	N(InN[6]NN)(SiC3)2	Si(NInSi)(CH3)3	Si(NInSi)(CH3)3	120.3040	0.000	1	120.3040	0.000	1	120.3040	0.000	1	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	In[4]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(In[4]Cl[4]2N)(SiC3)2	Si(NIn[4]Si)(CH3)3	Si(NIn[4]Si)(CH3)3	N(In[4]Cl[4]2N)(SiC3)2	Si(NIn[4]Si)(CH3)3	Si(NIn[4]Si)(CH3)3	120.2650	0.000	2	120.2650	0.000	2	120.2650	0.000	2	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	P[5]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(P[5]C[5]2N)(SiC3)2	Si(NP[5]Si)(CH3)3	Si(NP[5]Si)(CH3)3	N(P[5]C[5]2N)(SiC3)2	Si(NP[5]Si)(CH3)3	Si(NP[5]Si)(CH3)3	117.6710	0.000	1	117.6710	0.000	1	117.6710	0.000	1	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Si-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(SiC[6a]FN)(SiC3)2	Si(NSi2)(CH3)3	Si(NSi2)(CH3)3	N(SiC[6a]FN)(SiC3)2	Si(NSi2)(CH3)3	Si(NSi2)(CH3)3	115.9680	1.896	2	115.9680	3.597	2	117.3688	4.642	4	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Si-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(SiFe3)(SiC3)2	Si(NSi2)(CH3)3	Si(NSi2)(CH3)3	N(SiFe3)(SiC3)2	Si(NSi2)(CH3)3	Si(NSi2)(CH3)3	117.6560	0.000	1	117.6560	0.000	1	117.3688	4.642	4	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Si-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(SiHHO)(SiC3)2	Si(NSi2)(CH3)3	Si(NSi2)(CH3)3	N(SiHHO)(SiC3)2	Si(NSi2)(CH3)3	Si(NSi2)(CH3)3	119.8830	0.000	1	119.8830	0.000	1	117.3688	4.642	4	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Si[3,4,6]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Si[3,4,6]C[3,4,5]C[3,5,6]Si[4,6])(SiC3)2	Si(NSi[3,4,6]Si)(CH3)3	Si(NSi[3,4,6]Si)(CH3)3	N(Si[3,4,6]C[3,4,5]C[3,5,6]Si[4,6])(SiC3)2	Si(NSi[3,4,6]Si)(CH3)3	Si(NSi[3,4,6]Si)(CH3)3	121.7590	0.000	1	121.7590	0.000	1	121.7590	0.000	1	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Si[4,6]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Si[4,6]Si[3,4,6]C[4,5,6]Cl)(SiC3)2	Si(NSi[4,6]Si)(CH3)3	Si(NSi[4,6]Si)(CH3)3	N(Si[4,6]Si[3,4,6]C[4,5,6]Cl)(SiC3)2	Si(NSi[4,6]Si)(CH3)3	Si(NSi[4,6]Si)(CH3)3	120.3240	0.000	1	120.3240	0.000	1	120.3240	0.000	1	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Si[4]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Si[4]N[4]2Ag)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si(NSi[4]Si)(CH3)3	N(Si[4]N[4]2Ag)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si(NSi[4]Si)(CH3)3	119.1560	0.000	1	119.1560	0.000	1	118.5812	2.563	14	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Si[4]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Si[4]N[4]2Cl)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si(NSi[4]Si)(CH3)3	N(Si[4]N[4]2Cl)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si(NSi[4]Si)(CH3)3	118.2780	0.000	1	118.2780	0.000	1	118.5812	2.563	14	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Si[4]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Si[4]N[4]2Co)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si(NSi[4]Si)(CH3)3	N(Si[4]N[4]2Co)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si(NSi[4]Si)(CH3)3	117.8940	0.000	1	117.8940	0.000	1	118.5812	2.563	14	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Si[4]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Si[4]N[4]2Cu)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si(NSi[4]Si)(CH3)3	N(Si[4]N[4]2Cu)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si(NSi[4]Si)(CH3)3	119.4456	0.855	7	119.4456	0.731	7	118.5812	2.563	14	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Si[4]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Si[4]N[4]2O)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si(NSi[4]Si)(CH3)3	N(Si[4]N[4]2O)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si(NSi[4]Si)(CH3)3	120.4770	0.000	1	120.4770	0.000	1	118.5812	2.563	14	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Si[4]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Si[4]N[4]2Se)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si(NSi[4]Si)(CH3)3	N(Si[4]N[4]2Se)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si(NSi[4]Si)(CH3)3	116.2990	0.011	2	116.2990	0.000	2	118.5812	2.563	14	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Si[4]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Si[4]N[4]2Zn)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si(NSi[4]Si)(CH3)3	N(Si[4]N[4]2Zn)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si(NSi[4]Si)(CH3)3	115.6150	0.000	1	115.6150	0.000	1	118.5812	2.563	14	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Si[5]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Si[5]C[5]N[5]N)(SiC3)2	Si(NSi[5]Si)(CH3)3	Si(NSi[5]Si)(CH3)3	N(Si[5]C[5]N[5]N)(SiC3)2	Si(NSi[5]Si)(CH3)3	Si(NSi[5]Si)(CH3)3	115.1670	0.000	1	115.1670	0.000	1	115.1670	0.000	1	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Si[6]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Si[6]Si[6]2C)(SiC3)2	Si(NSi[6]Si)(CH3)3	Si(NSi[6]Si)(CH3)3	N(Si[6]Si[6]2C)(SiC3)2	Si(NSi[6]Si)(CH3)3	Si(NSi[6]Si)(CH3)3	119.7570	0.000	1	119.7570	0.000	1	119.7570	0.000	1	120.5503	10.555	91	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	5:4:4:	3:4:4:4:	3:4:4:4:	Ge-5:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(GePdNSS)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	N(GePdNSS)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	119.7720	0.000	1	119.7720	0.000	1	119.7720	0.000	1	119.0306	2.445	5	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	5:4:4:	3:4:4:4:	3:4:4:4:	P-5:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(PCl2TaN)(SiC3)2	Si(NSiP)(CH3)3	Si(NSiP)(CH3)3	N(PCl2TaN)(SiC3)2	Si(NSiP)(CH3)3	Si(NSiP)(CH3)3	119.7460	0.000	1	119.7460	0.000	1	119.0490	0.972	2	119.0306	2.445	5	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	5:4:4:	3:4:4:4:	3:4:4:4:	P-5:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(PMoNNO)(SiC3)2	Si(NSiP)(CH3)3	Si(NSiP)(CH3)3	N(PMoNNO)(SiC3)2	Si(NSiP)(CH3)3	Si(NSiP)(CH3)3	118.3520	0.000	1	118.3520	0.000	1	119.0490	0.972	2	119.0306	2.445	5	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	5:4:4:	3:4:4:4:	3:4:4:4:	Si-5:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(SiC[5]2FeH)(SiC3)2	Si(NSi2)(CH3)3	Si(NSi2)(CH3)3	N(SiC[5]2FeH)(SiC3)2	Si(NSi2)(CH3)3	Si(NSi2)(CH3)3	120.6360	0.000	1	120.6360	0.000	1	120.6360	0.000	1	119.0306	2.445	5	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP2_SP3_SP3	N	Si	Si	5:4:4:	3:4:4:4:	3:4:4:4:	Si[3,3]-5:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Si[3,3]Si[3,3]C[5]O[3]2)(SiC3)2	Si(NSi[3,3]Si)(CH3)3	Si(NSi[3,3]Si)(CH3)3	N(Si[3,3]Si[3,3]C[5]O[3]2)(SiC3)2	Si(NSi[3,3]Si)(CH3)3	Si(NSi[3,3]Si)(CH3)3	116.6470	0.000	1	116.6470	0.000	1	116.6470	0.000	1	119.0306	2.445	5	122.8088	21.312	224	122.8088	21.312	224
956	880	880	0:SP3_SP3_SP3	N	Si	Si	3:4:4:	3:4:4:4:	3:4:4:4:	As-3:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(AsClN)(SiC3)2	Si(NAsSi)(CH3)3	Si(NAsSi)(CH3)3	N(AsClN)(SiC3)2	Si(NAsSi)(CH3)3	Si(NAsSi)(CH3)3	119.9120	0.000	1	119.9120	0.000	1	119.9120	0.000	1	121.5454	9.651	8	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	3:4:4:	3:4:4:4:	3:4:4:4:	As[4]-3:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(As[4]N[4]2)(SiC3)2	Si(NAs[4]Si)(CH3)3	Si(NAs[4]Si)(CH3)3	N(As[4]N[4]2)(SiC3)2	Si(NAs[4]Si)(CH3)3	Si(NAs[4]Si)(CH3)3	121.9390	0.000	1	121.9390	0.000	1	121.9390	0.000	1	121.5454	9.651	8	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	3:4:4:	3:4:4:4:	3:4:4:4:	N[4]-3:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(N[4]P[4]2)(SiC3)2	Si(NN[4]Si)(CH3)3	Si(NN[4]Si)(CH3)3	N(N[4]P[4]2)(SiC3)2	Si(NN[4]Si)(CH3)3	Si(NN[4]Si)(CH3)3	128.9260	0.000	1	128.9260	0.000	1	128.9260	0.000	1	121.5454	9.651	8	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	3:4:4:	3:4:4:4:	3:4:4:4:	P-3:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(PC[3x3,4,3x5,14x6]H)(SiC3)2	Si(NSiP)(CH3)3	Si(NSiP)(CH3)3	N(PC[3x3,4,3x5,14x6]H)(SiC3)2	Si(NSiP)(CH3)3	Si(NSiP)(CH3)3	119.5220	0.000	1	119.5220	0.000	1	119.4670	0.006	2	121.5454	9.651	8	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	3:4:4:	3:4:4:4:	3:4:4:4:	P-3:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(PN[6]Cl)(SiC3)2	Si(NSiP)(CH3)3	Si(NSiP)(CH3)3	N(PN[6]Cl)(SiC3)2	Si(NSiP)(CH3)3	Si(NSiP)(CH3)3	119.4120	0.000	1	119.4120	0.000	1	119.4670	0.006	2	121.5454	9.651	8	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	3:4:4:	3:4:4:4:	3:4:4:4:	P[4]-3:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(P[4]N[4]2)(SiC3)2	Si(NP[4]Si)(CH3)3	Si(NP[4]Si)(CH3)3	N(P[4]N[4]2)(SiC3)2	Si(NP[4]Si)(CH3)3	Si(NP[4]Si)(CH3)3	121.1880	0.000	1	121.1880	0.000	1	121.1880	0.000	1	121.5454	9.651	8	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	3:4:4:	3:4:4:4:	3:4:4:4:	P[6]-3:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(P[6]C[5,6]2)(SiC3)2	Si(NP[6]Si)(CH3)3	Si(NP[6]Si)(CH3)3	N(P[6]C[5,6]2)(SiC3)2	Si(NP[6]Si)(CH3)3	Si(NP[6]Si)(CH3)3	120.7320	0.407	2	120.7320	0.166	2	120.7320	0.166	2	121.5454	9.651	8	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:2:	3:4:4:4:	3:4:4:4:	Si-4:Si-4:Ge-2:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(SiC3)2(GeC)	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	N(SiC3)2(GeC)	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	121.8870	0.000	1	121.8870	0.000	1	120.0104	1.196	5	120.3850	1.799	6	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:2:	3:4:4:4:	3:4:4:4:	Si-4:Si-4:Ge-2:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(SiC3)2(GeO)	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	N(SiC3)2(GeO)	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	119.5413	0.357	4	119.5413	0.127	4	120.0104	1.196	5	120.3850	1.799	6	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:2:	3:4:4:4:	3:4:4:4:	Si-4:Si-4:P-2:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(SiC3)2(PN)	Si(NSiP)(CH3)3	Si(NSiP)(CH3)3	N(SiC3)2(PN)	Si(NSiP)(CH3)3	Si(NSiP)(CH3)3	122.2580	0.000	1	122.2580	0.000	1	122.2580	0.000	1	120.3850	1.799	6	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:3:	3:3:2:1:	3:2:2:1:	Si-4:Si-4:N-3:	N-3:N-3:N-2:H-1:	N-3:N-2:N-2:H-1:	N(SiHNN)2(NCC)	Si(NSiN)(NHN)(NN)(H)	Si(NSiN)(NN)2(H)	N(SiHNN)2(NCC)	Si(NSiN)(NHN)(NN)(H)	Si(NSiN)(NN)2(H)	128.9200	0.000	1	128.9200	0.000	1	128.9200	0.000	1	128.9200	0.000	1	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:3:	3:3:3:1:	3:2:2:1:	Si-4:Si-4:N-3:	N-3:N-3:N-3:H-1:	N-3:N-2:N-2:H-1:	N(SiHNN)2(NCC)	Si(NSiN)(NHN)2(H)	Si(NSiN)(NN)2(H)	N(SiHNN)2(NCC)	Si(NSiN)(NHN)2(H)	Si(NSiN)(NN)2(H)	129.3630	0.000	1	129.3630	0.000	1	129.3630	0.000	1	129.3630	0.000	1	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:3:	3:4:4:4:	3:4:4:4:	Si-4:Si-4:N-3:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(SiC3)2(NSiP)	Si(NSiN)(CH3)3	Si(NSiN)(CH3)3	N(SiC3)2(NSiP)	Si(NSiN)(CH3)3	Si(NSiN)(CH3)3	127.2857	0.966	3	127.2857	0.934	3	127.2857	0.934	3	127.2857	0.934	3	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:3:1:1:	3:3:1:1:	Si-4:Si-4:Si-4:	C[6a]-3:N-3:H-1:H-1:	C[6a]-3:N-3:H-1:H-1:	N(SiC[6a]HH)3	Si(C[6a]C[6a]2)(NSi2)(H)2	Si(C[6a]C[6a]2)(NSi2)(H)2	N(SiC[6a]HH)3	Si(C[6a]C[6a]2)(NSi2)(H)2	Si(C[6a]C[6a]2)(NSi2)(H)2	119.7740	0.210	3	119.7740	0.044	3	119.7740	0.044	3	119.7740	0.044	3	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:3:3:3:	3:4:4:4:	Si-4:C-4:Si-4:	C[6a]-3:N-3:N-3:N-3:	N-3:C-4:C-4:C-4:	N(SiC[6a]NN)(CCHH)(SiC3)	Si(C[6a]C[6a]2)(NSiC)3	Si(NSiC)(CH3)3	N(SiC[6a]NN)(CCHH)(SiC3)	Si(C[6a]C[6a]2)(NSiC)3	Si(NSiC)(CH3)3	129.4790	1.553	2	129.4790	2.411	2	129.4790	2.411	2	129.4790	2.411	2	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	B-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(BC[5]Cl2)(SiC3)2	Si(NSiB)(CH3)3	Si(NSiB)(CH3)3	N(BC[5]Cl2)(SiC3)2	Si(NSiB)(CH3)3	Si(NSiB)(CH3)3	113.9540	0.000	1	113.9540	0.000	1	118.1630	35.431	2	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	B-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(BC[5]CrC)(SiC3)2	Si(NSiB)(CH3)3	Si(NSiB)(CH3)3	N(BC[5]CrC)(SiC3)2	Si(NSiB)(CH3)3	Si(NSiB)(CH3)3	122.3720	0.000	1	122.3720	0.000	1	118.1630	35.431	2	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	B[3a]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(B[3a]C[3a]2C[5])(SiC3)2	Si(NB[3a]Si)(CH3)3	Si(NB[3a]Si)(CH3)3	N(B[3a]C[3a]2C[5])(SiC3)2	Si(NB[3a]Si)(CH3)3	Si(NB[3a]Si)(CH3)3	119.4445	1.619	2	119.4445	2.620	2	119.4445	2.620	2	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	C-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(CAlNN)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	N(CAlNN)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	124.9570	0.000	1	124.9570	0.000	1	123.4866	1.745	28	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	C-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(CCeNN)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	N(CCeNN)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	123.7315	0.728	2	123.7315	0.529	2	123.4866	1.745	28	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	C-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(CErNN)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	N(CErNN)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	123.5878	1.480	6	123.5878	2.190	6	123.4866	1.745	28	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	C-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(CIrNN)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	N(CIrNN)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	121.7850	0.000	1	121.7850	0.000	1	123.4866	1.745	28	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	C-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(CLuNN)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	N(CLuNN)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	122.2560	0.000	1	122.2560	0.000	1	123.4866	1.745	28	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	C-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(CNNY)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	N(CNNY)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	124.5456	0.792	5	124.5456	0.627	5	123.4866	1.745	28	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	C-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(CSnNN)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	N(CSnNN)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	123.6177	1.234	3	123.6177	1.523	3	123.4866	1.745	28	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	C-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(CTiNN)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	N(CTiNN)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	122.8860	0.000	1	122.8860	0.000	1	123.4866	1.745	28	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	C-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(CYbNN)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	N(CYbNN)(SiC3)2	Si(NSiC)(CH3)3	Si(NSiC)(CH3)3	122.8963	1.441	8	122.8963	2.076	8	123.4866	1.745	28	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ga-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(GaC[5]Cl2)(SiC3)2	Si(NGaSi)(CH3)3	Si(NGaSi)(CH3)3	N(GaC[5]Cl2)(SiC3)2	Si(NGaSi)(CH3)3	Si(NGaSi)(CH3)3	121.4600	0.000	1	121.4600	0.000	1	122.3070	1.435	2	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ga-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(GaO[5]ClC)(SiC3)2	Si(NGaSi)(CH3)3	Si(NGaSi)(CH3)3	N(GaO[5]ClC)(SiC3)2	Si(NGaSi)(CH3)3	Si(NGaSi)(CH3)3	123.1540	0.000	1	123.1540	0.000	1	122.3070	1.435	2	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ga[4]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Ga[4]C[5]N[4]2)(SiC3)2	Si(NGa[4]Si)(CH3)3	Si(NGa[4]Si)(CH3)3	N(Ga[4]C[5]N[4]2)(SiC3)2	Si(NGa[4]Si)(CH3)3	Si(NGa[4]Si)(CH3)3	118.6010	0.000	1	118.6010	0.000	1	121.9877	8.623	3	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ga[4]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Ga[4]N[4]2C)(SiC3)2	Si(NGa[4]Si)(CH3)3	Si(NGa[4]Si)(CH3)3	N(Ga[4]N[4]2C)(SiC3)2	Si(NGa[4]Si)(CH3)3	Si(NGa[4]Si)(CH3)3	123.8240	0.000	1	123.8240	0.000	1	121.9877	8.623	3	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ga[4]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Ga[4]N[4]2H)(SiC3)2	Si(NGa[4]Si)(CH3)3	Si(NGa[4]Si)(CH3)3	N(Ga[4]N[4]2H)(SiC3)2	Si(NGa[4]Si)(CH3)3	Si(NGa[4]Si)(CH3)3	123.5380	0.000	1	123.5380	0.000	1	121.9877	8.623	3	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ga[5]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Ga[5]C[5]N[5]2)(SiC3)2	Si(NGa[5]Si)(CH3)3	Si(NGa[5]Si)(CH3)3	N(Ga[5]C[5]N[5]2)(SiC3)2	Si(NGa[5]Si)(CH3)3	Si(NGa[5]Si)(CH3)3	116.5520	0.000	1	116.5520	0.000	1	116.5520	0.000	1	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ge-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(GeClIrO)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	N(GeClIrO)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	123.8160	0.000	1	123.8160	0.000	1	119.0583	3.896	16	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ge-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(GeClNP)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	N(GeClNP)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	117.0495	1.033	2	117.0495	1.067	2	119.0583	3.896	16	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ge-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(GeNOS)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	N(GeNOS)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	119.9153	1.324	3	119.9153	1.752	3	119.0583	3.896	16	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ge-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(GePdNS)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	N(GePdNS)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	119.4125	1.449	2	119.4125	2.099	2	119.0583	3.896	16	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ge-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(GeRu2N)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	N(GeRu2N)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	117.7747	0.756	4	117.7747	0.571	4	119.0583	3.896	16	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ge-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(GeSe2N)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	N(GeSe2N)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	119.9223	1.714	3	119.9223	2.939	3	119.0583	3.896	16	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ge-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(GeTe2N)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	N(GeTe2N)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	117.5800	0.000	1	117.5800	0.000	1	119.0583	3.896	16	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ge[4]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Ge[4]N[4]2Fe)(SiC3)2	Si(NGe[4]Si)(CH3)3	Si(NGe[4]Si)(CH3)3	N(Ge[4]N[4]2Fe)(SiC3)2	Si(NGe[4]Si)(CH3)3	Si(NGe[4]Si)(CH3)3	115.8130	0.000	1	115.8130	0.000	1	115.8130	0.000	1	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Ge[5,5]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Ge[5,5]P[3x5,6]2N)(SiC3)2	Si(NGe[5,5]Si)(CH3)3	Si(NGe[5,5]Si)(CH3)3	N(Ge[5,5]P[3x5,6]2N)(SiC3)2	Si(NGe[5,5]Si)(CH3)3	Si(NGe[5,5]Si)(CH3)3	114.3370	0.000	1	114.3370	0.000	1	114.3370	0.000	1	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	In[4]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(In[4]Cl[4]2N)(SiC3)2	Si(NIn[4]Si)(CH3)3	Si(NIn[4]Si)(CH3)3	N(In[4]Cl[4]2N)(SiC3)2	Si(NIn[4]Si)(CH3)3	Si(NIn[4]Si)(CH3)3	121.9367	0.949	6	121.9367	0.900	6	121.9367	0.900	6	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	P-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(PNOS)(SiC3)2	Si(NSiP)(CH3)3	Si(NSiP)(CH3)3	N(PNOS)(SiC3)2	Si(NSiP)(CH3)3	Si(NSiP)(CH3)3	119.0050	0.989	2	119.0050	0.977	2	119.0050	0.977	2	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	P[5,5]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(P[5,5]C[5,5,6]2N)(SiC3)2	Si(NP[5,5]Si)(CH3)3	Si(NP[5,5]Si)(CH3)3	N(P[5,5]C[5,5,6]2N)(SiC3)2	Si(NP[5,5]Si)(CH3)3	Si(NP[5,5]Si)(CH3)3	118.0930	0.000	1	118.0930	0.000	1	118.0930	0.000	1	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	P[5]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(P[5]C[5]2Cl)(SiC3)2	Si(NP[5]Si)(CH3)3	Si(NP[5]Si)(CH3)3	N(P[5]C[5]2Cl)(SiC3)2	Si(NP[5]Si)(CH3)3	Si(NP[5]Si)(CH3)3	118.3250	0.000	1	118.3250	0.000	1	118.3250	0.000	1	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Si-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(SiFe2H)(SiC3)2	Si(NSi2)(CH3)3	Si(NSi2)(CH3)3	N(SiFe2H)(SiC3)2	Si(NSi2)(CH3)3	Si(NSi2)(CH3)3	120.1070	0.000	1	120.1070	0.000	1	120.1070	0.000	1	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Si[4]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Si[4]N[4]2Ag)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si(NSi[4]Si)(CH3)3	N(Si[4]N[4]2Ag)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si(NSi[4]Si)(CH3)3	120.9080	0.000	1	120.9080	0.000	1	118.9137	2.908	7	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Si[4]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Si[4]N[4]2Cl)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si(NSi[4]Si)(CH3)3	N(Si[4]N[4]2Cl)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si(NSi[4]Si)(CH3)3	117.8910	0.000	1	117.8910	0.000	1	118.9137	2.908	7	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Si[4]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Si[4]N[4]2Cu)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si(NSi[4]Si)(CH3)3	N(Si[4]N[4]2Cu)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si(NSi[4]Si)(CH3)3	120.0900	0.000	1	120.0900	0.000	1	118.9137	2.908	7	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Si[4]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Si[4]N[4]2O)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si(NSi[4]Si)(CH3)3	N(Si[4]N[4]2O)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si(NSi[4]Si)(CH3)3	120.6070	0.000	1	120.6070	0.000	1	118.9137	2.908	7	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Si[4]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Si[4]N[4]2S)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si(NSi[4]Si)(CH3)3	N(Si[4]N[4]2S)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si(NSi[4]Si)(CH3)3	119.1020	0.000	1	119.1020	0.000	1	118.9137	2.908	7	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Si[4]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Si[4]N[4]2Se)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si(NSi[4]Si)(CH3)3	N(Si[4]N[4]2Se)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si(NSi[4]Si)(CH3)3	116.8990	0.134	2	116.8990	0.018	2	118.9137	2.908	7	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	4:4:4:	3:4:4:4:	3:4:4:4:	Si[5]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Si[5]O[5]2H)(SiC3)2	Si(NSi[5]Si)(CH3)3	Si(NSi[5]Si)(CH3)3	N(Si[5]O[5]2H)(SiC3)2	Si(NSi[5]Si)(CH3)3	Si(NSi[5]Si)(CH3)3	121.2060	0.000	1	121.2060	0.000	1	121.2060	0.000	1	120.9974	8.070	75	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	5:4:4:	3:4:4:4:	3:4:4:4:	Ge-5:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(GePdNSS)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	N(GePdNSS)(SiC3)2	Si(NGeSi)(CH3)3	Si(NGeSi)(CH3)3	120.2170	0.000	1	120.2170	0.000	1	120.2170	0.000	1	118.1098	4.737	8	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	5:4:4:	3:4:4:4:	3:4:4:4:	Ge[4]-5:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Ge[4]N[4]2FF)(SiC3)2	Si(NGe[4]Si)(CH3)3	Si(NGe[4]Si)(CH3)3	N(Ge[4]N[4]2FF)(SiC3)2	Si(NGe[4]Si)(CH3)3	Si(NGe[4]Si)(CH3)3	120.1690	0.000	1	120.1690	0.000	1	120.1690	0.000	1	118.1098	4.737	8	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	5:4:4:	3:4:4:4:	3:4:4:4:	In-5:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(InSnNOO)(SiC3)2	Si(NInSi)(CH3)3	Si(NInSi)(CH3)3	N(InSnNOO)(SiC3)2	Si(NInSi)(CH3)3	Si(NInSi)(CH3)3	119.2490	1.148	2	119.2490	1.319	2	119.2490	1.319	2	118.1098	4.737	8	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	5:4:4:	3:4:4:4:	3:4:4:4:	P-5:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(PMo2NO)(SiC3)2	Si(NSiP)(CH3)3	Si(NSiP)(CH3)3	N(PMo2NO)(SiC3)2	Si(NSiP)(CH3)3	Si(NSiP)(CH3)3	119.0070	0.000	1	119.0070	0.000	1	119.0070	0.000	1	118.1098	4.737	8	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	5:4:4:	3:4:4:4:	3:4:4:4:	Si[3,3]-5:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Si[3,3]Si[3,3]C[5]O[3]2)(SiC3)2	Si(NSi[3,3]Si)(CH3)3	Si(NSi[3,3]Si)(CH3)3	N(Si[3,3]Si[3,3]C[5]O[3]2)(SiC3)2	Si(NSi[3,3]Si)(CH3)3	Si(NSi[3,3]Si)(CH3)3	116.5660	0.000	1	116.5660	0.000	1	116.5660	0.000	1	118.1098	4.737	8	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	5:4:4:	3:4:4:4:	3:4:4:4:	Si[4,5]-5:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Si[4,5]N[4]2O[5]2)(SiC3)2	Si(NSi[4,5]Si)(CH3)3	Si(NSi[4,5]Si)(CH3)3	N(Si[4,5]N[4]2O[5]2)(SiC3)2	Si(NSi[4,5]Si)(CH3)3	Si(NSi[4,5]Si)(CH3)3	114.6810	0.000	1	114.6810	0.000	1	114.6810	0.000	1	118.1098	4.737	8	121.2409	11.094	107	121.2409	11.094	107
956	880	880	0:SP3_SP3_SP3	N	Si	Si	5:4:4:	3:4:4:4:	3:4:4:4:	Si[4]-5:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:C-4:	N(Si[4]N[4]2FO)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si(NSi[4]Si)(CH3)3	N(Si[4]N[4]2FO)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si(NSi[4]Si)(CH3)3	115.7400	0.000	1	115.7400	0.000	1	115.7400	0.000	1	118.1098	4.737	8	121.2409	11.094	107	121.2409	11.094	107
956	880	881	0:SP2_SP3_SPD5	N	Si	Si[3,3]	5:4:4:	3:4:4:4:	5:2:2:4:3:	Si[3,3]-5:Si-4:Si-4:	N-3:C-4:C-4:C-4:	Si[3,3]-5:O[3]-2:O[3]-2:C[5]-4:N-3:	N(Si[3,3]Si[3,3]C[5]O[3]2)(SiC3)2	Si(NSi[3,3]Si)(CH3)3	Si[3,3](Si[3,3]C[5]O[3]2N)(O[3]Si[3,3])2(C[5]C[5]2C)(NSi2)	N(Si[3,3]Si[3,3]C[5]O[3]2)(SiC3)2	Si(NSi[3,3]Si)(CH3)3	Si[3,3](Si[3,3]C[5]O[3]2N)(O[3]Si[3,3])2(C[5]C[5]2C)(NSi2){3|C<4>,4|C<3>}	121.6465	3.285	2	121.6465	10.788	2	121.6465	10.788	2	121.6465	10.788	2	121.6465	10.788	2	121.6465	10.788	2
956	880	881	0:SP3_SP3_SPD5	N	Si	Si[3,3]	5:4:4:	3:4:4:4:	5:2:2:4:3:	Si[3,3]-5:Si-4:Si-4:	N-3:C-4:C-4:C-4:	Si[3,3]-5:O[3]-2:O[3]-2:C[5]-4:N-3:	N(Si[3,3]Si[3,3]C[5]O[3]2)(SiC3)2	Si(NSi[3,3]Si)(CH3)3	Si[3,3](Si[3,3]C[5]O[3]2N)(O[3]Si[3,3])2(C[5]C[5]2C)(NSi2)	N(Si[3,3]Si[3,3]C[5]O[3]2)(SiC3)2	Si(NSi[3,3]Si)(CH3)3	Si[3,3](Si[3,3]C[5]O[3]2N)(O[3]Si[3,3])2(C[5]C[5]2C)(NSi2){3|C<4>,4|C<3>}	121.6850	0.123	2	121.6850	0.015	2	121.6850	0.015	2	121.6850	0.015	2	121.6850	0.015	2	121.6850	0.015	2
956	880	882	0:SP3_SP3_SP3	N	Si	P[4]	3:4:4:	3:4:4:4:	3:3:3:	P[4]-3:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N[4]-3:N[4]-3:N-3:	N(P[4]N[4]2)(SiC3)2	Si(NP[4]Si)(CH3)3	P[4](N[4]P[4]Si)2(NSi2)	N(P[4]N[4]2)(SiC3)2	Si(NP[4]Si)(CH3)3	P[4](N[4]P[4]Si)2(NSi2){1|N<3>}	119.4000	15.668	2	119.4000	245.488	2	119.4000	245.488	2	119.4000	245.488	2	116.3088	94.599	4	116.3088	94.599	4
956	880	882	0:SP3_SP3_SP3	N	Si	P[4]	4:3:4:	3:4:4:4:	3:3:3:	C[5]-4:P[4]-3:Si-4:	N-3:C-4:C-4:C-4:	P[4]-3:P[4]-3:N-3:	N(C[5]C[5]2Fe)(P[4]P[4]2)(SiC3)	Si(NC[5]P[4])(CC3)(CH3)2	P[4](P[4]P[4]N)2(NC[5]Si)	N(C[5]C[5]2Fe)(P[4]P[4]2)(SiC3)	Si(NC[5]P[4])(CC3)(CH3)2	P[4](P[4]P[4]N)2(NC[5]Si){1|N<3>}	113.2175	0.292	2	113.2175	0.085	2	113.2175	0.085	2	113.2175	0.085	2	116.3088	94.599	4	116.3088	94.599	4
956	880	885	0:SP2_SP-NON_SP3	N	Si	Ga[5]	4:4:4:	3:4:4:4:	3:3:3:4:	Ga[5]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N[5]-3:N[5]-3:N-3:C-4:	N(Ga[5]N[5]2C)(SiC3)2	Si(NGa[5]Si)(CH3)3	Ga[5](N[5]C[5]C)2(NSi2)(CH3)	N(Ga[5]N[5]2C)(SiC3)2	Si(NGa[5]Si)(CH3)3	Ga[5](N[5]C[5]C)2(NSi2)(CH3){1|Ga<4>,1|H<1>}	118.8140	2.038	2	118.8140	4.153	2	118.8140	4.153	2	118.8140	4.153	2	118.8140	4.153	2	118.8140	4.153	2
956	880	885	0:SP3_SP-NON_SP3	N	Si	Ga[5]	4:4:4:	3:4:4:4:	3:3:3:3:	Ga[5]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	C[5]-3:N[5]-3:N[5]-3:N-3:	N(Ga[5]C[5]N[5]2)(SiC3)2	Si(NGa[5]Si)(CH3)3	Ga[5](C[5]C[5]N[5])(N[5]C[5]C)2(NSi2)	N(Ga[5]C[5]N[5]2)(SiC3)2	Si(NGa[5]Si)(CH3)3	Ga[5](C[5]C[5]N[5])(N[5]C[5]C)2(NSi2){1|Ga<4>,1|C<4>,1|N<3>,3|H<1>}	121.6635	2.842	2	121.6635	8.076	2	121.6635	8.076	2	121.6635	8.076	2	121.6635	8.076	2	121.6635	8.076	2
956	880	887	0:SP3_SP3_SP3	N	Si	S	4:3:1:	4:4:4:3:	4:3:2:	Si-4:S-3:H-1:	C-4:C-4:C-4:N-3:	C-4:N-3:N-2:	N(SiC3)(SCN)(H)	Si(CH3)3(NHS)	S(CHHP)(NSiH)(NSi)	N(SiC3)(SCN)(H)	Si(CH3)3(NHS)	S(CHHP)(NSiH)(NSi)	123.1780	0.000	1	123.1780	0.000	1	123.1780	0.000	1	123.1780	0.000	1	123.1780	0.000	1	123.1780	0.000	1
956	880	907	0:SP2_SP3_SP3	N	Si	Ge[4,4]	4:3:4:	3:4:4:4:	4:3:2:3:	Ge[4,4]-4:C[6a]-3:Si-4:	N-3:C-4:C-4:C-4:	Ge[4,4]-4:Ge[4]-3:Ge[4]-2:N-3:	N(Ge[4,4]Ge[4,4]Ge[4]2)(C[6a]C[6a]2)(SiC3)	Si(NGe[4,4]C[6a])(CH3)3	Ge[4,4](Ge[4,4]Ge[4]2N)(Ge[4]Ge[4]N)(Ge[4]Ge[4])(NC[6a]Si)	N(Ge[4,4]Ge[4,4]Ge[4]2)(C[6a]C[6a]2)(SiC3)	Si(NGe[4,4]C[6a])(CH3)3	Ge[4,4](Ge[4,4]Ge[4]2N)(Ge[4]Ge[4]N)(Ge[4]Ge[4])(NC[6a]Si){1|N<3>}	124.1430	0.000	1	124.1430	0.000	1	124.1430	0.000	1	124.1430	0.000	1	121.5854	5.523	5	119.6740	13.910	13
956	880	907	0:SP2_SP3_SP3	N	Si	Ge[4,4]	4:3:4:	3:4:4:4:	4:3:3:3:	Ge[4,4]-4:C[6a]-3:Si-4:	N-3:C-4:C-4:C-4:	Ge[4,4]-4:C[4]-3:C[4]-3:N-3:	N(Ge[4,4]Ge[4,4]C[4]2)(C[6a]C[6a]2)(SiC3)	Si(NGe[4,4]C[6a])(CH3)3	Ge[4,4](Ge[4,4]C[4]2N)(C[4]C[6a]C[4])2(NC[6a]Si)	N(Ge[4,4]Ge[4,4]C[4]2)(C[6a]C[6a]2)(SiC3)	Si(NGe[4,4]C[6a])(CH3)3	Ge[4,4](Ge[4,4]C[4]2N)(C[4]C[6a]C[4])2(NC[6a]Si){6|C<3>}	119.1130	0.288	2	119.1130	0.083	2	119.1130	0.083	2	119.1130	0.083	2	121.5854	5.523	5	119.6740	13.910	13
956	880	907	0:SP2_SP3_SP3	N	Si	Ge[4,4]	4:3:4:	3:4:4:4:	4:4:4:3:	Ge[4,4]-4:C[6a]-3:Si-4:	N-3:C-4:C-4:C-4:	Ge[4,4]-4:C[4]-4:C[4]-4:N-3:	N(Ge[4,4]Ge[4,4]C[4]2)(C[6a]C[6a]2)(SiC3)	Si(NGe[4,4]C[6a])(CH3)3	Ge[4,4](Ge[4,4]C[4]2N)(C[4]C[4]HH)2(NC[6a]Si)	N(Ge[4,4]Ge[4,4]C[4]2)(C[6a]C[6a]2)(SiC3)	Si(NGe[4,4]C[6a])(CH3)3	Ge[4,4](Ge[4,4]C[4]2N)(C[4]C[4]HH)2(NC[6a]Si){4|H<1>}	122.7790	0.628	2	122.7790	0.394	2	122.7790	0.394	2	122.7790	0.394	2	121.5854	5.523	5	119.6740	13.910	13
956	880	907	0:SP2_SP3_SP3	N	Si	Ge[4]	4:4:4:	3:4:4:4:	3:3:3:1:	Ge[4]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N[4]-3:N[4]-3:N-3:Se-1:	N(Ge[4]N[4]2Se)(SiC3)2	Si(NGe[4]Si)(CH3)3	Ge[4](N[4]C[6a]C[4])2(NSi2)(Se)	N(Ge[4]N[4]2Se)(SiC3)2	Si(NGe[4]Si)(CH3)3	Ge[4](N[4]C[6a]C[4])2(NSi2)(Se){1|N<3>,4|C<3>}	116.9390	0.512	2	116.9390	0.262	2	116.9390	0.262	2	116.9390	0.262	2	118.4794	16.448	8	119.6740	13.910	13
956	880	907	0:SP2_SP3_SP3	N	Si	Ge[4]	4:4:4:	3:4:4:4:	3:3:3:2:	Ge[4]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N[4]-3:N[4]-3:N-3:O-2:	N(Ge[4]N[4]2O)(SiC3)2	Si(NGe[4]Si)(CH3)3	Ge[4](N[4]C[4]C)2(NSi2)(OB)	N(Ge[4]N[4]2O)(SiC3)2	Si(NGe[4]Si)(CH3)3	Ge[4](N[4]C[4]C)2(NSi2)(OB){1|C<3>}	118.2555	4.285	4	118.2555	18.362	4	118.2555	18.362	4	118.2555	18.362	4	118.4794	16.448	8	119.6740	13.910	13
956	880	907	0:SP2_SP3_SP3	N	Si	Ge[4]	4:4:4:	3:4:4:4:	3:3:3:3:	Ge[4]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N[4]-3:N[4]-3:Ge-3:N-3:	N(Ge[4]N[4]2Ge)(SiC3)2	Si(NGe[4]Si)(CH3)3	Ge[4](N[4]C[4]C)2(GeCl2)(NSi2)	N(Ge[4]N[4]2Ge)(SiC3)2	Si(NGe[4]Si)(CH3)3	Ge[4](N[4]C[4]C)2(GeCl2)(NSi2){1|C<3>}	120.4675	6.851	2	120.4675	46.938	2	120.4675	46.938	2	120.4675	46.938	2	118.4794	16.448	8	119.6740	13.910	13
956	880	927	0:SP2_SP2_SP3	N	Si	B[6a]	3:4:1:	3:3:3:3:	3:3:3:	B[6a]-3:Si-4:H-1:	N-3:N-3:N-3:N-3:	N[6a]-3:N[6a]-3:N-3:	N(B[6a]N[6a]2)(SiN3)(H)	Si(NB[6a]H)(NCC)3	B[6a](N[6a]B[6a]H)2(NSiH)	N(B[6a]N[6a]2)(SiN3)(H)	Si(NB[6a]H)(NCC)3	B[6a](N[6a]B[6a]H)2(NSiH){3|N<3>}	133.1170	1.950	2	133.1170	3.803	2	133.1170	3.803	2	133.1170	3.803	2	133.1170	3.803	2	133.1170	3.803	2
956	880	930	0:SP2_SP2_SP3	N	Si	C	3:3:4:	3:3:1:1:	3:3:2:	C[6a]-3:C-3:Si-4:	N-3:N-3:Cl-1:Cl-1:	C[6a]-3:N-3:N-2:	N(C[6a]C[6a]2)(CC[6a]N)(SiCl2N)	Si(NC[6a]C)(NCC)(Cl)2	C(C[6a]C[6a]2)(NC[6a]Si)(NC[6a])	N(C[6a]C[6a]2)(CC[6a]N)(SiCl2N)	Si(NC[6a]C)(NCC)(Cl)2	C(C[6a]C[6a]2)(NC[6a]Si)(NC[6a])	101.2600	0.000	1	101.2600	0.000	1	101.2600	0.000	1	101.2600	0.000	1	116.5029	55.095	35	116.5029	55.095	35
956	880	930	0:SP2_SP2_SP3	N	Si	C	3:3:4:	3:4:4:2:	3:3:1:	C[6a]-3:C-3:Si-4:	N-3:C-4:C-4:O-2:	C[6]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[6]H)(SiCCO)	Si(NC[6a]C)(CC3)2(OC)	C(C[6]C[6]2)(NC[6a]Si)(H)	N(C[6a]C[6a]2)(CC[6]H)(SiCCO)	Si(NC[6a]C)(CC3)2(OC)	C(C[6]C[6]2)(NC[6a]Si)(H)	115.8560	0.000	1	115.8560	0.000	1	115.8560	0.000	1	115.8560	0.000	1	116.5029	55.095	35	116.5029	55.095	35
956	880	930	0:SP2_SP2_SP3	N	Si	C	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:C-3:Si-4:	N-3:C-4:C-4:C-4:	C[5]-3:N-3:H-1:	N(C[6a]C[6a]2)(CC[5]H)(SiC3)	Si(NC[6a]C)(CH3)3	C(C[5]C[5]2)(NC[6a]Si)(H)	N(C[6a]C[6a]2)(CC[5]H)(SiC3)	Si(NC[6a]C)(CH3)3	C(C[5]C[5]2)(NC[6a]Si)(H)	118.3280	0.000	1	118.3280	0.000	1	118.3280	0.000	1	118.3280	0.000	1	116.5029	55.095	35	116.5029	55.095	35
956	880	930	0:SP2_SP2_SP3	N	Si	C	3:3:4:	3:4:4:4:	3:3:3:	C[6a]-3:C-3:Si-4:	N-3:C-4:C-4:C-4:	C[6a]-3:N-3:C-3:	N(C[6a]C[6a]2)(CC[6a]C)(SiC3)	Si(NC[6a]C)(CH3)3	C(C[6a]C[6a]2)(NC[6a]Si)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]C)(SiC3)	Si(NC[6a]C)(CH3)3	C(C[6a]C[6a]2)(NC[6a]Si)(CC[6a]N)	122.3760	0.846	2	122.3760	0.715	2	122.3760	0.715	2	122.3760	0.715	2	116.5029	55.095	35	116.5029	55.095	35
956	880	930	0:SP2_SP2_SP3	N	Si	C	3:4:1:	4:4:4:3:	3:3:1:	C-3:Si-4:H-1:	C-4:C-4:C-4:N-3:	C[6a]-3:N-3:O-1:	N(CC[6a]O)(SiC3)(H)	Si(CH3)3(NCH)	C(C[6a]C[6a]2)(NSiH)(O)	N(CC[6a]O)(SiC3)(H)	Si(CH3)3(NCH)	C(C[6a]C[6a]2)(NSiH)(O)	123.4550	0.116	2	123.4550	0.013	2	123.4550	0.013	2	123.4550	0.013	2	116.5029	55.095	35	116.5029	55.095	35
956	880	930	0:SP2_SP2_SP3	N	Si	C	3:4:1:	4:4:4:3:	3:3:2:	C-3:Si-4:H-1:	C-4:C-4:C-4:N-3:	C[6a]-3:N-3:N-2:	N(CC[6a]N)(SiC3)(H)	Si(CH3)3(NCH)	C(C[6a]C[6a]2)(NSiH)(NSi)	N(CC[6a]N)(SiC3)(H)	Si(CH3)3(NCH)	C(C[6a]C[6a]2)(NSiH)(NSi)	125.6300	0.000	1	125.6300	0.000	1	125.6300	0.000	1	125.6300	0.000	1	116.5029	55.095	35	116.5029	55.095	35
956	880	930	0:SP2_SP2_SP3	N	Si	C	3:4:1:	4:4:4:3:	3:3:3:	C-3:Si-4:H-1:	C-4:C-4:C-4:N-3:	C[5]-3:C[6a]-3:N-3:	N(CC[6a]C[5])(SiC3)(H)	Si(CH3)3(NCH)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(NSiH)	N(CC[6a]C[5])(SiC3)(H)	Si(CH3)3(NCH)	C(C[5]C[5,6a]2)(C[6a]C[6a]2)(NSiH)	130.4280	0.000	1	130.4280	0.000	1	130.4280	0.000	1	130.4280	0.000	1	116.5029	55.095	35	116.5029	55.095	35
956	880	930	0:SP2_SP2_SP3	N	Si	C	3:4:3:	3:1:1:1:	3:3:1:	C[6a]-3:Si-4:C-3:	N-3:Cl-1:Cl-1:Cl-1:	N-3:C-3:H-1:	N(C[6a]C[6a]2)(SiCl3)(CCH)	Si(NC[6a]C)(Cl)3	C(NC[6a]Si)(CHN)(H)	N(C[6a]C[6a]2)(SiCl3)(CCH)	Si(NC[6a]C)(Cl)3	C(NC[6a]Si)(CHN)(H)	120.0430	0.000	1	120.0430	0.000	1	120.0430	0.000	1	120.0430	0.000	1	116.5029	55.095	35	116.5029	55.095	35
956	880	930	0:SP2_SP2_SP3	N	Si	C	3:4:3:	3:2:2:1:	3:4:3:	C[6a]-3:Si-4:C-3:	N-3:O-2:O-2:H-1:	N-3:C-4:C-3:	N(C[6a]C[6a]2)(SiHOO)(CCC)	Si(NC[6a]C)(OSi)2(H)	C(NC[6a]Si)(CH3)(CCH)	N(C[6a]C[6a]2)(SiHOO)(CCC)	Si(NC[6a]C)(OSi)2(H)	C(NC[6a]Si)(CH3)(CCH)	124.7630	0.000	1	124.7630	0.000	1	124.7630	0.000	1	124.7630	0.000	1	116.5029	55.095	35	116.5029	55.095	35
956	880	930	0:SP2_SP2_SP3	N	Si	C	3:4:3:	3:4:4:4:	3:3:2:	C[6a]-3:Si-4:C-3:	N-3:C-4:C-4:C-4:	N-3:N-3:N-2:	N(C[6a]C[6a]2)(SiC3)(CNN)	Si(NC[6a]C)(CH3)3	C(NC[6a]Si)(NC[6a]H)(NC[6a])	N(C[6a]C[6a]2)(SiC3)(CNN)	Si(NC[6a]C)(CH3)3	C(NC[6a]Si)(NC[6a]H)(NC[6a])	119.2465	1.005	2	119.2465	1.010	2	119.2465	1.010	2	119.2465	1.010	2	116.5029	55.095	35	116.5029	55.095	35
956	880	930	0:SP2_SP2_SP3	N	Si	C	3:4:4:	3:4:4:4:	3:3:2:	C-3:Si-4:Si-4:	N-3:C-4:C-4:C-4:	C[6a]-3:N-3:N-2:	N(CC[6a]N)(SiC3)2	Si(NSiC)(CH3)3	C(C[6a]C[6a]2)(NSi2)(NP)	N(CC[6a]N)(SiC3)2	Si(NSiC)(CH3)3	C(C[6a]C[6a]2)(NSi2)(NP)	117.7255	0.046	2	117.7255	0.002	2	117.7255	0.002	2	117.7255	0.002	2	116.5029	55.095	35	116.5029	55.095	35
956	880	930	0:SP2_SP2_SP3	N	Si	C	3:4:4:	4:4:4:3:	5:3:2:	C-3:C-4:Si-4:	C-4:C-4:C-4:N-3:	C[3x3,4,3x5,14x6]-5:N-3:N-2:	N(CC[3x3,4,3x5,14x6]N)(CCCH)(SiC3)	Si(CH3)3(NCC)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NSiC)(NC)	N(CC[3x3,4,3x5,14x6]N)(CCCH)(SiC3)	Si(CH3)3(NCC)	C(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NSiC)(NC)	124.0390	0.000	1	124.0390	0.000	1	124.0390	0.000	1	124.0390	0.000	1	116.5029	55.095	35	116.5029	55.095	35
956	880	930	0:SP2_SP2_SP3	N	Si	C	4:3:1:	4:4:4:3:	3:4:1:	Si-4:C-3:H-1:	C-4:Si-4:Si-4:N-3:	N-3:C-4:O-1:	N(SiSi2C)(CCO)(H)	Si(CCHO)(SiC3)2(NCH)	C(NSiH)(CH3)(O)	N(SiSi2C)(CCO)(H)	Si(CCHO)(SiC3)2(NCH)	C(NSiH)(CH3)(O)	124.1320	0.000	1	124.1320	0.000	1	124.1320	0.000	1	124.1320	0.000	1	116.5029	55.095	35	116.5029	55.095	35
956	880	930	0:SP2_SP2_SP3	N	Si	C	4:3:4:	3:3:3:1:	3:3:2:	Si-4:C-3:C-4:	C[6a]-3:N-3:N-3:F-1:	C[6a]-3:N-3:N-2:	N(SiC[6a]FN)(CC[6a]N)(CC3)	Si(C[6a]C[6a]2)(NSi2)(NCC)(F)	C(C[6a]C[6a]2)(NSiC)(NC)	N(SiC[6a]FN)(CC[6a]N)(CC3)	Si(C[6a]C[6a]2)(NSi2)(NCC)(F)	C(C[6a]C[6a]2)(NSiC)(NC)	104.1577	8.522	2	104.1577	72.633	2	104.1577	72.633	2	104.1577	72.633	2	116.5029	55.095	35	116.5029	55.095	35
956	880	930	0:SP2_SP2_SP3	N	Si	C	4:3:4:	3:4:3:1:	3:3:2:	Si-4:C-3:C-4:	C[6a]-3:Si-4:N-3:F-1:	C[6a]-3:N-3:N-2:	N(SiC[6a]SiF)(CC[6a]N)(CC3)	Si(C[6a]C[6a]2)(SiSi3)(NCC)(F)	C(C[6a]C[6a]2)(NSiC)(NC)	N(SiC[6a]SiF)(CC[6a]N)(CC3)	Si(C[6a]C[6a]2)(SiSi3)(NCC)(F)	C(C[6a]C[6a]2)(NSiC)(NC)	96.9302	0.000	1	96.9302	0.000	1	96.9302	0.000	1	96.9302	0.000	1	116.5029	55.095	35	116.5029	55.095	35
956	880	930	0:SP2_SP2_SP3	N	Si	C	4:3:4:	3:4:3:2:	3:3:2:	Si-4:C-3:C-4:	C[6a]-3:Si-4:N-3:N-2:	C[6a]-3:N-3:N-2:	N(SiC[6a]SiN)(CC[6a]N)(CC3)	Si(C[6a]C[6,6a]C[6a])(SiSiHH)(NCC)(NH)	C(C[6a]C[6a]2)(NSiC)(NC)	N(SiC[6a]SiN)(CC[6a]N)(CC3)	Si(C[6a]C[6,6a]C[6a])(SiSiHH)(NCC)(NH)	C(C[6a]C[6a]2)(NSiC)(NC)	104.9860	0.000	1	104.9860	0.000	1	104.9860	0.000	1	104.9860	0.000	1	116.5029	55.095	35	116.5029	55.095	35
956	880	930	0:SP2_SP2_SP3	N	Si	C	4:3:4:	3:4:3:3:	3:3:2:	Si-4:C-3:C-4:	C[6a]-3:Si-4:N-3:N-3:	C[6a]-3:N-3:N-2:	N(SiC[6a]SiN)(CC[6a]N)(CC3)	Si(C[6a]C[6,6a]C[6a])(SiSiHH)(NCC)(NHH)	C(C[6a]C[6a]2)(NSiC)(NC)	N(SiC[6a]SiN)(CC[6a]N)(CC3)	Si(C[6a]C[6,6a]C[6a])(SiSiHH)(NCC)(NHH)	C(C[6a]C[6a]2)(NSiC)(NC)	114.3960	0.000	1	114.3960	0.000	1	114.3960	0.000	1	114.3960	0.000	1	116.5029	55.095	35	116.5029	55.095	35
956	880	930	0:SP2_SP2_SP3	N	Si	C	4:3:4:	4:3:1:1:	3:3:2:	Si-4:C-3:C-4:	C[5]-4:N-3:Cl-1:Cl-1:	C[6a]-3:N-3:N-2:	N(SiC[5]Cl2)(CC[6a]N)(CC3)	Si(C[5]C[5]N[5]H)(NCC)(Cl)2	C(C[6a]C[6a]2)(NSiC)(NC)	N(SiC[5]Cl2)(CC[6a]N)(CC3)	Si(C[5]C[5]N[5]H)(NCC)(Cl)2	C(C[6a]C[6a]2)(NSiC)(NC)	120.0520	0.000	1	120.0520	0.000	1	120.0520	0.000	1	120.0520	0.000	1	116.5029	55.095	35	116.5029	55.095	35
956	880	930	0:SP2_SP2_SP3	N	Si	C	4:4:3:	3:3:3:1:	3:4:2:	Si-4:C-4:C-3:	C[6a]-3:N-3:N-3:H-1:	N-3:C-4:N-2:	N(SiC[6a]HN)(CCCH)(CCN)	Si(C[6a]C[6a]2)(NTiN)(NCC)(H)	C(NSiC)(CH3)(NC)	N(SiC[6a]HN)(CCCH)(CCN)	Si(C[6a]C[6a]2)(NTiN)(NCC)(H)	C(NSiC)(CH3)(NC)	116.3630	0.000	1	116.3630	0.000	1	116.3630	0.000	1	116.3630	0.000	1	116.5029	55.095	35	116.5029	55.095	35
956	880	930	0:SP2_SP2_SP3	N	Si	C	4:4:3:	3:3:3:3:	4:3:1:	C-4:Si-4:C-3:	N-3:N-3:N-3:N-3:	C-4:N-3:O-1:	N(CCHH)(SiN3)(CCO)	Si(NCC)4	C(CCHH)(NSiC)(O)	N(CCHH)(SiN3)(CCO)	Si(NCC)4	C(CCHH)(NSiC)(O)	114.7890	0.157	4	114.7890	0.024	4	114.7890	0.024	4	114.7890	0.024	4	116.5029	55.095	35	116.5029	55.095	35
956	880	930	0:SP2_SP2_SP3	N	Si	C	4:4:3:	3:4:4:4:	3:2:3:	C[6]-4:Si-4:C-3:	N-3:C-4:C-4:C-4:	N-3:N-2:N-3:	N(C[6]C[6]2H)(SiC3)(CNN)	Si(NC[6]C)(CH3)3	C(NC[6]Si)(NC[6])(NSi2)	N(C[6]C[6]2H)(SiC3)(CNN)	Si(NC[6]C)(CH3)3	C(NC[6]Si)(NC[6])(NSi2)	111.2260	0.000	1	111.2260	0.000	1	111.2260	0.000	1	115.3507	12.909	3	116.5029	55.095	35	116.5029	55.095	35
956	880	930	0:SP2_SP2_SP3	N	Si	C	4:4:3:	3:4:4:4:	3:2:3:	Si-4:Si-4:C-3:	N-3:C-4:C-4:C-4:	N-3:N-2:N-3:	N(SiC3)2(CNN)	Si(NSiC)(CH3)3	C(NC[6]Si)(NC[6])(NSi2)	N(SiC3)2(CNN)	Si(NSiC)(CH3)3	C(NC[6]Si)(NC[6])(NSi2)	117.4130	0.547	2	117.4130	0.300	2	117.4130	0.300	2	115.3507	12.909	3	116.5029	55.095	35	116.5029	55.095	35
956	880	930	0:SP2_SP2_SP3	N	Si	C	4:4:3:	3:4:4:4:	3:3:2:	C[6]-4:Si-4:C-3:	N-3:C-4:C-4:C-4:	N-3:N-3:N-2:	N(C[6]C[6]2H)(SiC3)(CNN)	Si(NC[6]C)(CH3)3	C(NC[6]Al)(NC[6]Si)(NC[6])	N(C[6]C[6]2H)(SiC3)(CNN)	Si(NC[6]C)(CH3)3	C(NC[6]Al)(NC[6]Si)(NC[6])	114.6710	0.000	1	114.6710	0.000	1	114.6710	0.000	1	116.4827	2.465	3	116.5029	55.095	35	116.5029	55.095	35
956	880	930	0:SP2_SP2_SP3	N	Si	C	4:4:3:	3:4:4:4:	3:3:2:	Si-4:Si-4:C-3:	N-3:C-4:C-4:C-4:	N-3:N-3:N-2:	N(SiC3)2(CNN)	Si(NSiC)(CH3)3	C(NSi2)(NSiC)(NC)	N(SiC3)2(CNN)	Si(NSiC)(CH3)3	C(NSi2)(NSiC)(NC)	117.3885	0.080	2	117.3885	0.006	2	117.3885	0.006	2	116.4827	2.465	3	116.5029	55.095	35	116.5029	55.095	35
956	880	930	0:SP2_SP2_SP3	N	Si	C	4:4:3:	4:4:4:3:	3:3:2:	C-4:Si-4:C-3:	C-4:C-4:C-4:N-3:	N-3:N-3:N-2:	N(CCCH)(SiC3)(CNN)	Si(CH3)3(NCC)	C(NSi2)(NSiC)(NC)	N(CCCH)(SiC3)(CNN)	Si(CH3)3(NCC)	C(NSi2)(NSiC)(NC)	111.8170	0.000	1	111.8170	0.000	1	111.8170	0.000	1	111.8170	0.000	1	116.5029	55.095	35	116.5029	55.095	35
956	880	940	0:SP2_SP-NON_SP3	N	Si	P	4:3:2:	4:4:4:3:	3:2:	Si-4:N-3:P-2:	C-4:C-4:C-4:N-3:	N-3:P-2:	N(SiC3)(NSi2)(PP)	Si(CH3)3(NNP)	P(NSiN)(PN)	N(SiC3)(NSi2)(PP)	Si(CH3)3(NNP)	P(NSiN)(PN)	117.2560	0.000	1	117.2560	0.000	1	117.2560	0.000	1	117.2560	0.000	1	117.9498	23.407	5	117.9498	23.407	5
956	880	940	0:SP2_SP-NON_SP3	N	Si	P	4:4:2:	3:4:4:4:	3:2:	Si-4:Si-4:P-2:	N-3:C-4:C-4:C-4:	N-3:N-2:	N(SiC3)2(PN)	Si(NSiP)(CH3)3	P(NSi2)(NC)	N(SiC3)2(PN)	Si(NSiP)(CH3)3	P(NSi2)(NC)	118.5550	7.606	2	118.5550	57.846	2	118.5550	57.846	2	118.1232	31.009	4	117.9498	23.407	5	117.9498	23.407	5
956	880	940	0:SP2_SP-NON_SP3	N	Si	P	4:4:2:	3:4:4:4:	3:2:	Si-4:Si-4:P-2:	N-3:C-4:C-4:C-4:	N-3:O-2:	N(SiC3)2(PO)	Si(NSiP)(CH3)3	P(NSi2)(OSi)	N(SiC3)2(PO)	Si(NSiP)(CH3)3	P(NSi2)(OSi)	117.6915	5.868	2	117.6915	34.437	2	117.6915	34.437	2	118.1232	31.009	4	117.9498	23.407	5	117.9498	23.407	5
956	880	940	0:SP3_SP-NON_SP3	N	Si	P	4:3:2:	4:4:4:3:	2:3:	Si-4:N-3:P-2:	C-4:C-4:C-4:N-3:	N-2:N-3:	N(SiC3)(NSi2)(PN)	Si(CH3)3(NNP)	P(NC[6a])(NSiN)	N(SiC3)(NSi2)(PN)	Si(CH3)3(NNP)	P(NC[6a])(NSiN)	128.1460	0.000	1	128.1460	0.000	1	128.1460	0.000	1	128.1460	0.000	1	120.7090	49.625	4	120.7090	49.625	4
956	880	940	0:SP3_SP-NON_SP3	N	Si	P	4:3:2:	4:4:4:3:	3:2:	Si-4:N-3:P-2:	C-4:C-4:C-4:N-3:	N-3:P-2:	N(SiC3)(NSi2)(PP)	Si(CH3)3(NNP)	P(NSiN)(PN)	N(SiC3)(NSi2)(PP)	Si(CH3)3(NNP)	P(NSiN)(PN)	117.0050	0.000	1	117.0050	0.000	1	117.0050	0.000	1	117.0050	0.000	1	120.7090	49.625	4	120.7090	49.625	4
956	880	940	0:SP3_SP-NON_SP3	N	Si	P	4:4:2:	3:4:4:4:	3:2:	Si-4:Si-4:P-2:	N-3:C-4:C-4:C-4:	N-3:N-2:	N(SiC3)2(PN)	Si(NSiP)(CH3)3	P(NSi2)(NC)	N(SiC3)2(PN)	Si(NSiP)(CH3)3	P(NSi2)(NC)	118.8425	8.537	2	118.8425	72.879	2	118.8425	72.879	2	118.8425	72.879	2	120.7090	49.625	4	120.7090	49.625	4
956	880	941	0:SP2_SP2_SP3	N	Si	N	3:4:2:	3:4:4:4:	3:1:	Ge[6]-3:Si-4:N-2:	N-3:C-4:C-4:C-4:	N-3:C-1:	N(Ge[6]N[6]2)(SiC3)(NC)	Si(NGe[6]N)(CH3)3	N(NGe[6]Si)(C)	N(Ge[6]N[6]2)(SiC3)(NC)	Si(NGe[6]N)(CH3)3	N(NGe[6]Si)(C)	121.0450	0.000	1	121.0450	0.000	1	121.0450	0.000	1	121.0450	0.000	1	113.9507	12.694	18	113.9507	12.694	18
956	880	941	0:SP2_SP2_SP3	N	Si	N	4:2:1:	4:4:4:3:	3:3:	Si-4:N-2:H-1:	C-4:C-4:C-4:N-3:	C-3:N-3:	N(SiC3)(NC)(H)	Si(CC3)(CH3)2(NHN)	N(CC[6a]H)(NSiH)	N(SiC3)(NC)(H)	Si(CC3)(CH3)2(NHN)	N(CC[6a]H)(NSiH)	121.7150	0.000	1	121.7150	0.000	1	121.7150	0.000	1	121.7150	0.000	1	113.9507	12.694	18	113.9507	12.694	18
956	880	941	0:SP2_SP2_SP3	N	Si	N	4:4:2:	3:4:4:4:	3:1:	Si-4:Si-4:N-2:	N-3:C-4:C-4:C-4:	N-3:C-1:	N(SiC3)2(NC)	Si(NSiN)(CH3)3	N(NSi2)(C)	N(SiC3)2(NC)	Si(NSiN)(CH3)3	N(NSi2)(C)	113.7082	2.410	4	113.7082	5.810	4	113.7082	5.810	4	113.7082	5.810	4	113.9507	12.694	18	113.9507	12.694	18
956	880	941	0:SP2_SP2_SP3	N	Si	N	4:4:2:	3:4:4:4:	3:2:	Si-4:Si-4:N-2:	N-3:C-4:C-4:C-4:	N-3:C-2:	N(SiC3)2(NC)	Si(NSiN)(CH3)3	N(NSi2)(CB)	N(SiC3)2(NC)	Si(NSiN)(CH3)3	N(NSi2)(CB)	113.1425	1.904	4	113.1425	3.624	4	113.7006	2.451	10	113.7006	2.451	10	113.9507	12.694	18	113.9507	12.694	18
956	880	941	0:SP2_SP2_SP3	N	Si	N	4:4:2:	3:4:4:4:	3:2:	Si-4:Si-4:N-2:	N-3:C-4:C-4:C-4:	N-3:C-2:	N(SiC3)2(NC)	Si(NSiN)(CH3)3	N(NSi2)(CC)	N(SiC3)2(NC)	Si(NSiN)(CH3)3	N(NSi2)(CC)	112.6100	1.022	2	112.6100	1.045	2	113.7006	2.451	10	113.7006	2.451	10	113.9507	12.694	18	113.9507	12.694	18
956	880	941	0:SP2_SP2_SP3	N	Si	N	4:4:2:	3:4:4:4:	3:2:	Si-4:Si-4:N-2:	N-3:C-4:C-4:C-4:	N-3:C-2:	N(SiC3)2(NC)	Si(NSiN)(CH3)3	N(NSi2)(CSi)	N(SiC3)2(NC)	Si(NSiN)(CH3)3	N(NSi2)(CSi)	114.8040	0.740	4	114.8040	0.548	4	113.7006	2.451	10	113.7006	2.451	10	113.9507	12.694	18	113.9507	12.694	18
956	880	941	0:SP2_SP2_SP3	N	Si	N	4:4:2:	4:4:4:3:	3:3:	P-4:Si-4:N-2:	C-4:C-4:C-4:N-3:	C-3:N-3:	N(PC[6]Fe2)(SiC3)(NC)	Si(CH3)3(NNP)	N(CFeH)(NSiP)	N(PC[6]Fe2)(SiC3)(NC)	Si(CH3)3(NNP)	N(CFeH)(NSiP)	108.2570	0.000	2	108.2570	0.000	2	108.2570	0.000	2	108.2570	0.000	2	113.9507	12.694	18	113.9507	12.694	18
956	880	943	0:SP2_SP-NON_SP3	N	Si	Ga[6]	4:4:4:	3:4:4:4:	3:3:3:2:	Ga[6]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N[6]-3:N[6]-3:N-3:N-2:	N(Ga[6]N[6]2N)(SiC3)2	Si(NGa[6]Si)(CH3)3	Ga[6](N[6]C[6a]C[6])2(NSi2)(NN)	N(Ga[6]N[6]2N)(SiC3)2	Si(NGa[6]Si)(CH3)3	Ga[6](N[6]C[6a]C[6])2(NSi2)(NN){2|C<4>,5|C<3>}	119.3550	5.713	2	119.3550	32.643	2	119.3550	32.643	2	119.3550	32.643	2	119.3550	32.643	2	119.3550	32.643	2
956	880	945	0:SP2_SP3_SP3	N	Si	P	3:3:4:	3:1:1:1:	3:3:3:	C[6a]-3:P-3:Si-4:	N-3:Cl-1:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PC[6a]2)(SiCl3)	Si(NC[6a]P)(Cl)3	P(C[6a]C[6a]2)2(NC[6a]Si)	N(C[6a]C[6a]2)(PC[6a]2)(SiCl3)	Si(NC[6a]P)(Cl)3	P(C[6a]C[6a]2)2(NC[6a]Si)	112.8800	0.000	1	112.8800	0.000	1	112.8800	0.000	1	112.8800	0.000	1	118.0627	63.172	11	118.0627	63.172	11
956	880	945	0:SP2_SP3_SP3	N	Si	P	3:3:4:	3:4:1:1:	3:3:3:	C[6a]-3:P-3:Si-4:	N-3:Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(PC[6a]2)(SiSiHH)	Si(NC[6a]P)(SiH3)(H)2	P(C[6a]C[6a]2)2(NC[6a]Si)	N(C[6a]C[6a]2)(PC[6a]2)(SiSiHH)	Si(NC[6a]P)(SiH3)(H)2	P(C[6a]C[6a]2)2(NC[6a]Si)	130.1900	0.000	1	130.1900	0.000	1	130.1900	0.000	1	130.1900	0.000	1	118.0627	63.172	11	118.0627	63.172	11
956	880	945	0:SP2_SP3_SP3	N	Si	P	3:4:3:	3:4:1:1:	3:3:3:	C[6a]-3:Si-4:P-3:	N-3:Si-4:Cl-1:Cl-1:	C[6a]-3:C[6a]-3:N-3:	N(C[6a]C[6a]2)(SiCl2Si)(PC[6a]2)	Si(NC[6a]P)(SiCl3)(Cl)2	P(C[6a]C[6a]2)2(NC[6a]Si)	N(C[6a]C[6a]2)(SiCl2Si)(PC[6a]2)	Si(NC[6a]P)(SiCl3)(Cl)2	P(C[6a]C[6a]2)2(NC[6a]Si)	106.9380	0.000	1	106.9380	0.000	1	106.9380	0.000	1	106.9380	0.000	1	118.0627	63.172	11	118.0627	63.172	11
956	880	945	0:SP2_SP3_SP3	N	Si	P	3:4:3:	3:4:4:4:	3:1:1:	C[6a]-3:Si-4:P-3:	N-3:C-4:C-4:C-4:	N-3:Cl-1:Cl-1:	N(C[6a]C[6a]2)(SiC3)(PCl2)	Si(NC[6a]P)(CH3)3	P(NC[6a]Si)(Cl)2	N(C[6a]C[6a]2)(SiC3)(PCl2)	Si(NC[6a]P)(CH3)3	P(NC[6a]Si)(Cl)2	127.1490	0.000	1	127.1490	0.000	1	127.1490	0.000	1	127.1490	0.000	1	118.0627	63.172	11	118.0627	63.172	11
956	880	945	0:SP2_SP3_SP3	N	Si	P	3:4:3:	4:4:4:3:	3:3:1:	P-3:Si-4:N-3:	C-4:C-4:C-4:N-3:	C[6a]-3:N-3:Cl-1:	N(PC[6a]Cl)(SiC3)(NSi2)	Si(CH3)3(NNP)	P(C[6a]C[6a]2)(NSiN)(Cl)	N(PC[6a]Cl)(SiC3)(NSi2)	Si(CH3)3(NNP)	P(C[6a]C[6a]2)(NSiN)(Cl)	113.0470	0.000	1	113.0470	0.000	1	113.0470	0.000	1	113.0470	0.000	1	118.0627	63.172	11	118.0627	63.172	11
956	880	945	0:SP2_SP3_SP3	N	Si	P	4:4:3:	3:4:4:4:	3:1:1:	Si-4:Si-4:P-3:	N-3:C-4:C-4:C-4:	N-3:Cl-1:Cl-1:	N(SiSi3)(SiC3)(PCl2)	Si(NSiP)(CH3)3	P(NSi2)(Cl)2	N(SiSi3)(SiC3)(PCl2)	Si(NSiP)(CH3)3	P(NSi2)(Cl)2	126.3700	0.000	1	126.3700	0.000	1	126.3700	0.000	1	126.3700	0.000	1	118.0627	63.172	11	118.0627	63.172	11
956	880	945	0:SP2_SP3_SP3	N	Si	P	4:4:3:	3:4:4:4:	3:2:2:	Si-4:Si-4:P-3:	N-3:C-4:C-4:C-4:	N-3:O-2:O-2:	N(SiSi3)(SiC3)(POO)	Si(NSiP)(CH3)3	P(NSi2)(OC)2	N(SiSi3)(SiC3)(POO)	Si(NSiP)(CH3)3	P(NSi2)(OC)2	124.7700	0.000	1	124.7700	0.000	1	124.7700	0.000	1	124.7700	0.000	1	118.0627	63.172	11	118.0627	63.172	11
956	880	945	0:SP2_SP3_SP3	N	Si	P	4:4:3:	3:4:4:4:	3:3:1:	C[5]-4:Si-4:P-3:	N-3:C-4:C-4:C-4:	N-3:N-3:Br-1:	N(C[5]C[5]2Fe)(SiC3)(PBrN)	Si(NC[5]P)(CH3)3	P(NC[5]Si)2(Br)	N(C[5]C[5]2Fe)(SiC3)(PBrN)	Si(NC[5]P)(CH3)3	P(NC[5]Si)2(Br)	118.0190	0.188	2	118.0190	0.035	2	118.0190	0.035	2	118.0190	0.035	2	118.0627	63.172	11	118.0627	63.172	11
956	880	945	0:SP2_SP3_SP3	N	Si	P	4:4:3:	4:4:4:3:	3:1:1:	Si-4:Si-4:P-3:	Si-4:Si-4:Si-4:N-3:	N-3:Cl-1:Cl-1:	N(SiSi3)(SiC3)(PCl2)	Si(SiC3)3(NSiP)	P(NSi2)(Cl)2	N(SiSi3)(SiC3)(PCl2)	Si(SiC3)3(NSiP)	P(NSi2)(Cl)2	109.5360	0.000	1	109.5360	0.000	1	109.5360	0.000	1	109.5360	0.000	1	118.0627	63.172	11	118.0627	63.172	11
956	880	945	0:SP2_SP3_SP3	N	Si	P	4:4:3:	4:4:4:3:	3:2:2:	Si-4:Si-4:P-3:	Si-4:Si-4:Si-4:N-3:	N-3:O-2:O-2:	N(SiSi3)(SiC3)(POO)	Si(SiC3)3(NSiP)	P(NSi2)(OC)2	N(SiSi3)(SiC3)(POO)	Si(SiC3)3(NSiP)	P(NSi2)(OC)2	111.7720	0.000	1	111.7720	0.000	1	111.7720	0.000	1	111.7720	0.000	1	118.0627	63.172	11	118.0627	63.172	11
956	880	945	0:SP3_SP3_SP3	N	Si	P	3:4:4:	3:4:4:4:	3:3:1:	P-3:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N[6]-3:N-3:Cl-1:	N(PN[6]Cl)(SiC3)2	Si(NSiP)(CH3)3	P(N[6]C[6]2)(NSi2)(Cl)	N(PN[6]Cl)(SiC3)2	Si(NSiP)(CH3)3	P(N[6]C[6]2)(NSi2)(Cl)	120.2235	11.381	2	120.2235	129.525	2	120.2235	129.525	2	120.2235	129.525	2	125.4236	83.507	7	125.4236	83.507	7
956	880	945	0:SP3_SP3_SP3	N	Si	P	3:4:4:	3:4:4:4:	5:3:1:	P-3:Si-4:Si-4:	N-3:C-4:C-4:C-4:	C[3x3,4,3x5,14x6]-5:N-3:H-1:	N(PC[3x3,4,3x5,14x6]H)(SiC3)2	Si(NSiP)(CH3)3	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NSi2)(H)	N(PC[3x3,4,3x5,14x6]H)(SiC3)2	Si(NSiP)(CH3)3	P(C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(NSi2)(H)	119.2395	8.179	2	119.2395	66.898	2	119.2395	66.898	2	119.2395	66.898	2	125.4236	83.507	7	125.4236	83.507	7
956	880	945	0:SP3_SP3_SP3	N	Si	P	4:3:3:	4:4:4:3:	3:3:1:	Si-4:N-3:P-3:	C-4:C-4:C-4:N-3:	N-3:P-3:Cl-1:	N(SiC3)(NSi2)(PClP)	Si(CH3)3(NNP)	P(NSiN)(PClN)(Cl)	N(SiC3)(NSi2)(PClP)	Si(CH3)3(NNP)	P(NSiN)(PClN)(Cl)	132.1690	0.000	1	132.1690	0.000	1	132.1690	0.000	1	132.1690	0.000	1	125.4236	83.507	7	125.4236	83.507	7
956	880	945	0:SP3_SP3_SP3	N	Si	P	4:4:3:	3:4:4:4:	3:1:1:	C[5]-4:Si-4:P-3:	N-3:C-4:C-4:C-4:	N-3:Cl-1:Cl-1:	N(C[5]C[5]2Fe)(SiC3)(PCl2)	Si(NC[5]P)(CC3)(CH3)2	P(NC[5]Si)(Cl)2	N(C[5]C[5]2Fe)(SiC3)(PCl2)	Si(NC[5]P)(CC3)(CH3)2	P(NC[5]Si)(Cl)2	133.4350	0.429	2	133.4350	0.184	2	133.4350	0.184	2	133.4350	0.184	2	125.4236	83.507	7	125.4236	83.507	7
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	3:4:1:	3:3:3:1:	3:	C[6a]-3:Si-4:H-1:	C[6a]-3:N-3:N-3:H-1:	N-3:	N(C[6a]C[6a]2)(SiC[6a]HN)(H)	Si(C[6a]C[6a]2)(NC[6a]H)2(H)	H(NC[6a]Si)	N(C[6a]C[6a]2)(SiC[6a]HN)(H)	Si(C[6a]C[6a]2)(NC[6a]H)2(H)	H(NC[6a]Si)	116.0470	0.000	1	116.0470	0.000	1	116.0470	0.000	1	116.0470	0.000	1	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	3:4:1:	3:3:3:3:	3:	B[6a]-3:Si-4:H-1:	N-3:N-3:N-3:N-3:	N-3:	N(B[6a]N[6a]2)(SiN3)(H)	Si(NB[6a]H)(NCC)3	H(NB[6a]Si)	N(B[6a]N[6a]2)(SiN3)(H)	Si(NB[6a]H)(NCC)3	H(NB[6a]Si)	112.7230	0.000	1	112.7230	0.000	1	112.7230	0.000	1	115.1797	2.254	9	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	3:4:1:	3:3:3:3:	3:	C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	N-3:	N(C[6a]C[6a]2)(SiC[6a]3)(H)	Si(C[6a]C[6a]2)3(NC[6a]H)	H(NC[6a]Si)	N(C[6a]C[6a]2)(SiC[6a]3)(H)	Si(C[6a]C[6a]2)3(NC[6a]H)	H(NC[6a]Si)	115.6375	1.810	4	115.6375	3.275	4	115.6375	3.275	4	115.1797	2.254	9	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	3:4:1:	3:3:3:3:	3:	C[6a]-3:Si-4:H-1:	N-3:N-3:N-3:N-3:	N-3:	N(C[6a]C[6a,6a]C[6a])(SiN3)(H)	Si(NC[6a]H)4	H(NC[6a]Si)	N(C[6a]C[6a,6a]C[6a])(SiN3)(H)	Si(NC[6a]H)4	H(NC[6a]Si)	115.3360	0.642	4	115.3360	0.412	4	115.3360	0.412	4	115.1797	2.254	9	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	3:4:1:	3:3:3:4:	3:	C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:N-3:C-4:	N-3:	N(C[6a]C[6a,6a]C[6a])(SiC[6a]2C)(H)	Si(C[6a]C[6a]2)2(NC[6a]H)(CH3)	H(NC[6a]Si)	N(C[6a]C[6a,6a]C[6a])(SiC[6a]2C)(H)	Si(C[6a]C[6a]2)2(NC[6a]H)(CH3)	H(NC[6a]Si)	115.6100	0.000	1	115.6100	0.000	1	115.6100	0.000	1	115.6100	0.000	1	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	3:4:1:	3:3:4:4:	3:	C[6a]-3:Si-4:H-1:	N-3:N-3:C-4:C-4:	N-3:	N(C[6a]C[6a]2)(SiCCN)(H)	Si(NC[6a]H)2(CCCH)2	H(NC[6a]Si)	N(C[6a]C[6a]2)(SiCCN)(H)	Si(NC[6a]H)2(CCCH)2	H(NC[6a]Si)	113.5370	0.227	3	113.5370	0.051	3	114.3747	1.063	6	114.3747	1.063	6	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	3:4:1:	3:3:4:4:	3:	C[6a]-3:Si-4:H-1:	N-3:N-3:C-4:C-4:	N-3:	N(C[6a]C[6a]2)(SiCCN)(H)	Si(NC[6a]H)2(CH3)2	H(NC[6a]Si)	N(C[6a]C[6a]2)(SiCCN)(H)	Si(NC[6a]H)2(CH3)2	H(NC[6a]Si)	115.2123	0.708	3	115.2123	0.501	3	114.3747	1.063	6	114.3747	1.063	6	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	3:4:1:	3:4:4:2:	3:	C[6a]-3:Si-4:H-1:	N-3:C-4:C-4:O-2:	N-3:	N(C[6a]C[6a]2)(SiCCO)(H)	Si(NC[6a]H)(CH3)2(OSi)	H(NC[6a]Si)	N(C[6a]C[6a]2)(SiCCO)(H)	Si(NC[6a]H)(CH3)2(OSi)	H(NC[6a]Si)	119.1030	0.000	1	119.1030	0.000	1	119.1030	0.000	1	119.1030	0.000	1	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	3:4:1:	3:4:4:4:	3:	C[6]-3:Si-4:H-1:	N-3:C-4:C-4:C-4:	N-3:	N(C[6]C[6]N[6])(SiC3)(H)	Si(NC[6]H)(CH3)3	H(NC[6]Si)	N(C[6]C[6]N[6])(SiC3)(H)	Si(NC[6]H)(CH3)3	H(NC[6]Si)	115.1374	0.813	5	115.1374	0.660	5	115.1374	0.660	5	114.5252	1.575	10	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	3:4:1:	3:4:4:4:	3:	C[6a]-3:Si-4:H-1:	N-3:C-4:C-4:C-4:	N-3:	N(C[6a]C[6a]2)(SiC3)(H)	Si(NC[6a]H)(CH3)3	H(NC[6a]Si)	N(C[6a]C[6a]2)(SiC3)(H)	Si(NC[6a]H)(CH3)3	H(NC[6a]Si)	112.9360	0.533	2	112.9360	0.284	2	113.9130	1.947	5	114.5252	1.575	10	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	3:4:1:	3:4:4:4:	3:	C[6a]-3:Si-4:H-1:	N-3:C-4:C-4:C-4:	N-3:	N(C[6a]C[6a]2)(SiC3)(H)	Si(NC[6a]H)(CSi2H)(CH3)2	H(NC[6a]Si)	N(C[6a]C[6a]2)(SiC3)(H)	Si(NC[6a]H)(CSi2H)(CH3)2	H(NC[6a]Si)	114.5643	1.470	3	114.5643	2.162	3	113.9130	1.947	5	114.5252	1.575	10	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	3:4:1:	4:3:4:4:	3:	C[6]-3:Si-4:H-1:	C[5]-4:N-3:C-4:C-4:	N-3:	N(C[6]N[5,6]C[6])(SiC[5]CC)(H)	Si(C[5]C[5,6a]2H)(NC[6]H)(CH3)2	H(NC[6]Si)	N(C[6]N[5,6]C[6])(SiC[5]CC)(H)	Si(C[5]C[5,6a]2H)(NC[6]H)(CH3)2	H(NC[6]Si)	114.4760	0.000	1	114.4760	0.000	1	114.4760	0.000	1	114.5013	0.000	3	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	3:4:1:	4:3:4:4:	3:	C[6a]-3:Si-4:H-1:	C-4:N-3:C-4:C-4:	N-3:	N(C[6a]C[6a]2)(SiC3)(H)	Si(CN[5a]2H)(NC[6a]H)(CH3)2	H(NC[6a]Si)	N(C[6a]C[6a]2)(SiC3)(H)	Si(CN[5a]2H)(NC[6a]H)(CH3)2	H(NC[6a]Si)	114.5170	0.000	1	114.5170	0.000	1	114.5170	0.000	1	114.5013	0.000	3	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	3:4:1:	4:3:4:4:	3:	C[6a]-3:Si-4:H-1:	C[5]-4:N-3:C-4:C-4:	N-3:	N(C[6a]C[6a]2)(SiC[5]CC)(H)	Si(C[5]C[5]2H)(NC[6a]H)(CH3)2	H(NC[6a]Si)	N(C[6a]C[6a]2)(SiC[5]CC)(H)	Si(C[5]C[5]2H)(NC[6a]H)(CH3)2	H(NC[6a]Si)	114.5110	0.000	1	114.5110	0.000	1	114.5110	0.000	1	114.5013	0.000	3	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	3:4:1:	4:4:4:3:	3:	C-3:Si-4:H-1:	C-4:C-4:C-4:N-3:	N-3:	N(CC[6a]C[5])(SiC3)(H)	Si(CH3)3(NCH)	H(NSiC)	N(CC[6a]C[5])(SiC3)(H)	Si(CH3)3(NCH)	H(NSiC)	114.7770	0.000	1	114.7770	0.000	1	117.3495	2.956	4	117.3495	2.956	4	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	3:4:1:	4:4:4:3:	3:	C-3:Si-4:H-1:	C-4:C-4:C-4:N-3:	N-3:	N(CC[6a]N)(SiC3)(H)	Si(CH3)3(NCH)	H(NSiC)	N(CC[6a]N)(SiC3)(H)	Si(CH3)3(NCH)	H(NSiC)	118.0440	0.000	1	118.0440	0.000	1	117.3495	2.956	4	117.3495	2.956	4	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	3:4:1:	4:4:4:3:	3:	C-3:Si-4:H-1:	C-4:C-4:C-4:N-3:	N-3:	N(CC[6a]O)(SiC3)(H)	Si(CH3)3(NCH)	H(NSiC)	N(CC[6a]O)(SiC3)(H)	Si(CH3)3(NCH)	H(NSiC)	118.2885	0.064	2	118.2885	0.004	2	117.3495	2.956	4	117.3495	2.956	4	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	4:1:1:	3:3:4:3:	3:	Si-4:H-1:H-1:	C[6a]-3:C[6a]-3:Si-4:N-3:	N-3:	N(SiC[6a]2Si)(H)2	Si(C[6a]C[6a]2)2(SiC[6a]2H)(NHH)	H(NSiH)	N(SiC[6a]2Si)(H)2	Si(C[6a]C[6a]2)2(SiC[6a]2H)(NHH)	H(NSiH)	120.5420	1.471	2	120.5420	2.163	2	120.5420	2.163	2	120.5420	2.163	2	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	4:2:1:	4:4:4:3:	3:	Si-4:N-2:H-1:	C-4:C-4:C-4:N-3:	N-3:	N(SiC3)(NC)(H)	Si(CC3)(CH3)2(NHN)	H(NSiN)	N(SiC3)(NC)(H)	Si(CC3)(CH3)2(NHN)	H(NSiN)	119.1750	0.000	1	119.1750	0.000	1	119.1750	0.000	1	119.1750	0.000	1	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	4:3:1:	3:3:2:1:	3:	Si-4:N-3:H-1:	C[6a]-3:N-3:N-2:Cl-1:	N-3:	N(SiC[6a]ClN)(NCC)(H)	Si(C[6a]C[6a]2)(NHN)(NN)(Cl)	H(NSiN)	N(SiC[6a]ClN)(NCC)(H)	Si(C[6a]C[6a]2)(NHN)(NN)(Cl)	H(NSiN)	121.4020	0.000	1	121.4020	0.000	1	121.4020	0.000	1	123.4770	8.611	2	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	4:3:1:	3:3:2:1:	3:	Si-4:N-3:H-1:	N-3:N-3:N-2:H-1:	N-3:	N(SiHNN)(NCC)(H)	Si(NSiN)(NHN)(NN)(H)	H(NSiN)	N(SiHNN)(NCC)(H)	Si(NSiN)(NHN)(NN)(H)	H(NSiN)	125.5520	0.000	1	125.5520	0.000	1	125.5520	0.000	1	123.4770	8.611	2	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	4:3:1:	4:4:4:3:	3:	Si-4:B-3:H-1:	C-4:C-4:C-4:N-3:	N-3:	N(SiC3)(BPtN)(H)	Si(CH3)3(NBH)	H(NSiB)	N(SiC3)(BPtN)(H)	Si(CH3)3(NBH)	H(NSiB)	110.3290	0.000	1	110.3290	0.000	1	112.6100	10.406	2	114.3710	14.506	3	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	4:3:1:	4:4:4:3:	3:	Si-4:B-3:H-1:	C-4:C-4:C-4:N-3:	N-3:	N(SiC3)(BPtO)(H)	Si(CH3)3(NBH)	H(NSiB)	N(SiC3)(BPtO)(H)	Si(CH3)3(NBH)	H(NSiB)	114.8910	0.000	1	114.8910	0.000	1	112.6100	10.406	2	114.3710	14.506	3	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	4:3:1:	4:4:4:3:	3:	Si-4:C-3:H-1:	C-4:Si-4:Si-4:N-3:	N-3:	N(SiSi2C)(CCO)(H)	Si(CCHO)(SiC3)2(NCH)	H(NSiC)	N(SiSi2C)(CCO)(H)	Si(CCHO)(SiC3)2(NCH)	H(NSiC)	117.8930	0.000	1	117.8930	0.000	1	117.8930	0.000	1	114.3710	14.506	3	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	4:4:1:	3:2:2:2:	3:	Si-4:Si-4:H-1:	N-3:O-2:O-2:O-2:	N-3:	N(SiO3)2(H)	Si(NSiH)(OC)3	H(NSi2)	N(SiO3)2(H)	Si(NSiH)(OC)3	H(NSi2)	112.1465	3.344	2	112.1465	11.182	2	112.1465	11.182	2	112.1465	11.182	2	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	4:4:1:	3:3:1:1:	3:	C[3x6]-4:Si-4:H-1:	C[5]-3:N-3:Cl-1:Cl-1:	N-3:	N(C[3x6]C[6,6]3)(SiC[5]Cl2)(H)	Si(C[5]C[5]N[5])(NC[3x6]H)(Cl)2	H(NC[3x6]Si)	N(C[3x6]C[6,6]3)(SiC[5]Cl2)(H)	Si(C[5]C[5]N[5])(NC[3x6]H)(Cl)2	H(NC[3x6]Si)	111.7430	0.000	1	111.7430	0.000	1	111.7430	0.000	1	111.7430	0.000	1	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	4:4:1:	3:3:3:2:	3:	Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:N-3:O-2:	N-3:	N(SiC[6a]2O)2(H)	Si(C[6a]C[6a]2)2(NSiH)(OSi)	H(NSi2)	N(SiC[6a]2O)2(H)	Si(C[6a]C[6a]2)2(NSiH)(OSi)	H(NSi2)	113.5655	0.063	2	113.5655	0.004	2	113.5655	0.004	2	113.5655	0.004	2	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	4:4:1:	3:3:3:3:	3:	Si-4:Si-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:N-3:	N-3:	N(SiC[6a]3)(SiCCN)(H)	Si(C[6a]C[6a]2)3(NSiH)	H(NSi2)	N(SiC[6a]3)(SiCCN)(H)	Si(C[6a]C[6a]2)3(NSiH)	H(NSi2)	110.1495	0.268	2	110.1495	0.072	2	110.1495	0.072	2	110.1495	0.072	2	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	4:4:1:	3:3:4:4:	3:	Si-4:Si-4:H-1:	C[6a]-3:N-3:C-4:C-4:	N-3:	N(SiC[6a]CC)2(H)	Si(C[6a]C[6a]2)(NSiH)(CH3)2	H(NSi2)	N(SiC[6a]CC)2(H)	Si(C[6a]C[6a]2)(NSiH)(CH3)2	H(NSi2)	113.0273	0.070	3	113.0273	0.005	3	113.0273	0.005	3	113.0273	0.005	3	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	4:4:1:	3:4:4:4:	3:	C[3x6]-4:Si-4:H-1:	N-3:Si-4:Si-4:Si-4:	N-3:	N(C[3x6]C[6,6]3)(SiSi3)(H)	Si(NC[3x6]H)(SiC3)3	H(NC[3x6]Si)	N(C[3x6]C[6,6]3)(SiSi3)(H)	Si(NC[3x6]H)(SiC3)3	H(NC[3x6]Si)	112.6730	0.000	1	112.6730	0.000	1	112.6730	0.000	1	112.8415	0.057	2	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	4:4:1:	3:4:4:4:	3:	Ge[6]-4:Si-4:H-1:	N-3:C-4:C-4:C-4:	N-3:	N(Ge[6]N[6]2N)(SiC3)(H)	Si(NGe[6]H)(CH3)3	H(NGe[6]Si)	N(Ge[6]N[6]2N)(SiC3)(H)	Si(NGe[6]H)(CH3)3	H(NGe[6]Si)	113.0100	0.000	1	113.0100	0.000	1	113.0100	0.000	1	112.8415	0.057	2	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	4:4:1:	4:3:4:4:	3:	Si-4:Si-4:H-1:	C-4:N-3:C-4:C-4:	N-3:	N(SiC3)2(H)	Si(CHHP)(NSiH)(CH3)2	H(NSi2)	N(SiC3)2(H)	Si(CHHP)(NSiH)(CH3)2	H(NSi2)	113.0790	0.096	2	113.0790	0.009	2	113.0790	0.009	2	113.0790	0.009	2	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	4:4:1:	4:4:3:3:	3:	Si-4:Si-4:H-1:	C-4:C-4:N-3:N-3:	N-3:	N(SiC[6a]3)(SiCCN)(H)	Si(CCCH)2(NSiH)2	H(NSi2)	N(SiC[6a]3)(SiCCN)(H)	Si(CCCH)2(NSiH)2	H(NSi2)	110.1375	0.268	2	110.1375	0.072	2	110.1375	0.072	2	110.1375	0.072	2	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	4:4:1:	4:4:4:3:	3:	C-4:Si-4:H-1:	C-4:C-4:C-4:N-3:	N-3:	N(CC[6a]3)(SiC3)(H)	Si(CH3)3(NCH)	H(NSiC)	N(CC[6a]3)(SiC3)(H)	Si(CH3)3(NCH)	H(NSiC)	111.9290	0.000	1	111.9290	0.000	1	111.9290	0.000	1	114.4045	7.560	4	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	4:4:1:	4:4:4:3:	3:	P-4:Si-4:H-1:	C-4:C-4:C-4:N-3:	N-3:	N(PC[6a]2C)(SiC3)(H)	Si(CH3)3(NHP)	H(NSiP)	N(PC[6a]2C)(SiC3)(H)	Si(CH3)3(NHP)	H(NSiP)	115.9315	3.399	2	115.9315	11.554	2	115.9315	11.554	2	114.4045	7.560	4	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP2_SP-NON_SP3	N	Si	H	4:4:1:	4:4:4:3:	3:	Si-4:C-4:H-1:	C[5]-4:C-4:C-4:N-3:	N-3:	N(SiC[5]CC)(CC3)(H)	Si(C[5]C[5,6]C[5]Eu)(CH3)2(NCH)	H(NSiC)	N(SiC[5]CC)(CC3)(H)	Si(C[5]C[5,6]C[5]Eu)(CH3)2(NCH)	H(NSiC)	113.8260	0.000	1	113.8260	0.000	1	113.8260	0.000	1	114.4045	7.560	4	114.8315	8.765	63	114.8315	8.765	63
956	880	951	0:SP3_SP-NON_SP3	N	Si	H	3:4:1:	3:3:3:1:	3:	C[6a]-3:Si-4:H-1:	C[6a]-3:N-3:N-3:H-1:	N-3:	N(C[6a]C[6a]2)(SiC[6a]HN)(H)	Si(C[6a]C[6a]2)(NC[6a]H)2(H)	H(NC[6a]Si)	N(C[6a]C[6a]2)(SiC[6a]HN)(H)	Si(C[6a]C[6a]2)(NC[6a]H)2(H)	H(NC[6a]Si)	113.5030	0.000	1	113.5030	0.000	1	113.5030	0.000	1	113.5030	0.000	1	116.6963	15.446	27	116.6963	15.446	27
956	880	951	0:SP3_SP-NON_SP3	N	Si	H	3:4:1:	3:3:3:4:	3:	C[6a]-3:Si-4:H-1:	C[6a]-3:C[6a]-3:N-3:C-4:	N-3:	N(C[6a]C[6a,6a]C[6a])(SiC[6a]2C)(H)	Si(C[6a]C[6a]2)2(NC[6a]H)(CH3)	H(NC[6a]Si)	N(C[6a]C[6a,6a]C[6a])(SiC[6a]2C)(H)	Si(C[6a]C[6a]2)2(NC[6a]H)(CH3)	H(NC[6a]Si)	111.6070	0.000	1	111.6070	0.000	1	111.6070	0.000	1	111.6070	0.000	1	116.6963	15.446	27	116.6963	15.446	27
956	880	951	0:SP3_SP-NON_SP3	N	Si	H	3:4:1:	3:4:4:2:	3:	C[6a]-3:Si-4:H-1:	N-3:C-4:C-4:O-2:	N-3:	N(C[6a]C[6a]2)(SiCCO)(H)	Si(NC[6a]H)(CH3)2(OSi)	H(NC[6a]Si)	N(C[6a]C[6a]2)(SiCCO)(H)	Si(NC[6a]H)(CH3)2(OSi)	H(NC[6a]Si)	115.3750	0.000	1	115.3750	0.000	1	115.3750	0.000	1	115.3750	0.000	1	116.6963	15.446	27	116.6963	15.446	27
956	880	951	0:SP3_SP-NON_SP3	N	Si	H	3:4:1:	3:4:4:4:	3:	C[6]-3:Si-4:H-1:	N-3:C-4:C-4:C-4:	N-3:	N(C[6]C[6]N[6])(SiC3)(H)	Si(NC[6]H)(CH3)3	H(NC[6]Si)	N(C[6]C[6]N[6])(SiC3)(H)	Si(NC[6]H)(CH3)3	H(NC[6]Si)	109.1400	0.000	1	109.1400	0.000	1	109.1400	0.000	1	112.1877	7.162	3	116.6963	15.446	27	116.6963	15.446	27
956	880	951	0:SP3_SP-NON_SP3	N	Si	H	3:4:1:	3:4:4:4:	3:	C[6a]-3:Si-4:H-1:	N-3:C-4:C-4:C-4:	N-3:	N(C[6a]C[6a]2)(SiC3)(H)	Si(NC[6a]H)(CCCH)2(CHHP)	H(NC[6a]Si)	N(C[6a]C[6a]2)(SiC3)(H)	Si(NC[6a]H)(CCCH)2(CHHP)	H(NC[6a]Si)	113.2690	0.000	1	113.2690	0.000	1	113.7115	0.392	2	112.1877	7.162	3	116.6963	15.446	27	116.6963	15.446	27
956	880	951	0:SP3_SP-NON_SP3	N	Si	H	3:4:1:	3:4:4:4:	3:	C[6a]-3:Si-4:H-1:	N-3:C-4:C-4:C-4:	N-3:	N(C[6a]C[6a]2)(SiC3)(H)	Si(NC[6a]H)(CSi2H)(CH3)2	H(NC[6a]Si)	N(C[6a]C[6a]2)(SiC3)(H)	Si(NC[6a]H)(CSi2H)(CH3)2	H(NC[6a]Si)	114.1540	0.000	1	114.1540	0.000	1	113.7115	0.392	2	112.1877	7.162	3	116.6963	15.446	27	116.6963	15.446	27
956	880	951	0:SP3_SP-NON_SP3	N	Si	H	4:1:1:	3:4:3:1:	3:	Si-4:H-1:H-1:	N-3:Si-4:N-3:H-1:	N-3:	N(SiSiHN)(H)2	Si(NC[6a]Si)(SiSi3)(NHH)(H)	H(NSiH)	N(SiSiHN)(H)2	Si(NC[6a]Si)(SiSi3)(NHH)(H)	H(NSiH)	116.1490	1.078	2	116.1490	1.161	2	116.1490	1.161	2	116.1490	1.161	2	116.6963	15.446	27	116.6963	15.446	27
956	880	951	0:SP3_SP-NON_SP3	N	Si	H	4:1:1:	3:4:3:3:	3:	Si-4:H-1:H-1:	C[6a]-3:Si-4:N-3:N-3:	N-3:	N(SiC[6a]SiN)(H)2	Si(C[6a]C[6,6a]C[6a])(SiSiHH)(NCC)(NHH)	H(NSiH)	N(SiC[6a]SiN)(H)2	Si(C[6a]C[6,6a]C[6a])(SiSiHH)(NCC)(NHH)	H(NSiH)	114.7845	4.149	2	114.7845	17.211	2	114.7845	17.211	2	114.7845	17.211	2	116.6963	15.446	27	116.6963	15.446	27
956	880	951	0:SP3_SP-NON_SP3	N	Si	H	4:3:1:	3:3:2:2:	3:	Si-4:N-3:H-1:	N-3:N-3:N-2:N-2:	N-3:	N(SiN3)(NCC)(H)	Si(NHN)2(NN)2	H(NSiN)	N(SiN3)(NCC)(H)	Si(NHN)2(NN)2	H(NSiN)	120.4320	0.000	1	120.4320	0.000	1	120.4320	0.000	1	120.4320	0.000	1	116.6963	15.446	27	116.6963	15.446	27
956	880	951	0:SP3_SP-NON_SP3	N	Si	H	4:3:1:	3:3:3:1:	3:	Si-4:N-3:H-1:	N-3:N-3:N-3:H-1:	N-3:	N(SiHNN)(NCC)(H)	Si(NSiN)(NHN)2(H)	H(NSiN)	N(SiHNN)(NCC)(H)	Si(NSiN)(NHN)2(H)	H(NSiN)	124.1485	0.920	2	124.1485	0.846	2	124.1485	0.846	2	124.1485	0.846	2	116.6963	15.446	27	116.6963	15.446	27
956	880	951	0:SP3_SP-NON_SP3	N	Si	H	4:3:1:	3:3:3:3:	3:	Si-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:N-3:	N-3:	N(SiC[6a]2N)(NCC)(H)	Si(C[6a]C[6a]2)2(NHN)2	H(NSiN)	N(SiC[6a]2N)(NCC)(H)	Si(C[6a]C[6a]2)2(NHN)2	H(NSiN)	119.0890	0.912	2	119.0890	0.832	2	119.0890	0.832	2	118.2097	1.378	4	116.6963	15.446	27	116.6963	15.446	27
956	880	951	0:SP3_SP-NON_SP3	N	Si	H	4:3:1:	3:3:3:3:	3:	Si-4:N-3:H-1:	N-3:N-3:N-3:N-3:	N-3:	N(SiN3)(NCC)(H)	Si(NHN)4	H(NSiN)	N(SiN3)(NCC)(H)	Si(NHN)4	H(NSiN)	117.3305	0.457	2	117.3305	0.209	2	117.3305	0.209	2	118.2097	1.378	4	116.6963	15.446	27	116.6963	15.446	27
956	880	951	0:SP3_SP-NON_SP3	N	Si	H	4:3:1:	4:4:4:3:	3:	Si-4:S-3:H-1:	C-4:C-4:C-4:N-3:	N-3:	N(SiC3)(SCN)(H)	Si(CH3)3(NHS)	H(NSiS)	N(SiC3)(SCN)(H)	Si(CH3)3(NHS)	H(NSiS)	122.5350	0.000	1	122.5350	0.000	1	122.5350	0.000	1	122.5350	0.000	1	116.6963	15.446	27	116.6963	15.446	27
956	880	951	0:SP3_SP-NON_SP3	N	Si	H	4:4:1:	3:4:4:3:	3:	Si-4:C-4:H-1:	N-3:C-4:C-4:N-3:	N-3:	N(SiCCN)(CC3)(H)	Si(NCoC)(CH3)2(NCH)	H(NSiC)	N(SiCCN)(CC3)(H)	Si(NCoC)(CH3)2(NCH)	H(NSiC)	114.6190	0.000	1	114.6190	0.000	1	114.6190	0.000	1	114.6190	0.000	1	116.6963	15.446	27	116.6963	15.446	27
956	880	951	0:SP3_SP-NON_SP3	N	Si	H	4:4:1:	3:4:4:4:	3:	Si[5]-4:Si-4:H-1:	N-3:C-4:C-4:C-4:	N-3:	N(Si[5]N[5]O[5]N)(SiC3)(H)	Si(NSi[5]H)(CH3)3	H(NSi[5]Si)	N(Si[5]N[5]O[5]N)(SiC3)(H)	Si(NSi[5]H)(CH3)3	H(NSi[5]Si)	116.0560	0.000	1	116.0560	0.000	1	116.0560	0.000	1	116.0560	0.000	1	116.6963	15.446	27	116.6963	15.446	27
956	880	951	0:SP3_SP-NON_SP3	N	Si	H	4:4:1:	4:4:4:3:	3:	C-4:Si-4:H-1:	C-4:C-4:C-4:N-3:	N-3:	N(CC[6]HH)(SiC3)(H)	Si(CCCH)3(NCH)	H(NSiC)	N(CC[6]HH)(SiC3)(H)	Si(CCCH)3(NCH)	H(NSiC)	114.3445	3.570	2	114.3445	12.746	2	114.3445	12.746	2	116.7297	14.030	7	116.6963	15.446	27	116.6963	15.446	27
956	880	951	0:SP3_SP-NON_SP3	N	Si	H	4:4:1:	4:4:4:3:	3:	P-4:Si-4:H-1:	C-4:C-4:C-4:N-3:	N-3:	N(PC[6a]2C)(SiC3)(H)	Si(CH3)3(NHP)	H(NSiP)	N(PC[6a]2C)(SiC3)(H)	Si(CH3)3(NHP)	H(NSiP)	116.4320	2.664	2	116.4320	7.099	2	116.4320	7.099	2	116.7297	14.030	7	116.6963	15.446	27	116.6963	15.446	27
956	880	951	0:SP3_SP-NON_SP3	N	Si	H	4:4:1:	4:4:4:3:	3:	S-4:Si-4:H-1:	C-4:C-4:C-4:N-3:	N-3:	N(SCOO)(SiC3)(H)	Si(CH3)3(NHS)	H(NSiS)	N(SCOO)(SiC3)(H)	Si(CH3)3(NHS)	H(NSiS)	121.1405	1.388	2	121.1405	1.927	2	121.1405	1.927	2	116.7297	14.030	7	116.6963	15.446	27	116.6963	15.446	27
956	880	951	0:SP3_SP-NON_SP3	N	Si	H	4:4:1:	4:4:4:3:	3:	Si-4:C-4:H-1:	C[5]-4:C-4:C-4:N-3:	N-3:	N(SiC[5]CC)(CC3)(H)	Si(C[5]C[5,6]C[5]Eu)(CH3)2(NCH)	H(NSiC)	N(SiC[5]CC)(CC3)(H)	Si(C[5]C[5,6]C[5]Eu)(CH3)2(NCH)	H(NSiC)	113.2740	0.000	1	113.2740	0.000	1	113.2740	0.000	1	116.7297	14.030	7	116.6963	15.446	27	116.6963	15.446	27
956	880	952	0:SP3_SP3_SP3	N	Si	S	4:4:1:	4:4:4:3:	3:4:1:1:	S-4:Si-4:H-1:	C-4:C-4:C-4:N-3:	N-3:C-4:O-1:O-1:	N(SCOO)(SiC3)(H)	Si(CH3)3(NHS)	S(NSiH)(CH3)(O)2	N(SCOO)(SiC3)(H)	Si(CH3)3(NHS)	S(NSiH)(CH3)(O)2	128.2070	0.526	2	128.2070	0.277	2	128.2070	0.277	2	128.2070	0.277	2	128.2070	0.277	2	128.2070	0.277	2
956	880	955	0:SP2_SP3_SP3	N	Si	P[5]	4:4:4:	3:4:4:4:	4:4:3:2:	P[5]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	C[5]-4:C[5]-4:N-3:N-2:	N(P[5]C[5]2N)(SiC3)2	Si(NP[5]Si)(CH3)3	P[5](C[5]C[5]HH)2(NSi2)(NC)	N(P[5]C[5]2N)(SiC3)2	Si(NP[5]Si)(CH3)3	P[5](C[5]C[5]HH)2(NSi2)(NC){2|C<4>}	120.9535	1.983	2	120.9535	3.934	2	120.9535	3.934	2	120.9535	3.934	2	120.9535	3.934	2	120.9535	3.934	2
956	880	955	0:SP3_SP3_SP3	N	Si	P[5,5]	4:4:4:	3:4:4:4:	4:4:3:2:	P[5,5]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	C[5,5,6]-4:C[5,5,6]-4:N-3:N-2:	N(P[5,5]C[5,5,6]2N)(SiC3)2	Si(NP[5,5]Si)(CH3)3	P[5,5](C[5,5,6]C[5,6]2H)2(NSi2)(NC)	N(P[5,5]C[5,5,6]2N)(SiC3)2	Si(NP[5,5]Si)(CH3)3	P[5,5](C[5,5,6]C[5,6]2H)2(NSi2)(NC){6|H<1>}	120.5455	5.363	2	120.5455	28.766	2	120.5455	28.766	2	120.5455	28.766	2	120.5455	28.766	2	120.6690	12.834	4
956	880	955	0:SP3_SP3_SP3	N	Si	P[5]	4:4:4:	3:4:4:4:	4:4:3:1:	P[5]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	C[5]-4:C[5]-4:N-3:Cl-1:	N(P[5]C[5]2Cl)(SiC3)2	Si(NP[5]Si)(CH3)3	P[5](C[5]C[5]HH)2(NSi2)(Cl)	N(P[5]C[5]2Cl)(SiC3)2	Si(NP[5]Si)(CH3)3	P[5](C[5]C[5]HH)2(NSi2)(Cl){2|C<4>}	120.7925	3.111	2	120.7925	9.676	2	120.7925	9.676	2	120.7925	9.676	2	120.7925	9.676	2	120.6690	12.834	4
956	880	956	0:SP2_SP2_SP3	N	Si	N	3:4:3:	3:3:4:4:	3:4:3:	C[6a]-3:Si-4:N-3:	C[6a]-3:N-3:C-4:C-4:	C[6a]-3:Si-4:N-3:	N(C[6a]C[6a]2)(SiC[6a]CC)(NC[6a]Si)	Si(C[6a]C[6a]2)(NC[6a]N)(CH3)2	N(C[6a]C[6a]2)(SiC[6a]CC)(NC[6a]Si)	N(C[6a]C[6a]2)(SiC[6a]CC)(NC[6a]Si)	Si(C[6a]C[6a]2)(NC[6a]N)(CH3)2	N(C[6a]C[6a]2)(SiC[6a]CC)(NC[6a]Si)	117.1455	0.944	2	117.1455	0.891	2	117.1455	0.891	2	117.1455	0.891	2	117.5708	3.148	17	117.5708	3.148	17
956	880	956	0:SP2_SP2_SP3	N	Si	N	3:4:3:	3:4:4:4:	3:4:4:	C[5a]-3:Si-4:N-3:	N-3:C-4:C-4:C-4:	N-3:Si-4:Si-4:	N(C[5a]C[5a]N[5a])(SiC3)(NSi2)	Si(NC[5a]N)(CH3)3	N(NC[5a]Si)(SiC3)2	N(C[5a]C[5a]N[5a])(SiC3)(NSi2)	Si(NC[5a]N)(CH3)3	N(NC[5a]Si)(SiC3)2	118.1725	0.310	2	118.1725	0.096	2	118.1725	0.096	2	118.1725	0.096	2	117.5708	3.148	17	117.5708	3.148	17
956	880	956	0:SP2_SP2_SP3	N	Si	N	3:4:3:	4:4:4:3:	4:4:3:	P-3:Si-4:N-3:	C-4:C-4:C-4:N-3:	Si-4:Si-4:N-3:	N(PC[6a]Cl)(SiC3)(NSi2)	Si(CH3)3(NNP)	N(SiC3)2(NSiP)	N(PC[6a]Cl)(SiC3)(NSi2)	Si(CH3)3(NNP)	N(SiC3)2(NSiP)	121.4570	0.000	1	121.4570	0.000	1	121.4570	0.000	1	121.4570	0.000	1	117.5708	3.148	17	117.5708	3.148	17
956	880	956	0:SP2_SP2_SP3	N	Si	N	3:4:4:	3:4:4:4:	3:4:3:	N-3:Si-4:Si-4:	N-3:C-4:C-4:C-4:	C[5a]-3:Si-4:N-3:	N(NC[5a]Si)(SiC3)2	Si(NSiN)(CH3)3	N(C[5a]C[5a]N[5a])(SiC3)(NSi2)	N(NC[5a]Si)(SiC3)2	Si(NSiN)(CH3)3	N(C[5a]C[5a]N[5a])(SiC3)(NSi2)	115.6150	2.115	4	115.6150	4.473	4	115.6150	4.473	4	115.6150	4.473	4	117.5708	3.148	17	117.5708	3.148	17
956	880	956	0:SP2_SP2_SP3	N	Si	N	4:4:3:	3:4:4:1:	4:4:3:	Si-4:Si-4:N-3:	N-3:C-4:C-4:Cl-1:	P-4:Si-4:N-3:	N(SiClCC)(SiC3)(NSiP)	Si(NSiN)(CH3)2(Cl)	N(PC[6a]GaC)(SiC3)(NSi2)	N(SiClCC)(SiC3)(NSiP)	Si(NSiN)(CH3)2(Cl)	N(PC[6a]GaC)(SiC3)(NSi2)	118.4770	0.000	1	118.4770	0.000	1	118.4770	0.000	1	118.4770	0.000	1	117.5708	3.148	17	117.5708	3.148	17
956	880	956	0:SP2_SP2_SP3	N	Si	N	4:4:3:	3:4:4:4:	3:4:3:	Si-4:Si-4:N-3:	N-3:C-4:C-4:C-4:	P-3:Si-4:N-3:	N(SiC3)2(NSiP)	Si(NSiN)(CH3)3	N(PC[6a]Cl)(SiC3)(NSi2)	N(SiC3)2(NSiP)	Si(NSiN)(CH3)3	N(PC[6a]Cl)(SiC3)(NSi2)	117.5465	0.962	2	117.5465	0.926	2	117.5465	0.926	2	117.5465	0.926	2	117.5708	3.148	17	117.5708	3.148	17
956	880	956	0:SP2_SP2_SP3	N	Si	N	4:4:3:	3:4:4:4:	4:4:3:	Si-4:Si-4:N-3:	N-3:C-4:C-4:C-4:	P-4:Si-4:N-3:	N(SiC3)2(NSiP)	Si(NSiN)(CH3)3	N(PC[6a]GaC)(SiC3)(NSi2)	N(SiC3)2(NSiP)	Si(NSiN)(CH3)3	N(PC[6a]GaC)(SiC3)(NSi2)	118.2050	0.880	2	118.2050	0.774	2	118.1247	0.406	3	118.1247	0.406	3	117.5708	3.148	17	117.5708	3.148	17
956	880	956	0:SP2_SP2_SP3	N	Si	N	4:4:3:	3:4:4:4:	4:4:3:	Si-4:Si-4:N-3:	N-3:C-4:C-4:C-4:	P-4:Si-4:N-3:	N(SiClCC)(SiC3)(NSiP)	Si(NSiN)(CH3)3	N(PC[6a]GaC)(SiC3)(NSi2)	N(SiClCC)(SiC3)(NSiP)	Si(NSiN)(CH3)3	N(PC[6a]GaC)(SiC3)(NSi2)	117.9640	0.000	1	117.9640	0.000	1	118.1247	0.406	3	118.1247	0.406	3	117.5708	3.148	17	117.5708	3.148	17
956	880	956	0:SP2_SP2_SP3	N	Si	N	4:4:3:	4:4:4:3:	4:4:3:	P-4:Si-4:N-3:	C-4:C-4:C-4:N-3:	Si-4:Si-4:N-3:	N(PC[6a]GaC)(SiC3)(NSi2)	Si(CH3)3(NNP)	N(SiC3)2(NSiP)	N(PC[6a]GaC)(SiC3)(NSi2)	Si(CH3)3(NNP)	N(SiC3)2(NSiP)	118.5640	0.000	1	118.5640	0.000	1	118.1030	0.425	2	118.1030	0.425	2	117.5708	3.148	17	117.5708	3.148	17
956	880	956	0:SP2_SP2_SP3	N	Si	N	4:4:3:	4:4:4:3:	4:4:3:	P-4:Si-4:N-3:	C-4:C-4:C-4:N-3:	Si-4:Si-4:N-3:	N(PC[6a]GaC)(SiC3)(NSi2)	Si(CH3)3(NNP)	N(SiClCC)(SiC3)(NSiP)	N(PC[6a]GaC)(SiC3)(NSi2)	Si(CH3)3(NNP)	N(SiClCC)(SiC3)(NSiP)	117.6420	0.000	1	117.6420	0.000	1	118.1030	0.425	2	118.1030	0.425	2	117.5708	3.148	17	117.5708	3.148	17
956	880	956	0:SP2_SP3_SP3	N	Si	N	4:3:1:	3:3:2:1:	3:4:4:	Si-4:N-3:H-1:	C[6a]-3:N-3:N-2:Cl-1:	N-3:C-4:C-4:	N(SiC[6a]ClN)(NCC)(H)	Si(C[6a]C[6a]2)(NHN)(NN)(Cl)	N(NSiH)(CH3)2	N(SiC[6a]ClN)(NCC)(H)	Si(C[6a]C[6a]2)(NHN)(NN)(Cl)	N(NSiH)(CH3)2	119.3480	0.000	1	119.3480	0.000	1	119.3480	0.000	1	119.2185	0.034	2	114.0473	76.949	14	114.0473	76.949	14
956	880	956	0:SP2_SP3_SP3	N	Si	N	4:3:1:	3:3:2:1:	3:4:4:	Si-4:N-3:H-1:	N-3:N-3:N-2:H-1:	N-3:C-4:C-4:	N(SiHNN)(NCC)(H)	Si(NSiN)(NHN)(NN)(H)	N(NSiH)(CH3)2	N(SiHNN)(NCC)(H)	Si(NSiN)(NHN)(NN)(H)	N(NSiH)(CH3)2	119.0890	0.000	1	119.0890	0.000	1	119.0890	0.000	1	119.2185	0.034	2	114.0473	76.949	14	114.0473	76.949	14
956	880	956	0:SP2_SP3_SP3	N	Si	N	4:3:2:	4:4:4:3:	4:4:3:	Si-4:N-3:P-2:	C-4:C-4:C-4:N-3:	Si-4:Si-4:N-3:	N(SiC3)(NSi2)(PP)	Si(CH3)3(NNP)	N(SiC3)2(NSiP)	N(SiC3)(NSi2)(PP)	Si(CH3)3(NNP)	N(SiC3)2(NSiP)	121.7740	0.000	1	121.7740	0.000	1	121.7740	0.000	1	121.7740	0.000	1	114.0473	76.949	14	114.0473	76.949	14
956	880	956	0:SP2_SP3_SP3	N	Si	N	4:3:3:	3:4:4:4:	3:4:4:	Si-4:In-3:N-3:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:	N(SiC3)(InNN)(NCC)	Si(NInN)(CH3)3	N(NInSi)(CH3)2	N(SiC3)(InNN)(NCC)	Si(NInN)(CH3)3	N(NInSi)(CH3)2	110.2286	0.398	5	110.2286	0.159	5	110.2286	0.159	5	110.2286	0.159	5	114.0473	76.949	14	114.0473	76.949	14
956	880	956	0:SP2_SP3_SP3	N	Si	N	4:4:3:	3:3:1:1:	3:4:4:	Si-4:Si-4:N-3:	C[6a]-3:N-3:F-1:F-1:	N-3:C-4:C-4:	N(SiC[6a]FF)(SiC3)(NCC)	Si(C[6a]C[6a]2)(NSiN)(F)2	N(NSi2)(CH3)2	N(SiC[6a]FF)(SiC3)(NCC)	Si(C[6a]C[6a]2)(NSiN)(F)2	N(NSi2)(CH3)2	90.3620	0.000	1	90.3620	0.000	1	90.3620	0.000	1	90.3620	0.000	1	114.0473	76.949	14	114.0473	76.949	14
956	880	956	0:SP2_SP3_SP3	N	Si	N	4:4:3:	3:4:4:4:	3:4:4:	Si-4:Si-4:N-3:	N-3:C-4:C-4:C-4:	N-3:C-4:C-4:	N(SiC[6a]FF)(SiC3)(NCC)	Si(NSiN)(CH3)3	N(NSi2)(CH3)2	N(SiC[6a]FF)(SiC3)(NCC)	Si(NSiN)(CH3)3	N(NSi2)(CH3)2	128.3760	0.000	1	128.3760	0.000	1	128.3760	0.000	1	128.3760	0.000	1	114.0473	76.949	14	114.0473	76.949	14
956	880	956	0:SP2_SP3_SP3	N	Si	N	4:4:3:	3:4:4:4:	4:3:3:	Si-4:Si-4:N-3:	N-3:C-4:C-4:C-4:	Si-4:N-3:P-3:	N(SiC3)2(NSiP)	Si(NSiN)(CH3)3	N(SiC3)(NSi2)(PClP)	N(SiC3)2(NSiP)	Si(NSiN)(CH3)3	N(SiC3)(NSi2)(PClP)	115.5490	2.946	2	115.5490	8.678	2	115.5490	8.678	2	115.5490	8.678	2	114.0473	76.949	14	114.0473	76.949	14
956	880	956	0:SP2_SP3_SP3	N	Si	N	4:4:3:	3:4:4:4:	4:4:3:	Si-4:Si-4:N-3:	N-3:C-4:C-4:C-4:	P-4:Si-4:N-3:	N(SiC3)2(NSiP)	Si(NSiN)(CH3)3	N(PClGaC)(SiC3)(NSi2)	N(SiC3)2(NSiP)	Si(NSiN)(CH3)3	N(PClGaC)(SiC3)(NSi2)	117.7360	2.621	2	117.7360	6.867	2	117.7360	6.867	2	117.7360	6.867	2	114.0473	76.949	14	114.0473	76.949	14
956	880	956	0:SP3_SP2_SP3	N	Si	N	4:3:3:	4:4:4:3:	4:4:3:	Si-4:N-3:P-3:	C-4:C-4:C-4:N-3:	Si-4:Si-4:N-3:	N(SiC3)(NSi2)(PClP)	Si(CH3)3(NNP)	N(SiC3)2(NSiP)	N(SiC3)(NSi2)(PClP)	Si(CH3)3(NNP)	N(SiC3)2(NSiP)	115.8210	0.000	1	115.8210	0.000	1	115.8210	0.000	1	115.8210	0.000	1	117.2653	3.975	3	117.2653	3.975	3
956	880	956	0:SP3_SP2_SP3	N	Si	N	4:4:3:	3:4:4:4:	4:3:2:	Si-4:Si-4:N-3:	N-3:C-4:C-4:C-4:	Si-4:N-3:P-2:	N(SiC3)2(NSiP)	Si(NSiN)(CH3)3	N(SiC3)(NSi2)(PP)	N(SiC3)2(NSiP)	Si(NSiN)(CH3)3	N(SiC3)(NSi2)(PP)	116.4350	0.000	1	116.4350	0.000	1	116.4350	0.000	1	116.4350	0.000	1	117.2653	3.975	3	117.2653	3.975	3
956	880	956	0:SP3_SP2_SP3	N	Si	N	4:4:3:	4:4:4:3:	4:4:3:	P-4:Si-4:N-3:	C-4:C-4:C-4:N-3:	Si-4:Si-4:N-3:	N(PClGaC)(SiC3)(NSi2)	Si(CH3)3(NNP)	N(SiC3)2(NSiP)	N(PClGaC)(SiC3)(NSi2)	Si(CH3)3(NNP)	N(SiC3)2(NSiP)	119.5400	0.000	1	119.5400	0.000	1	119.5400	0.000	1	119.5400	0.000	1	117.2653	3.975	3	117.2653	3.975	3
956	880	956	0:SP3_SP3_SP3	N	Si	N	4:3:1:	3:3:2:2:	3:4:4:	Si-4:N-3:H-1:	N-3:N-3:N-2:N-2:	N-3:C-4:C-4:	N(SiN3)(NCC)(H)	Si(NHN)2(NN)2	N(NSiH)(CH3)2	N(SiN3)(NCC)(H)	Si(NHN)2(NN)2	N(NSiH)(CH3)2	120.7220	0.000	1	120.7220	0.000	1	120.7220	0.000	1	120.7220	0.000	1	118.1896	16.258	18	118.1896	16.258	18
956	880	956	0:SP3_SP3_SP3	N	Si	N	4:3:1:	3:3:3:1:	3:4:4:	Si-4:N-3:H-1:	N-3:N-3:N-3:H-1:	N-3:C-4:C-4:	N(SiHNN)(NCC)(H)	Si(NSiN)(NHN)2(H)	N(NSiH)(CH3)2	N(SiHNN)(NCC)(H)	Si(NSiN)(NHN)2(H)	N(NSiH)(CH3)2	120.4105	0.145	2	120.4105	0.021	2	120.4105	0.021	2	120.4105	0.021	2	118.1896	16.258	18	118.1896	16.258	18
956	880	956	0:SP3_SP3_SP3	N	Si	N	4:3:1:	3:3:3:3:	3:4:4:	Si-4:N-3:H-1:	C[6a]-3:C[6a]-3:N-3:N-3:	N-3:C-4:C-4:	N(SiC[6a]2N)(NCC)(H)	Si(C[6a]C[6a]2)2(NHN)2	N(NSiH)(CH3)2	N(SiC[6a]2N)(NCC)(H)	Si(C[6a]C[6a]2)2(NHN)2	N(NSiH)(CH3)2	121.8060	1.745	2	121.8060	3.046	2	121.8060	3.046	2	121.2785	1.731	4	118.1896	16.258	18	118.1896	16.258	18
956	880	956	0:SP3_SP3_SP3	N	Si	N	4:3:1:	3:3:3:3:	3:4:4:	Si-4:N-3:H-1:	N-3:N-3:N-3:N-3:	N-3:C-4:C-4:	N(SiN3)(NCC)(H)	Si(NHN)4	N(NSiH)(CH3)2	N(SiN3)(NCC)(H)	Si(NHN)4	N(NSiH)(CH3)2	120.7510	1.017	2	120.7510	1.034	2	120.7510	1.034	2	121.2785	1.731	4	118.1896	16.258	18	118.1896	16.258	18
956	880	956	0:SP3_SP3_SP3	N	Si	N	4:3:2:	4:4:4:3:	4:4:3:	Si-4:N-3:P-2:	C-4:C-4:C-4:N-3:	Si-4:Si-4:N-3:	N(SiC3)(NSi2)(PN)	Si(CH3)3(NNP)	N(SiC3)2(NSiP)	N(SiC3)(NSi2)(PN)	Si(CH3)3(NNP)	N(SiC3)2(NSiP)	119.4150	0.000	1	119.4150	0.000	1	120.7610	3.623	2	120.7610	3.623	2	118.1896	16.258	18	118.1896	16.258	18
956	880	956	0:SP3_SP3_SP3	N	Si	N	4:3:2:	4:4:4:3:	4:4:3:	Si-4:N-3:P-2:	C-4:C-4:C-4:N-3:	Si-4:Si-4:N-3:	N(SiC3)(NSi2)(PP)	Si(CH3)3(NNP)	N(SiC3)2(NSiP)	N(SiC3)(NSi2)(PP)	Si(CH3)3(NNP)	N(SiC3)2(NSiP)	122.1070	0.000	1	122.1070	0.000	1	120.7610	3.623	2	120.7610	3.623	2	118.1896	16.258	18	118.1896	16.258	18
956	880	956	0:SP3_SP3_SP3	N	Si	N	4:4:3:	3:2:2:1:	3:4:4:	Si-4:Si-4:N-3:	N-3:N-2:N-2:H-1:	N-3:C-4:C-4:	N(SiHNN)2(NCC)	Si(NSiN)(NN)2(H)	N(NSi2)(CH3)2	N(SiHNN)2(NCC)	Si(NSiN)(NN)2(H)	N(NSi2)(CH3)2	109.3905	0.333	2	109.3905	0.111	2	109.3905	0.111	2	109.3905	0.111	2	118.1896	16.258	18	118.1896	16.258	18
956	880	956	0:SP3_SP3_SP3	N	Si	N	4:4:3:	3:3:2:1:	3:4:4:	Si-4:Si-4:N-3:	N-3:N-3:N-2:H-1:	N-3:C-4:C-4:	N(SiHNN)2(NCC)	Si(NSiN)(NHN)(NN)(H)	N(NSi2)(CH3)2	N(SiHNN)2(NCC)	Si(NSiN)(NHN)(NN)(H)	N(NSi2)(CH3)2	121.4080	0.000	1	121.4080	0.000	1	121.4080	0.000	1	121.4080	0.000	1	118.1896	16.258	18	118.1896	16.258	18
956	880	956	0:SP3_SP3_SP3	N	Si	N	4:4:3:	3:3:3:1:	3:4:4:	Si-4:Si-4:N-3:	N-3:N-3:N-3:H-1:	N-3:C-4:C-4:	N(SiHNN)2(NCC)	Si(NSiN)(NHN)2(H)	N(NSi2)(CH3)2	N(SiHNN)2(NCC)	Si(NSiN)(NHN)2(H)	N(NSi2)(CH3)2	120.2780	0.000	1	120.2780	0.000	1	120.2780	0.000	1	120.2780	0.000	1	118.1896	16.258	18	118.1896	16.258	18
956	880	956	0:SP3_SP3_SP3	N	Si	N	4:4:3:	3:4:4:4:	4:3:2:	Si-4:Si-4:N-3:	N-3:C-4:C-4:C-4:	Si-4:N-3:P-2:	N(SiC3)2(NSiP)	Si(NSiN)(CH3)3	N(SiC3)(NSi2)(PN)	N(SiC3)2(NSiP)	Si(NSiN)(CH3)3	N(SiC3)(NSi2)(PN)	115.6390	0.549	2	115.6390	0.301	2	115.7534	0.130	5	115.7534	0.130	5	118.1896	16.258	18	118.1896	16.258	18
956	880	956	0:SP3_SP3_SP3	N	Si	N	4:4:3:	3:4:4:4:	4:3:2:	Si-4:Si-4:N-3:	N-3:C-4:C-4:C-4:	Si-4:N-3:P-2:	N(SiC3)2(NSiP)	Si(NSiN)(CH3)3	N(SiC3)(NSi2)(PP)	N(SiC3)2(NSiP)	Si(NSiN)(CH3)3	N(SiC3)(NSi2)(PP)	115.8297	0.296	3	115.8297	0.087	3	115.7534	0.130	5	115.7534	0.130	5	118.1896	16.258	18	118.1896	16.258	18
956	880	957	0:SP2_SP1_SP3	N	Si	Si	3:2:4:	3:4:4:4:	3:3:	C[6a]-3:Si-2:Si-4:	N-3:C-4:C-4:C-4:	B[5a]-3:N-3:	N(C[6a]C[6a]2)(SiB[5a])(SiC3)	Si(NC[6a]Si)(CH3)3	Si(B[5a]N[5a]2)(NC[6a]Si)	N(C[6a]C[6a]2)(SiB[5a])(SiC3)	Si(NC[6a]Si)(CH3)3	Si(B[5a]N[5a]2)(NC[6a]Si)	130.7310	0.000	1	130.7310	0.000	1	130.7310	0.000	1	130.7310	0.000	1	127.1063	10.361	3	127.1063	10.361	3
956	880	957	0:SP2_SP1_SP3	N	Si	Si	3:4:2:	3:4:4:4:	3:3:	B[5a]-3:Si-4:Si-2:	N-3:C-4:C-4:C-4:	N-3:N-3:	N(B[5a]N[5a]2)(SiC3)(SiN)	Si(NB[5a]Si)(CH3)3	Si(NB[5a]Si)2	N(B[5a]N[5a]2)(SiC3)(SiN)	Si(NB[5a]Si)(CH3)3	Si(NB[5a]Si)2	125.2940	1.007	2	125.2940	1.014	2	125.2940	1.014	2	125.2940	1.014	2	127.1063	10.361	3	127.1063	10.361	3
956	880	969	0:SP2_SP-NON_SP3	N	Si	Ga	4:3:4:	4:3:4:4:	3:1:1:	Si-4:Ga-3:C-4:	C[5]-4:N-3:C-4:C-4:	N-3:Cl-1:Cl-1:	N(SiC[5]CC)(GaCl2)(CC3)	Si(C[5]C[5]2Ga)(NGaC)(CH3)2	Ga(NSiC)(Cl)2	N(SiC[5]CC)(GaCl2)(CC3)	Si(C[5]C[5]2Ga)(NGaC)(CH3)2	Ga(NSiC)(Cl)2	115.3160	0.000	2	115.3160	0.000	2	115.3160	0.000	2	115.3160	0.000	2	115.3160	0.000	2	115.3160	0.000	2
956	880	979	0:SP2_SP2_SP3	N	Si	Si	3:3:4:	3:4:4:4:	3:3:1:	C[6a]-3:Si-3:Si-4:	N-3:C-4:C-4:C-4:	C[5]-3:N-3:Cl-1:	N(C[6a]C[6a]2)(SiC[5]Cl)(SiC3)	Si(NC[6a]Si)(CH3)3	Si(C[5]N[5]2)(NC[6a]Si)(Cl)	N(C[6a]C[6a]2)(SiC[5]Cl)(SiC3)	Si(NC[6a]Si)(CH3)3	Si(C[5]N[5]2)(NC[6a]Si)(Cl)	111.8930	0.000	1	111.8930	0.000	1	111.8930	0.000	1	111.8930	0.000	1	118.1906	20.037	7	118.1906	20.037	7
956	880	979	0:SP2_SP2_SP3	N	Si	Si	3:3:4:	3:4:4:4:	3:3:3:	C[6a]-3:Si-3:Si-4:	N-3:C-4:C-4:C-4:	C[5]-3:N-3:P-3:	N(C[6a]C[6a]2)(SiC[5]P)(SiC3)	Si(NC[6a]Si)(CH3)3	Si(C[5]N[5]2)(NC[6a]Si)(PC[6a]2)	N(C[6a]C[6a]2)(SiC[5]P)(SiC3)	Si(NC[6a]Si)(CH3)3	Si(C[5]N[5]2)(NC[6a]Si)(PC[6a]2)	111.8620	0.000	1	111.8620	0.000	1	111.8620	0.000	1	111.8620	0.000	1	118.1906	20.037	7	118.1906	20.037	7
956	880	979	0:SP2_SP2_SP3	N	Si	Si	3:4:3:	3:4:4:4:	3:2:1:	C[6a]-3:Si-4:Si-3:	N-3:C-4:C-4:C-4:	N-3:P-2:H-1:	N(C[6a]C[6a]2)(SiC3)(SiHP)	Si(NC[6a]Si)(CH3)3	Si(NC[6a]Si)(PC[6a])(H)	N(C[6a]C[6a]2)(SiC3)(SiHP)	Si(NC[6a]Si)(CH3)3	Si(NC[6a]Si)(PC[6a])(H)	122.3350	0.000	1	122.3350	0.000	1	122.3350	0.000	1	122.3350	0.000	1	118.1906	20.037	7	118.1906	20.037	7
956	880	979	0:SP2_SP2_SP3	N	Si	Si	3:4:4:	3:4:4:4:	4:3:3:	Si-3:Si-4:Si-4:	N-3:C-4:C-4:C-4:	C[5]-4:Si-3:N-3:	N(SiC[5]Si)(SiC3)2	Si(NSi2)(CH3)3	Si(C[5]C[5]2C)(SiC[5]N)(NSi2)	N(SiC[5]Si)(SiC3)2	Si(NSi2)(CH3)3	Si(C[5]C[5]2C)(SiC[5]N)(NSi2)	120.3110	1.335	4	120.3110	1.783	4	120.3110	1.783	4	120.3110	1.783	4	118.1906	20.037	7	118.1906	20.037	7
956	880	981	0:SP2_SP3_SP3	N	Si	B[3a]	4:4:4:	3:4:4:4:	3:3:3:3:	B[3a]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	C[3a]-3:C[3a]-3:C[5]-3:N-3:	N(B[3a]C[3a]2C[5])(SiC3)2	Si(NB[3a]Si)(CH3)3	B[3a](C[3a]C[3a]B)2(C[5]N[5]2)(NSi2)	N(B[3a]C[3a]2C[5])(SiC3)2	Si(NB[3a]Si)(CH3)3	B[3a](C[3a]C[3a]B)2(C[5]N[5]2)(NSi2){2|C<3>,2|C<4>}	119.6475	1.643	2	119.6475	2.698	2	119.6475	2.698	2	119.6475	2.698	2	119.6475	2.698	2	119.6475	2.698	2
956	880	981	0:SP3_SP3_SP3	N	Si	B[3a]	4:4:4:	3:4:4:4:	3:3:3:3:	B[3a]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	C[3a]-3:C[3a]-3:C[5]-3:N-3:	N(B[3a]C[3a]2C[5])(SiC3)2	Si(NB[3a]Si)(CH3)3	B[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]B)(C[5]N[5]2)(NSi2)	N(B[3a]C[3a]2C[5])(SiC3)2	Si(NB[3a]Si)(CH3)3	B[3a](C[3a]C[3a]C[6a])(C[3a]C[3a]B)(C[5]N[5]2)(NSi2){2|C<4>,4|C<3>}	120.7785	3.632	2	120.7785	13.194	2	119.9245	10.484	4	119.9245	10.484	4	119.9245	10.484	4	119.9245	10.484	4
956	880	981	0:SP3_SP3_SP3	N	Si	B[3a]	4:4:4:	3:4:4:4:	3:3:3:3:	B[3a]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	C[3a]-3:C[3a]-3:C[5]-3:N-3:	N(B[3a]C[3a]2C[5])(SiC3)2	Si(NB[3a]Si)(CH3)3	B[3a](C[3a]C[3a]Si)(C[3a]C[3a]B)(C[5]N[5]2)(NSi2)	N(B[3a]C[3a]2C[5])(SiC3)2	Si(NB[3a]Si)(CH3)3	B[3a](C[3a]C[3a]Si)(C[3a]C[3a]B)(C[5]N[5]2)(NSi2){2|C<3>,2|C<4>}	119.0705	3.917	2	119.0705	15.340	2	119.9245	10.484	4	119.9245	10.484	4	119.9245	10.484	4	119.9245	10.484	4
956	880	983	0:SP2_SP1_SP3	N	Si	C	4:4:2:	4:4:4:3:	3:1:	C-4:Si-4:C-2:	C-4:C-4:C-4:N-3:	N-3:P-1:	N(CCCH)(SiC3)(CP)	Si(CH3)3(NCC)	C(NSiC)(P)	N(CCCH)(SiC3)(CP)	Si(CH3)3(NCC)	C(NSiC)(P)	123.4780	0.000	1	123.4780	0.000	1	123.4780	0.000	1	123.4780	0.000	1	123.4780	0.000	1	123.4780	0.000	1
956	880	984	0:SP2_SP-NON_SP3	N	Si	Ga	4:4:4:	3:4:4:4:	4:3:3:1:	Ga-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N[3x6]-4:N-3:N-3:H-1:	N(GaN[3x6]HN)(SiC3)2	Si(NGaSi)(CH3)3	Ga(N[3x6]C[6,6]3)(NSi2)2(H)	N(GaN[3x6]HN)(SiC3)2	Si(NGaSi)(CH3)3	Ga(N[3x6]C[6,6]3)(NSi2)2(H)	120.4630	12.257	4	120.4630	150.230	4	120.4630	150.230	4	120.4630	150.230	4	120.4630	150.230	4	120.4630	150.230	4
956	880	984	0:SP3_SP-NON_SP3	N	Si	Ga	4:4:4:	3:4:4:3:	3:4:1:1:	Ga-4:Si-4:C-4:	N-3:C-4:C-4:N-3:	N-3:P-4:Cl-1:Cl-1:	N(GaCl2P)(SiCCN)(CC3)	Si(NGaC)(CH3)2(NCC)	Ga(NSiC)(PC3)(Cl)2	N(GaCl2P)(SiCCN)(CC3)	Si(NGaC)(CH3)2(NCC)	Ga(NSiC)(PC3)(Cl)2	106.9400	0.000	1	106.9400	0.000	1	106.9400	0.000	1	106.9400	0.000	1	115.0522	24.251	5	115.0522	24.251	5
956	880	984	0:SP3_SP-NON_SP3	N	Si	Ga	4:4:4:	3:4:4:4:	3:3:1:1:	Ga-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	C[5]-3:N-3:Cl-1:Cl-1:	N(GaC[5]Cl2)(SiC3)2	Si(NGaSi)(CH3)3	Ga(C[5]N[5]2)(NSi2)(Cl)2	N(GaC[5]Cl2)(SiC3)2	Si(NGaSi)(CH3)3	Ga(C[5]N[5]2)(NSi2)(Cl)2	115.9800	0.802	2	115.9800	0.643	2	115.9800	0.643	2	115.9800	0.643	2	115.0522	24.251	5	115.0522	24.251	5
956	880	984	0:SP3_SP-NON_SP3	N	Si	Ga	4:4:4:	3:4:4:4:	3:3:4:1:	Ga-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	O[5]-3:N-3:C-4:Cl-1:	N(GaO[5]ClC)(SiC3)2	Si(NGaSi)(CH3)3	Ga(O[5]Ga[5]C[5])(NSi2)(CH3)(Cl)	N(GaO[5]ClC)(SiC3)2	Si(NGaSi)(CH3)3	Ga(O[5]Ga[5]C[5])(NSi2)(CH3)(Cl)	118.1805	3.043	2	118.1805	9.258	2	118.1805	9.258	2	118.1805	9.258	2	115.0522	24.251	5	115.0522	24.251	5
956	880	990	0:SP2_SP2_SP3	N	Si	As	4:4:2:	3:4:4:4:	3:3:	Si-4:Si-4:As-2:	N-3:C-4:C-4:C-4:	N-3:N-3:	N(SiC3)2(AsN)	Si(NAsSi)(CH3)3	As(NSi2)2	N(SiC3)2(AsN)	Si(NAsSi)(CH3)3	As(NSi2)2	118.4762	6.662	4	118.4762	44.377	4	118.4762	44.377	4	118.4762	44.377	4	118.4762	44.377	4	118.4762	44.377	4
956	880	992	0:SP2_SP3_SP3	N	Si	P	4:4:1:	4:4:4:3:	3:3:3:3:	P-4:Si-4:H-1:	C-4:C-4:C-4:N-3:	C[6a]-3:C[6a]-3:C-3:N-3:	N(PC[6a]2C)(SiC3)(H)	Si(CH3)3(NHP)	P(C[6a]C[6a]2)2(CTeP)(NSiH)	N(PC[6a]2C)(SiC3)(H)	Si(CH3)3(NHP)	P(C[6a]C[6a]2)2(CTeP)(NSiH)	136.4180	0.000	1	136.4180	0.000	1	136.4180	0.000	1	136.4180	0.000	1	130.5213	26.404	4	130.5213	26.404	4
956	880	992	0:SP2_SP3_SP3	N	Si	P	4:4:1:	4:4:4:3:	3:3:4:3:	P-4:Si-4:H-1:	C-4:C-4:C-4:N-3:	C[6a]-3:C[6a]-3:C-4:N-3:	N(PC[6a]2C)(SiC3)(H)	Si(CH3)3(NHP)	P(C[6a]C[6a]2)2(CHHP)(NSiH)	N(PC[6a]2C)(SiC3)(H)	Si(CH3)3(NHP)	P(C[6a]C[6a]2)2(CHHP)(NSiH)	133.2350	0.000	1	133.2350	0.000	1	133.2350	0.000	1	133.2350	0.000	1	130.5213	26.404	4	130.5213	26.404	4
956	880	992	0:SP2_SP3_SP3	N	Si	P	4:4:3:	4:4:4:3:	3:4:3:4:	P-4:Si-4:N-3:	C-4:C-4:C-4:N-3:	C[6a]-3:Ga-4:N-3:C-4:	N(PC[6a]GaC)(SiC3)(NSi2)	Si(CH3)3(NNP)	P(C[6a]C[6a]2)(GaCl3)(NSiN)(CH3)	N(PC[6a]GaC)(SiC3)(NSi2)	Si(CH3)3(NNP)	P(C[6a]C[6a]2)(GaCl3)(NSiN)(CH3)	126.2160	0.076	2	126.2160	0.006	2	126.2160	0.006	2	126.2160	0.006	2	130.5213	26.404	4	130.5213	26.404	4
956	880	992	0:SP3_SP3_SP3	N	Si	P	4:4:1:	4:4:4:3:	3:3:2:3:	P-4:Si-4:H-1:	C-4:C-4:C-4:N-3:	C[6a]-3:C[6a]-3:C-2:N-3:	N(PC[6a]2C)(SiC3)(H)	Si(CH3)3(NHP)	P(C[6a]C[6a]2)2(CC[6a])(NSiH)	N(PC[6a]2C)(SiC3)(H)	Si(CH3)3(NHP)	P(C[6a]C[6a]2)2(CC[6a])(NSiH)	130.8730	0.000	1	130.8730	0.000	1	130.8730	0.000	1	130.8730	0.000	1	123.4651	70.527	7	123.4651	70.527	7
956	880	992	0:SP3_SP3_SP3	N	Si	P	4:4:1:	4:4:4:3:	3:3:3:3:	P-4:Si-4:H-1:	C-4:C-4:C-4:N-3:	C[6a]-3:C[6a]-3:N-3:C-3:	N(PC[6a]2C)(SiC3)(H)	Si(CH3)3(NHP)	P(C[6a]C[6a]2)2(NSiH)(CCP)	N(PC[6a]2C)(SiC3)(H)	Si(CH3)3(NHP)	P(C[6a]C[6a]2)2(NSiH)(CCP)	138.8700	0.000	1	138.8700	0.000	1	138.8700	0.000	1	138.8700	0.000	1	123.4651	70.527	7	123.4651	70.527	7
956	880	992	0:SP3_SP3_SP3	N	Si	P	4:4:3:	4:4:4:3:	4:3:4:1:	P-4:Si-4:N-3:	C-4:C-4:C-4:N-3:	Ga-4:N-3:C-4:Cl-1:	N(PClGaC)(SiC3)(NSi2)	Si(CH3)3(NNP)	P(GaCl3)(NSiN)(CH3)(Cl)	N(PClGaC)(SiC3)(NSi2)	Si(CH3)3(NNP)	P(GaCl3)(NSiN)(CH3)(Cl)	122.6020	0.000	1	122.6020	0.000	1	122.6020	0.000	1	122.6020	0.000	1	123.4651	70.527	7	123.4651	70.527	7
956	880	992	0:SP3_SP3_SP3	N	Si	P	4:4:4:	3:4:4:4:	3:3:2:1:	P-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:N-3:O-2:S-1:	N(PNOS)(SiC3)2	Si(NSiP)(CH3)3	P(NSi2)(NCH)(OC)(S)	N(PNOS)(SiC3)2	Si(NSiP)(CH3)3	P(NSi2)(NCH)(OC)(S)	117.6820	3.000	2	117.6820	8.997	2	117.6820	8.997	2	117.6820	8.997	2	123.4651	70.527	7	123.4651	70.527	7
956	880	992	0:SP3_SP3_SP3	N	Si	P	4:4:4:	3:4:4:4:	3:3:2:2:	P-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:N-3:S-2:O-2:	N(PNOS)(SiC3)2	Si(NSiP)(CH3)3	P(NMoC)(NSi2)(SMo)(OC)	N(PNOS)(SiC3)2	Si(NSiP)(CH3)3	P(NMoC)(NSi2)(SMo)(OC)	118.2735	0.664	2	118.2735	0.441	2	118.2735	0.441	2	118.2735	0.441	2	123.4651	70.527	7	123.4651	70.527	7
956	880	996	0:SP2_SP3_SP3	N	Si	Si[4,6]	4:4:4:	3:4:4:4:	4:4:3:1:	Si[4,6]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	Si[3,4,6]-4:C[4,5,6]-4:N-3:Cl-1:	N(Si[4,6]Si[3,4,6]C[4,5,6]Cl)(SiC3)2	Si(NSi[4,6]Si)(CH3)3	Si[4,6](Si[3,4,6]C[3,4,5]C[3,5,6]N)(C[4,5,6]C[3,4,5]C[5,6]C)(NSi2)(Cl)	N(Si[4,6]Si[3,4,6]C[4,5,6]Cl)(SiC3)2	Si(NSi[4,6]Si)(CH3)3	Si[4,6](Si[3,4,6]C[3,4,5]C[3,5,6]N)(C[4,5,6]C[3,4,5]C[5,6]C)(NSi2)(Cl){1|C<3>,3|C<4>}	119.5425	4.823	2	119.5425	23.263	2	119.5425	23.263	2	119.5425	23.263	2	119.5425	23.263	2	121.4635	9.153	13
956	880	996	0:SP2_SP3_SP3	N	Si	Si[4]	4:3:4:	3:4:4:4:	3:3:3:1:	Si[4]-4:Ge-3:Si-4:	N-3:C-4:C-4:C-4:	N[4]-3:N[4]-3:N-3:Cl-1:	N(Si[4]N[4]2Cl)(GeCl2)(SiC3)	Si(NSi[4]Ge)(CH3)3	Si[4](N[4]C[4]C)2(NGeSi)(Cl)	N(Si[4]N[4]2Cl)(GeCl2)(SiC3)	Si(NSi[4]Ge)(CH3)3	Si[4](N[4]C[4]C)2(NGeSi)(Cl){1|C<3>}	123.5620	0.000	1	123.5620	0.000	1	123.5620	0.000	1	123.5620	0.000	1	121.8127	7.785	11	121.4635	9.153	13
956	880	996	0:SP2_SP3_SP3	N	Si	Si[4]	4:3:4:	3:4:4:4:	4:4:3:1:	Si[4]-4:C[6a]-3:Si-4:	N-3:C-4:C-4:C-4:	C[4,6]-4:Si[4]-4:N-3:Br-1:	N(Si[4]C[4,6]Si[4]Br)(C[6a]C[6a]2)(SiC3)	Si(NC[6a]Si[4])(CH3)3	Si[4](C[4,6]C[4,6]C[6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br)	N(Si[4]C[4,6]Si[4]Br)(C[6a]C[6a]2)(SiC3)	Si(NC[6a]Si[4])(CH3)3	Si[4](C[4,6]C[4,6]C[6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br){2|C<3>,2|H<1>}	124.4680	0.000	1	124.4680	0.000	1	124.2430	0.101	2	124.2430	0.101	2	121.8127	7.785	11	121.4635	9.153	13
956	880	996	0:SP2_SP3_SP3	N	Si	Si[4]	4:3:4:	3:4:4:4:	4:4:3:1:	Si[4]-4:C[6a]-3:Si-4:	N-3:C-4:C-4:C-4:	C[4,6]-4:Si[4]-4:N-3:Br-1:	N(Si[4]C[4,6]Si[4]Br)(C[6a]C[6a]2)(SiC3)	Si(NC[6a]Si[4])(CH3)3	Si[4](C[4,6]C[6,6a]C[4,6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br)	N(Si[4]C[4,6]Si[4]Br)(C[6a]C[6a]2)(SiC3)	Si(NC[6a]Si[4])(CH3)3	Si[4](C[4,6]C[6,6a]C[4,6]H)(Si[4]C[4,6]BrN)(NC[6a]Si)(Br){1|H<1>,3|C<3>}	124.0180	0.000	1	124.0180	0.000	1	124.2430	0.101	2	124.2430	0.101	2	121.8127	7.785	11	121.4635	9.153	13
956	880	996	0:SP2_SP3_SP3	N	Si	Si[4]	4:4:4:	3:4:4:4:	3:3:3:1:	Si[4]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N[4]-3:N[4]-3:N-3:Cl-1:	N(Si[4]N[4]2Cl)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si[4](N[4]C[4]C)2(NSi2)(Cl)	N(Si[4]N[4]2Cl)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si[4](N[4]C[4]C)2(NSi2)(Cl){1|C<3>}	120.7100	0.686	2	120.7100	0.470	2	120.7100	0.470	2	120.7100	0.470	2	121.8127	7.785	11	121.4635	9.153	13
956	880	996	0:SP2_SP3_SP3	N	Si	Si[4]	4:4:4:	3:4:4:4:	3:3:3:2:	Si[4]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N[4]-3:N[4]-3:N-3:O-2:	N(Si[4]N[4]2O)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si[4](N[4]C[4]C)2(NSi2)(OB)	N(Si[4]N[4]2O)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si[4](N[4]C[4]C)2(NSi2)(OB){1|C<3>}	119.6910	6.071	2	119.6910	36.860	2	119.6910	36.860	2	121.0787	11.347	6	121.8127	7.785	11	121.4635	9.153	13
956	880	996	0:SP2_SP3_SP3	N	Si	Si[4]	4:4:4:	3:4:4:4:	3:3:3:2:	Si[4]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N[4]-3:N[4]-3:N-3:Se-2:	N(Si[4]N[4]2Se)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si[4](N[4]C[4]C)2(NSi2)(SeCu)	N(Si[4]N[4]2Se)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si[4](N[4]C[4]C)2(NSi2)(SeCu){1|C<3>}	121.7725	2.168	4	121.7725	4.700	4	121.7725	4.700	4	121.0787	11.347	6	121.8127	7.785	11	121.4635	9.153	13
956	880	996	0:SP3_SP3_SP3	N	Si	Si[4]	4:4:4:	3:4:4:4:	3:3:3:1:	Si[4]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N[4]-3:N[4]-3:N-3:Cl-1:	N(Si[4]N[4]2Cl)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si[4](N[4]C[4]C)2(NSi2)(Cl)	N(Si[4]N[4]2Cl)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si[4](N[4]C[4]C)2(NSi2)(Cl){1|C<3>}	120.9075	0.721	2	120.9075	0.519	2	120.9075	0.519	2	121.3280	12.271	6	119.9850	20.039	11	119.9850	20.039	11
956	880	996	0:SP3_SP3_SP3	N	Si	Si[4]	4:4:4:	3:4:4:4:	3:3:3:1:	Si[4]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N[4]-3:N[4]-3:N-3:Se-1:	N(Si[4]N[4]2Se)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si[4](N[4]C[4]C)2(NSi2)(Se)	N(Si[4]N[4]2Se)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si[4](N[4]C[4]C)2(NSi2)(Se){1|C<3>}	121.5383	4.484	4	121.5383	20.103	4	121.5383	20.103	4	121.3280	12.271	6	119.9850	20.039	11	119.9850	20.039	11
956	880	996	0:SP3_SP3_SP3	N	Si	Si[4]	4:4:4:	3:4:4:4:	3:3:3:2:	C[3x6]-4:Si[4]-4:Si-4:	N-3:C-4:C-4:C-4:	N-3:N[4]-3:N[4]-3:N-2:	N(C[3x6]C[6,6]3)(Si[4]N[4]2N)(SiC3)	Si(NC[3x6]Si[4])(CH3)3	Si[4](NC[3x6]Si)(N[4]C[4]C)2(NSi)	N(C[3x6]C[6,6]3)(Si[4]N[4]2N)(SiC3)	Si(NC[3x6]Si[4])(CH3)3	Si[4](NC[3x6]Si)(N[4]C[4]C)2(NSi){1|C<3>}	111.6350	0.000	1	111.6350	0.000	1	111.6350	0.000	1	118.3734	28.807	5	119.9850	20.039	11	119.9850	20.039	11
956	880	996	0:SP3_SP3_SP3	N	Si	Si[4]	4:4:4:	3:4:4:4:	3:3:3:2:	Si[4]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N[4]-3:N[4]-3:N-3:O-2:	N(Si[4]N[4]2O)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si[4](N[4]C[4]C)2(NSi2)(OB)	N(Si[4]N[4]2O)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si[4](N[4]C[4]C)2(NSi2)(OB){1|C<3>}	119.6935	6.502	2	119.6935	42.274	2	119.6935	42.274	2	118.3734	28.807	5	119.9850	20.039	11	119.9850	20.039	11
956	880	996	0:SP3_SP3_SP3	N	Si	Si[4]	4:4:4:	3:4:4:4:	3:3:3:2:	Si[4]-4:Si-4:Si-4:	N-3:C-4:C-4:C-4:	N[4]-3:N[4]-3:N-3:S-2:	N(Si[4]N[4]2S)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si[4](N[4]C[4]C)2(NSi2)(SCu)	N(Si[4]N[4]2S)(SiC3)2	Si(NSi[4]Si)(CH3)3	Si[4](N[4]C[4]C)2(NSi2)(SCu){1|C<3>}	120.4225	3.958	2	120.4225	15.663	2	120.4225	15.663	2	118.3734	28.807	5	119.9850	20.039	11	119.9850	20.039	11
956	881	930	0:SP2_SP2_SPD5	N	Si[3,3]	C	5:3:3:	5:2:2:3:3:	3:3:2:	Si[3,3]-5:C[6a]-3:C-3:	Si[3,3]-5:O[3]-2:O[3]-2:N-3:N-3:	N-3:C[6a]-3:N-2:	N(Si[3,3]Si[3,3]O[3]2N)(C[6a]C[6a]2)(CC[6a]N)	Si[3,3](Si[3,3]O[3]2NN)(O[3]Si[3,3])2(NC[6a]C)(NCC)	C(NSi[3,3]C[6a])(C[6a]C[6a]2)(NC[6a])	N(Si[3,3]Si[3,3]O[3]2N)(C[6a]C[6a]2)(CC[6a]N)	Si[3,3](Si[3,3]O[3]2NN)(O[3]Si[3,3])2(NC[6a]C)(NCC)	C(NSi[3,3]C[6a])(C[6a]C[6a]2)(NC[6a])	97.0439	0.000	1	97.0439	0.000	1	97.0439	0.000	1	97.0439	0.000	1	97.0439	0.000	1	97.0439	0.000	1
956	881	951	0:SP3_SP-NON_SPD5	N	Si[3,3]	H	5:1:1:	5:3:3:3:1:	3:	Si[3,3]-5:H-1:H-1:	Si[3,3]-5:N[3]-3:N[3]-3:N-3:Cl-1:	N-3:	N(Si[3,3]Si[3,3]N[3]2Cl)(H)2	Si[3,3](Si[3,3]N[3]2ClN)(N[3]Si[3,3]Si)2(NHH)(Cl)	H(NSi[3,3]H)	N(Si[3,3]Si[3,3]N[3]2Cl)(H)2	Si[3,3](Si[3,3]N[3]2ClN)(N[3]Si[3,3]Si)2(NHH)(Cl)	H(NSi[3,3]H)	122.7767	3.532	4	122.7767	12.474	4	122.7767	12.474	4	122.7767	12.474	4	122.7767	12.474	4	122.7767	12.474	4
956	882	930	0:SP2_SP2_SP3	N	P[4]	C	3:3:3:	3:3:3:	3:2:1:	C[6a]-3:P[4]-3:C-3:	N[4]-3:N[4]-3:N-3:	N-3:N-2:H-1:	N(C[6a]C[6a]2)(P[4]N[4]2)(CHN)	P[4](N[4]P[4]C)2(NC[6a]C)	C(NC[6a]P[4])(NC[6a])(H)	N(C[6a]C[6a]2)(P[4]N[4]2)(CHN)	P[4](N[4]P[4]C)2(NC[6a]C){1|Cl<1>}	C(NC[6a]P[4])(NC[6a])(H)	122.8400	0.000	1	122.8400	0.000	1	122.8400	0.000	1	122.8400	0.000	1	122.8400	0.000	1	122.8400	0.000	1
956	882	945	0:SP2_SP3_SP3	N	P[4]	P	3:3:3:	3:3:3:	3:1:1:	C[6a]-3:P[4]-3:P-3:	N[4]-3:N[4]-3:N-3:	N-3:Cl-1:Cl-1:	N(C[6a]C[6a]2)(P[4]N[4]2)(PCl2)	P[4](N[4]C[6a]P[4])2(NC[6a]P)	P(NC[6a]P[4])(Cl)2	N(C[6a]C[6a]2)(P[4]N[4]2)(PCl2)	P[4](N[4]C[6a]P[4])2(NC[6a]P){1|N<3>,4|C<3>}	P(NC[6a]P[4])(Cl)2	113.1015	0.274	2	113.1015	0.075	2	113.1015	0.075	2	113.1015	0.075	2	114.2407	1.951	4	114.2407	1.951	4
956	882	945	0:SP2_SP3_SP3	N	P[4]	P	3:3:4:	3:3:3:	3:3:1:	P[4]-3:P-3:C-4:	N[4]-3:N[4]-3:N-3:	C[6a]-3:N-3:Cl-1:	N(P[4]N[4]2)(PC[6a]Cl)(CC3)	P[4](N[4]P[4]C)2(NCP)	P(C[6a]C[6a]2)(NP[4]C)(Cl)	N(P[4]N[4]2)(PC[6a]Cl)(CC3)	P[4](N[4]P[4]C)2(NCP){1|N<3>}	P(C[6a]C[6a]2)(NP[4]C)(Cl)	115.3800	0.767	2	115.3800	0.588	2	115.3800	0.588	2	115.3800	0.588	2	114.2407	1.951	4	114.2407	1.951	4
956	882	945	0:SP3_SP3_SP3	N	P[4]	P	4:3:3:	3:3:3:	3:1:1:	C[6]-4:P[4]-3:P-3:	N[4]-3:N[4]-3:N-3:	N-3:Cl-1:Cl-1:	N(C[6]C[6]2H)(P[4]N[4]2)(PCl2)	P[4](N[4]P[4]C)2(NC[6]P)	P(NC[6]P[4])(Cl)2	N(C[6]C[6]2H)(P[4]N[4]2)(PCl2)	P[4](N[4]P[4]C)2(NC[6]P){1|N<3>}	P(NC[6]P[4])(Cl)2	119.3340	0.000	1	119.3340	0.000	1	119.3340	0.000	1	119.3340	0.000	1	119.3340	0.000	1	119.3340	0.000	1
956	882	951	0:SP2_SP-NON_SP3	N	P[4]	H	3:3:1:	3:3:3:	3:	C[6a]-3:P[4]-3:H-1:	N[4]-3:N[4]-3:N-3:	N-3:	N(C[6a]C[6a]2)(P[4]N[4]2)(H)	P[4](N[4]P[4]C)2(NC[6a]H)	H(NC[6a]P[4])	N(C[6a]C[6a]2)(P[4]N[4]2)(H)	P[4](N[4]P[4]C)2(NC[6a]H){1|N<3>}	H(NC[6a]P[4])	117.3353	0.117	3	117.3353	0.014	3	117.3353	0.014	3	117.3353	0.014	3	117.4947	3.001	16	117.4947	3.001	16
956	882	951	0:SP2_SP-NON_SP3	N	P[4]	H	3:4:1:	3:3:3:	3:	P[4]-3:C-4:H-1:	N[4]-3:N[4]-3:N-3:	N-3:	N(P[4]N[4]2)(CC3)(H)	P[4](N[4]P[4]C)2(NCH)	H(NP[4]C)	N(P[4]N[4]2)(CC3)(H)	P[4](N[4]P[4]C)2(NCH){1|C<3>,1|N<2>}	H(NP[4]C)	119.6335	0.095	2	118.0465	2.592	11	117.5315	3.742	13	117.5315	3.742	13	117.4947	3.001	16	117.4947	3.001	16
956	882	951	0:SP2_SP-NON_SP3	N	P[4]	H	3:4:1:	3:3:3:	3:	P[4]-3:C-4:H-1:	N[4]-3:N[4]-3:N-3:	N-3:	N(P[4]N[4]2)(CC3)(H)	P[4](N[4]P[4]C)2(NCH)	H(NP[4]C)	N(P[4]N[4]2)(CC3)(H)	P[4](N[4]P[4]C)2(NCH){1|H<1>,1|O<1>}	H(NP[4]C)	119.0920	0.000	1	118.0465	2.592	11	117.5315	3.742	13	117.5315	3.742	13	117.4947	3.001	16	117.4947	3.001	16
956	882	951	0:SP2_SP-NON_SP3	N	P[4]	H	3:4:1:	3:3:3:	3:	P[4]-3:C-4:H-1:	N[4]-3:N[4]-3:N-3:	N-3:	N(P[4]N[4]2)(CC3)(H)	P[4](N[4]P[4]C)2(NCH)	H(NP[4]C)	N(P[4]N[4]2)(CC3)(H)	P[4](N[4]P[4]C)2(NCH){1|H<1>,1|S<1>}	H(NP[4]C)	118.9380	0.000	1	118.0465	2.592	11	117.5315	3.742	13	117.5315	3.742	13	117.4947	3.001	16	117.4947	3.001	16
956	882	951	0:SP2_SP-NON_SP3	N	P[4]	H	3:4:1:	3:3:3:	3:	P[4]-3:C-4:H-1:	N[4]-3:N[4]-3:N-3:	N-3:	N(P[4]N[4]2)(CC3)(H)	P[4](N[4]P[4]C)2(NCH)	H(NP[4]C)	N(P[4]N[4]2)(CC3)(H)	P[4](N[4]P[4]C)2(NCH){1|N<2>,1|N<3>}	H(NP[4]C)	119.4250	0.000	1	118.0465	2.592	11	117.5315	3.742	13	117.5315	3.742	13	117.4947	3.001	16	117.4947	3.001	16
956	882	951	0:SP2_SP-NON_SP3	N	P[4]	H	3:4:1:	3:3:3:	3:	P[4]-3:C-4:H-1:	N[4]-3:N[4]-3:N-3:	N-3:	N(P[4]N[4]2)(CC3)(H)	P[4](N[4]P[4]C)2(NCH)	H(NP[4]C)	N(P[4]N[4]2)(CC3)(H)	P[4](N[4]P[4]C)2(NCH){1|Ni<6>,1|Se<2>,1|N<3>}	H(NP[4]C)	115.8180	0.000	1	118.0465	2.592	11	117.5315	3.742	13	117.5315	3.742	13	117.4947	3.001	16	117.4947	3.001	16
956	882	951	0:SP2_SP-NON_SP3	N	P[4]	H	3:4:1:	3:3:3:	3:	P[4]-3:C-4:H-1:	N[4]-3:N[4]-3:N-3:	N-3:	N(P[4]N[4]2)(CC3)(H)	P[4](N[4]P[4]C)2(NCH)	H(NP[4]C)	N(P[4]N[4]2)(CC3)(H)	P[4](N[4]P[4]C)2(NCH){1|O<2>}	H(NP[4]C)	118.2373	0.404	3	118.0465	2.592	11	117.5315	3.742	13	117.5315	3.742	13	117.4947	3.001	16	117.4947	3.001	16
956	882	951	0:SP2_SP-NON_SP3	N	P[4]	H	3:4:1:	3:3:3:	3:	P[4]-3:C-4:H-1:	N[4]-3:N[4]-3:N-3:	N-3:	N(P[4]N[4]2)(CC3)(H)	P[4](N[4]P[4]C)2(NCH)	H(NP[4]C)	N(P[4]N[4]2)(CC3)(H)	P[4](N[4]P[4]C)2(NCH){1|Te<2>,1|N<2>}	H(NP[4]C)	115.6680	0.000	1	118.0465	2.592	11	117.5315	3.742	13	117.5315	3.742	13	117.4947	3.001	16	117.4947	3.001	16
956	882	951	0:SP2_SP-NON_SP3	N	P[4]	H	3:4:1:	3:3:3:	3:	P[4]-3:C-4:H-1:	N[4]-3:N[4]-3:N-3:	N-3:	N(P[4]N[4]2)(CC3)(H)	P[4](N[4]P[4]C)2(NCH)	H(NP[4]C)	N(P[4]N[4]2)(CC3)(H)	P[4](N[4]P[4]C)2(NCH){1|Zr<8>,1|N<3>}	H(NP[4]C)	115.5920	0.000	1	118.0465	2.592	11	117.5315	3.742	13	117.5315	3.742	13	117.4947	3.001	16	117.4947	3.001	16
956	882	951	0:SP2_SP-NON_SP3	N	P[4]	H	3:4:1:	3:3:3:	3:	P[4]-3:C-4:H-1:	N[4]-3:N[4]-3:N-3:	N-3:	N(P[4]N[4]2)(CC[6a]3)(H)	P[4](N[4]P[4]C)2(NCH)	H(NP[4]C)	N(P[4]N[4]2)(CC[6a]3)(H)	P[4](N[4]P[4]C)2(NCH){1|N<3>}	H(NP[4]C)	114.6985	0.108	2	114.6985	0.012	2	117.5315	3.742	13	117.5315	3.742	13	117.4947	3.001	16	117.4947	3.001	16
956	882	951	0:SP3_SP-NON_SP3	N	P[4]	H	3:4:1:	3:3:3:	3:	P[4]-3:C-4:H-1:	N[4]-3:N[4]-3:N-3:	N-3:	N(P[4]N[4]2)(CC3)(H)	P[4](N[4]C[6a]P[4])(N[4]P[4]C)(NCH)	H(NP[4]C)	N(P[4]N[4]2)(CC3)(H)	P[4](N[4]C[6a]P[4])(N[4]P[4]C)(NCH){1|N<3>,2|C<3>}	H(NP[4]C)	115.0450	0.750	2	115.0450	0.562	2	115.5165	10.225	11	115.5165	10.225	11	115.5165	10.225	11	115.5165	10.225	11
956	882	951	0:SP3_SP-NON_SP3	N	P[4]	H	3:4:1:	3:3:3:	3:	P[4]-3:C-4:H-1:	N[4]-3:N[4]-3:N-3:	N-3:	N(P[4]N[4]2)(CC3)(H)	P[4](N[4]P[4,5]C)2(NCH)	H(NP[4]C)	N(P[4]N[4]2)(CC3)(H)	P[4](N[4]P[4,5]C)2(NCH){1|C<3>,1|N<3>}	H(NP[4]C)	116.7770	0.000	1	116.7770	0.000	1	115.5165	10.225	11	115.5165	10.225	11	115.5165	10.225	11	115.5165	10.225	11
956	882	951	0:SP3_SP-NON_SP3	N	P[4]	H	3:4:1:	3:3:3:	3:	P[4]-3:C-4:H-1:	N[4]-3:N[4]-3:N-3:	N-3:	N(P[4]N[4]2)(CC3)(H)	P[4](N[4]P[4]C)2(NCH)	H(NP[4]C)	N(P[4]N[4]2)(CC3)(H)	P[4](N[4]P[4]C)2(NCH){1|C<4>,1|N<2>}	H(NP[4]C)	115.5000	0.000	1	115.4769	14.235	8	115.5165	10.225	11	115.5165	10.225	11	115.5165	10.225	11	115.5165	10.225	11
956	882	951	0:SP3_SP-NON_SP3	N	P[4]	H	3:4:1:	3:3:3:	3:	P[4]-3:C-4:H-1:	N[4]-3:N[4]-3:N-3:	N-3:	N(P[4]N[4]2)(CC3)(H)	P[4](N[4]P[4]C)2(NCH)	H(NP[4]C)	N(P[4]N[4]2)(CC3)(H)	P[4](N[4]P[4]C)2(NCH){1|N<3>}	H(NP[4]C)	114.8880	0.000	1	115.4769	14.235	8	115.5165	10.225	11	115.5165	10.225	11	115.5165	10.225	11	115.5165	10.225	11
956	882	951	0:SP3_SP-NON_SP3	N	P[4]	H	3:4:1:	3:3:3:	3:	P[4]-3:C-4:H-1:	N[4]-3:N[4]-3:N-3:	N-3:	N(P[4]N[4]2)(CC3)(H)	P[4](N[4]P[4]C)2(NCH)	H(NP[4]C)	N(P[4]N[4]2)(CC3)(H)	P[4](N[4]P[4]C)2(NCH){1|Ni<6>,1|Se<2>,1|N<3>}	H(NP[4]C)	115.3020	0.000	1	115.4769	14.235	8	115.5165	10.225	11	115.5165	10.225	11	115.5165	10.225	11	115.5165	10.225	11
956	882	951	0:SP3_SP-NON_SP3	N	P[4]	H	3:4:1:	3:3:3:	3:	P[4]-3:C-4:H-1:	N[4]-3:N[4]-3:N-3:	N-3:	N(P[4]N[4]2)(CC3)(H)	P[4](N[4]P[4]C)2(NCH)	H(NP[4]C)	N(P[4]N[4]2)(CC3)(H)	P[4](N[4]P[4]C)2(NCH){1|O<2>}	H(NP[4]C)	110.5305	2.849	2	115.4769	14.235	8	115.5165	10.225	11	115.5165	10.225	11	115.5165	10.225	11	115.5165	10.225	11
956	882	951	0:SP3_SP-NON_SP3	N	P[4]	H	3:4:1:	3:3:3:	3:	P[4]-3:C-4:H-1:	N[4]-3:N[4]-3:N-3:	N-3:	N(P[4]N[4]2)(CC3)(H)	P[4](N[4]P[4]C)2(NCH)	H(NP[4]C)	N(P[4]N[4]2)(CC3)(H)	P[4](N[4]P[4]C)2(NCH){1|Pd<4>,1|O<2>}	H(NP[4]C)	119.4205	1.890	2	115.4769	14.235	8	115.5165	10.225	11	115.5165	10.225	11	115.5165	10.225	11	115.5165	10.225	11
956	882	951	0:SP3_SP-NON_SP3	N	P[4]	H	3:4:1:	3:3:3:	3:	P[4]-3:C-4:H-1:	N[4]-3:N[4]-3:N-3:	N-3:	N(P[4]N[4]2)(CC3)(H)	P[4](N[4]P[4]C)2(NCH)	H(NP[4]C)	N(P[4]N[4]2)(CC3)(H)	P[4](N[4]P[4]C)2(NCH){1|Se<1>,1|N<2>}	H(NP[4]C)	118.2230	0.000	1	115.4769	14.235	8	115.5165	10.225	11	115.5165	10.225	11	115.5165	10.225	11	115.5165	10.225	11