930	893	940	0:SP2_SP-NON_SP2	C	O	P	2:2:2:	4:3:	3:3:	O-2:O-2:P-2:	B-4:C-3:	C-3:C-3:	C(OSi)(OB)(PC)	O(BC[6a]3)(COP)	P(COO)2	C(OSi)(OB)(PC)	O(BC[6a]3)(COP)	P(COO)2	120.8690	0.000	1	120.8690	0.000	1	120.8690	0.000	1	122.3565	11.545	4	122.0882	9.571	9	122.0882	9.571	9
930	893	940	0:SP2_SP-NON_SP2	C	O	P	2:2:2:	4:3:	3:3:	O-2:O-2:P-2:	Si-4:C-3:	C-3:C-3:	C(OSi)(OB)(PC)	O(SiC3)(COP)	P(COO)2	C(OSi)(OB)(PC)	O(SiC3)(COP)	P(COO)2	122.5550	0.000	1	122.5550	0.000	1	122.8523	15.843	3	122.3565	11.545	4	122.0882	9.571	9	122.0882	9.571	9
930	893	940	0:SP2_SP-NON_SP2	C	O	P	2:2:2:	4:3:	3:3:	O-2:O-2:P-2:	Si-4:C-3:	C-3:C-3:	C(OSi)2(PC)	O(SiC3)(COP)	P(COO)2	C(OSi)2(PC)	O(SiC3)(COP)	P(COO)2	123.0010	5.617	2	123.0010	31.554	2	122.8523	15.843	3	122.3565	11.545	4	122.0882	9.571	9	122.0882	9.571	9
930	893	940	0:SP2_SP-NON_SP2	C	O	P	3:2:2:	3:3:	3:3:	C[6a]-3:P-2:O-2:	C-3:P-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a])(OP)	O(CC[6a]P)(PC[6a]C)	P(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(PC[6a])(OP)	O(CC[6a]P)(PC[6a]C)	P(C[6a]C[6a]2)(CC[6a]O)	117.2670	0.000	1	117.2670	0.000	1	117.2670	0.000	1	117.2670	0.000	1	122.0882	9.571	9	122.0882	9.571	9
930	893	940	0:SP2_SP-NON_SP2	C	O	P	3:2:2:	3:4:	3:3:	C[6a]-3:P-2:O-2:	C-3:Si-4:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(PC[6a])(OSi)	O(CC[6a]P)(SiC3)	P(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(PC[6a])(OSi)	O(CC[6a]P)(SiC3)	P(C[6a]C[6a]2)(CC[6a]O)	124.2190	0.000	1	124.2190	0.000	1	124.2190	0.000	1	124.2190	0.000	1	122.0882	9.571	9	122.0882	9.571	9
930	893	940	0:SP2_SP-NON_SP2	C	O	P	3:2:2:	4:3:	4:3:	P-3:O-2:P-2:	Si-4:C-3:	Ge-4:C-3:	C(PCC)(OSi)(PGe)	O(SiC[6a]3)(CPP)	P(GeC[6a]3)(COP)	C(PCC)(OSi)(PGe)	O(SiC[6a]3)(CPP)	P(GeC[6a]3)(COP)	122.6273	2.548	3	122.6273	6.494	3	122.6273	6.494	3	122.6273	6.494	3	122.0882	9.571	9	122.0882	9.571	9
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	2:3:	3:3:	N-2:O-2:O-1:	C-2:C-3:	C[6]-3:C-3:	C(NC[6])(OC)(O)	O(CC[6])(CNO)	N(C[6]C[6]2)(COO)	C(NC[6])(OC)(O)	O(CC[6])(CNO)	N(C[6]C[6]2)(COO)	109.9590	0.000	1	109.9590	0.000	1	109.9590	0.000	1	109.9590	0.000	1	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:3:	3:3:	N-2:O-2:O-1:	C[6a]-3:C-3:	C[6a]-3:C-3:	C(NC[6a])(OC[6a])(O)	O(C[6a]C[6a]2)(CNO)	N(C[6a]C[6a]2)(COO)	C(NC[6a])(OC[6a])(O)	O(C[6a]C[6a]2)(CNO)	N(C[6a]C[6a]2)(COO)	108.8390	0.000	1	108.8390	0.000	1	108.8390	0.000	1	112.4260	25.733	2	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:3:	3:3:	N-2:O-2:O-1:	N[6]-3:C-3:	C[6]-3:C-3:	C(NC[6])(ON[6])(O)	O(N[6]C[6]2)(CNO)	N(C[6]C[6]2)(COO)	C(NC[6])(ON[6])(O)	O(N[6]C[6]2)(CNO)	N(C[6]C[6]2)(COO)	116.0130	0.000	1	116.0130	0.000	1	116.0130	0.000	1	112.4260	25.733	2	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:3:	4:3:	N-2:O-2:O-1:	C-3:C-3:	C[5]-4:C-3:	C(NC[5])(OC)(O)	O(CC[5]H)(CNO)	N(C[5]C[5]2C)(COO)	C(NC[5])(OC)(O)	O(CC[5]H)(CNO)	N(C[5]C[5]2C)(COO)	110.2230	0.000	1	110.2230	0.000	1	110.2230	0.000	1	109.5070	1.025	2	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	3:3:	4:3:	N-2:O-2:O-1:	C-3:C-3:	C[6]-4:C-3:	C(NC[6])(OC)(O)	O(CCN)(CNO)	N(C[6]C[6]O[6]H)(COO)	C(NC[6])(OC)(O)	O(CCN)(CNO)	N(C[6]C[6]O[6]H)(COO)	108.7910	0.000	1	108.7910	0.000	1	108.7910	0.000	1	109.5070	1.025	2	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	3:2:	N-2:O-2:O-1:	C-4:C-3:	C-3:N-2:	C(NN)(OC)(O)	O(CC[6a]HH)(CNO)	N(COO)(NC)	C(NN)(OC)(O)	O(CC[6a]HH)(CNO)	N(COO)(NC)	110.2090	0.000	1	110.2090	0.000	1	110.3335	0.031	2	109.8670	0.668	3	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	3:2:	N-2:O-2:O-1:	C-4:C-3:	C-3:N-2:	C(NN)(OC)(O)	O(CH3)(CNO)	N(COO)(NC)	C(NN)(OC)(O)	O(CH3)(CNO)	N(COO)(NC)	110.4580	0.000	1	110.4580	0.000	1	110.3335	0.031	2	109.8670	0.668	3	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	3:2:	N-2:O-2:O-1:	C-4:C-3:	C-3:O-2:	C(NO)(OC)(O)	O(CC3)(CNO)	N(COO)(OC)	C(NO)(OC)(O)	O(CC3)(CNO)	N(COO)(OC)	108.9340	0.000	1	108.9340	0.000	1	108.9340	0.000	1	109.8670	0.668	3	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	3:3:	N-2:O-2:H-1:	C-4:C-3:	C[5a]-3:C-3:	C(NC[5a])(OC)(H)	O(CCHH)(CHN)	N(C[5a]C[5a]N[5a])(CHO)	C(NC[5a])(OC)(H)	O(CCHH)(CHN)	N(C[5a]C[5a]N[5a])(CHO)	124.1125	0.361	2	124.1125	0.131	2	124.1125	0.131	2	110.2155	23.576	59	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	3:3:	N-2:O-2:H-1:	C-4:C-3:	C[6]-3:C-3:	C(NC[6])(OC)(H)	O(CCHH)(CHN)	N(C[6]C[6]O[6])(CHO)	C(NC[6])(OC)(H)	O(CCHH)(CHN)	N(C[6]C[6]O[6])(CHO)	123.5710	0.083	2	123.5710	0.007	2	123.5710	0.007	2	110.2155	23.576	59	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	3:3:	N-2:O-2:H-1:	C-4:C-3:	C[6a]-3:C-3:	C(NC[6a])(OC)(H)	O(CCHH)(CHN)	N(C[6a]C[6a]2)(CHO)	C(NC[6a])(OC)(H)	O(CCHH)(CHN)	N(C[6a]C[6a]2)(CHO)	122.8960	0.000	1	122.8960	0.000	1	122.8960	0.000	1	110.2155	23.576	59	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	3:3:	N-2:O-2:O-1:	C-4:C-3:	C-3:C-3:	C(NC)(OC)(O)	O(CC3)(CNO)	N(CC[6a]N[6])(COO)	C(NC)(OC)(O)	O(CC3)(CNO)	N(CC[6a]N[6])(COO)	111.2410	0.000	1	111.2410	0.000	1	108.9321	0.603	16	110.2155	23.576	59	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	3:3:	N-2:O-2:O-1:	C-4:C-3:	C-3:C-3:	C(NC)(OC)(O)	O(CC3)(CNO)	N(CNN)(COO)	C(NC)(OC)(O)	O(CC3)(CNO)	N(CNN)(COO)	108.4608	0.507	6	108.4608	0.257	6	108.9321	0.603	16	110.2155	23.576	59	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	3:3:	N-2:O-2:O-1:	C-4:C-3:	C-3:C-3:	C(NC)(OC)(O)	O(CCHH)(CNO)	N(CCS)(COO)	C(NC)(OC)(O)	O(CCHH)(CNO)	N(CCS)(COO)	108.9800	0.000	1	108.9800	0.000	1	108.9321	0.603	16	110.2155	23.576	59	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	3:3:	N-2:O-2:O-1:	C-4:C-3:	C-3:C-3:	C(NC)(OC)(O)	O(CCHH)(CNO)	N(CC[6a]C)(COO)	C(NC)(OC)(O)	O(CCHH)(CNO)	N(CC[6a]C)(COO)	108.9270	0.000	1	108.9270	0.000	1	108.9321	0.603	16	110.2155	23.576	59	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	3:3:	N-2:O-2:O-1:	C-4:C-3:	C-3:C-3:	C(NC)(OC)(O)	O(CCHH)(CNO)	N(CC[6a]S)(COO)	C(NC)(OC)(O)	O(CCHH)(CNO)	N(CC[6a]S)(COO)	109.1620	0.000	1	109.1620	0.000	1	108.9321	0.603	16	110.2155	23.576	59	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	3:3:	N-2:O-2:O-1:	C-4:C-3:	C-3:C-3:	C(NC)(OC)(O)	O(CCHH)(CNO)	N(COO)(COS)	C(NC)(OC)(O)	O(CCHH)(CNO)	N(COO)(COS)	109.0080	0.000	1	109.0080	0.000	1	108.9321	0.603	16	110.2155	23.576	59	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	3:3:	N-2:O-2:O-1:	C-4:C-3:	C-3:C-3:	C(NC)(OC)(O)	O(CC[6a]HH)(CNO)	N(CNN)(COO)	C(NC)(OC)(O)	O(CC[6a]HH)(CNO)	N(CNN)(COO)	108.8520	0.652	2	108.8520	0.425	2	108.9321	0.603	16	110.2155	23.576	59	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	3:3:	N-2:O-2:O-1:	C-4:C-3:	C-3:C-3:	C(NC)(OC)(O)	O(CC[6a]HH)(CNO)	N(CN[5]C)(COO)	C(NC)(OC)(O)	O(CC[6a]HH)(CNO)	N(CN[5]C)(COO)	108.4490	0.000	1	108.4490	0.000	1	108.9321	0.603	16	110.2155	23.576	59	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	3:3:	N-2:O-2:O-1:	C-4:C-3:	C-3:C-3:	C(NC)(OC)(O)	O(CH3)(CNO)	N(CNN)(COO)	C(NC)(OC)(O)	O(CH3)(CNO)	N(CNN)(COO)	109.3385	0.194	2	109.3385	0.038	2	108.9321	0.603	16	110.2155	23.576	59	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	3:3:	N-2:O-2:O-1:	C-4:C-3:	C-3:N-3:	C(NN)(OC)(O)	O(CCHH)(CNO)	N(COO)(NOO)	C(NN)(OC)(O)	O(CCHH)(CNO)	N(COO)(NOO)	105.1535	0.798	4	105.1535	0.637	4	105.4162	0.823	5	110.2155	23.576	59	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	3:3:	N-2:O-2:O-1:	C-4:C-3:	C-3:N-3:	C(NN)(OC)(O)	O(CSiHH)(CNO)	N(COO)(NOO)	C(NN)(OC)(O)	O(CSiHH)(CNO)	N(COO)(NOO)	106.4670	0.000	1	106.4670	0.000	1	105.4162	0.823	5	110.2155	23.576	59	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	3:3:	N-2:O-2:O-1:	C-4:C-3:	C-3:S-3:	C(NS)(OC)(O)	O(CC[6a]CH)(CNO)	N(COO)(SCC)	C(NS)(OC)(O)	O(CC[6a]CH)(CNO)	N(COO)(SCC)	107.2460	0.000	1	107.2460	0.000	1	107.2460	0.000	1	110.2155	23.576	59	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	3:3:	N-2:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:	C(NC[5])(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6a]C[5])(COO)	C(NC[5])(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6a]C[5])(COO)	109.0050	0.000	1	109.0050	0.000	1	109.5000	4.984	4	110.2155	23.576	59	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	3:3:	N-2:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:	C(NC[5])(OC)(O)	O(CC3)(CNO)	N(C[5]C[5]N[5])(COO)	C(NC[5])(OC)(O)	O(CC3)(CNO)	N(C[5]C[5]N[5])(COO)	108.3720	0.000	1	108.3720	0.000	1	109.5000	4.984	4	110.2155	23.576	59	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	3:3:	N-2:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:	C(NC[5])(OC)(O)	O(CC3)(CNO)	N(C[5]N[5]2)(COO)	C(NC[5])(OC)(O)	O(CC3)(CNO)	N(C[5]N[5]2)(COO)	110.3115	3.481	2	110.3115	12.118	2	109.5000	4.984	4	110.2155	23.576	59	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	3:3:	N-2:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:	C(NC[5a])(OC)(O)	O(CC3)(CNO)	N(C[5a]N[5a]S[5a])(COO)	C(NC[5a])(OC)(O)	O(CC3)(CNO)	N(C[5a]N[5a]S[5a])(COO)	109.3850	0.000	1	109.3850	0.000	1	108.9137	0.923	11	110.2155	23.576	59	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	3:3:	N-2:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:	C(NC[5a])(OC)(O)	O(CCHH)(CNO)	N(C[5a]C[5a,6a]S[5a])(COO)	C(NC[5a])(OC)(O)	O(CCHH)(CNO)	N(C[5a]C[5a,6a]S[5a])(COO)	108.8666	0.999	10	108.8666	0.998	10	108.9137	0.923	11	110.2155	23.576	59	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	3:3:	N-2:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:	C(NC[6])(OC)(O)	O(CC3)(CNO)	N(C[6]N[6]2)(COO)	C(NC[6])(OC)(O)	O(CC3)(CNO)	N(C[6]N[6]2)(COO)	106.6740	0.000	1	106.6740	0.000	1	106.6740	0.000	1	110.2155	23.576	59	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	3:3:	N-2:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:	C(NC[6a])(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]2)(COO)	C(NC[6a])(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]2)(COO)	109.2655	1.787	2	109.2655	3.193	2	109.7244	1.132	11	110.2155	23.576	59	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	3:3:	N-2:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:	C(NC[6a])(OC)(O)	O(CCHH)(CNO)	N(C[6a]C[6a]2)(COO)	C(NC[6a])(OC)(O)	O(CCHH)(CNO)	N(C[6a]C[6a]2)(COO)	109.7600	0.158	3	109.7600	0.025	3	109.7244	1.132	11	110.2155	23.576	59	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	3:3:	N-2:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:	C(NC[6a])(OC)(O)	O(CC[4]HH)(CNO)	N(C[6a]C[6a]2)(COO)	C(NC[6a])(OC)(O)	O(CC[4]HH)(CNO)	N(C[6a]C[6a]2)(COO)	110.9237	0.546	3	110.9237	0.298	3	109.7244	1.132	11	110.2155	23.576	59	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	3:3:	N-2:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:	C(NC[6a])(OC)(O)	O(CC[6]HH)(CNO)	N(C[6a]C[6a]2)(COO)	C(NC[6a])(OC)(O)	O(CC[6]HH)(CNO)	N(C[6a]C[6a]2)(COO)	108.8975	0.302	2	108.8975	0.091	2	109.7244	1.132	11	110.2155	23.576	59	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	3:3:	N-2:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:	C(NC[6a])(OC)(O)	O(CH3)(CNO)	N(C[6a]C[6a]2)(COO)	C(NC[6a])(OC)(O)	O(CH3)(CNO)	N(C[6a]C[6a]2)(COO)	108.5910	0.000	1	108.5910	0.000	1	109.7244	1.132	11	110.2155	23.576	59	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	3:3:	N-2:O-2:O-1:	C-4:C-3:	N-3:C-3:	C(NN)(OC)(O)	O(CC3)(CNO)	N(NC[5]C)(COO)	C(NN)(OC)(O)	O(CC3)(CNO)	N(NC[5]C)(COO)	107.5100	0.000	1	107.5100	0.000	1	107.4100	0.020	2	110.2155	23.576	59	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	3:3:	N-2:O-2:O-1:	C-4:C-3:	N-3:C-3:	C(NN)(OC)(O)	O(CCCH)(CNO)	N(NP[4]C)(COO)	C(NN)(OC)(O)	O(CCCH)(CNO)	N(NP[4]C)(COO)	107.3100	0.000	1	107.3100	0.000	1	107.4100	0.020	2	110.2155	23.576	59	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	3:3:	N-2:O-2:O-1:	C[5]-4:C-3:	C[6a]-3:C-3:	C(NC[6a])(OC[5])(O)	O(C[5]C[5]2H)(CNO)	N(C[6a]C[6a]2)(COO)	C(NC[6a])(OC[5])(O)	O(C[5]C[5]2H)(CNO)	N(C[6a]C[6a]2)(COO)	109.2990	0.000	1	109.2990	0.000	1	109.2990	0.000	1	110.2155	23.576	59	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	3:3:	O-2:N-2:H-1:	Si[6]-4:C-3:	C-3:N-3:	C(OSi[6])(NN)(H)	O(Si[6]C[6]O[6]C)(CHN)	N(CHO)(NCC)	C(OSi[6])(NN)(H)	O(Si[6]C[6]O[6]C)(CHN)	N(CHO)(NCC)	124.7230	0.000	1	124.7230	0.000	1	124.7230	0.000	1	110.2155	23.576	59	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	3:3:	O-2:N-2:O-1:	C[6]-4:C-3:	C-3:C-3:	C(OC[6])(NC)(O)	O(C[6]C[6]2H)(CNO)	N(CNS)(COO)	C(OC[6])(NC)(O)	O(C[6]C[6]2H)(CNO)	N(CNS)(COO)	108.6760	0.000	1	108.6760	0.000	1	108.6760	0.000	1	110.2155	23.576	59	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	4:3:	N-2:O-2:O-1:	C-4:C-3:	C-4:C-3:	C(NC)(OC)(O)	O(CC3)(CNO)	N(CCCH)(COO)	C(NC)(OC)(O)	O(CC3)(CNO)	N(CCCH)(COO)	109.9862	0.608	11	109.9862	0.370	11	110.0290	0.793	27	110.1590	1.176	38	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	4:3:	N-2:O-2:O-1:	C-4:C-3:	C-4:C-3:	C(NC)(OC)(O)	O(CC3)(CNO)	N(CCHH)(COO)	C(NC)(OC)(O)	O(CC3)(CNO)	N(CCHH)(COO)	110.5540	0.000	1	110.5540	0.000	1	110.0290	0.793	27	110.1590	1.176	38	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	4:3:	N-2:O-2:O-1:	C-4:C-3:	C-4:C-3:	C(NC)(OC)(O)	O(CC3)(CNO)	N(CC[6a]CC)(COO)	C(NC)(OC)(O)	O(CC3)(CNO)	N(CC[6a]CC)(COO)	108.4720	0.000	1	108.4720	0.000	1	110.0290	0.793	27	110.1590	1.176	38	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	4:3:	N-2:O-2:O-1:	C-4:C-3:	C-4:C-3:	C(NC)(OC)(O)	O(CC3)(CNO)	N(CC[6a]CH)(COO)	C(NC)(OC)(O)	O(CC3)(CNO)	N(CC[6a]CH)(COO)	108.7643	0.601	3	108.7643	0.362	3	110.0290	0.793	27	110.1590	1.176	38	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	4:3:	N-2:O-2:O-1:	C-4:C-3:	C-4:C-3:	C(NC)(OC)(O)	O(CCHH)(CNO)	N(CC[6a]CH)(COO)	C(NC)(OC)(O)	O(CCHH)(CNO)	N(CC[6a]CH)(COO)	110.2470	0.390	2	110.2470	0.152	2	110.0290	0.793	27	110.1590	1.176	38	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	4:3:	N-2:O-2:O-1:	C-4:C-3:	C-4:C-3:	C(NC)(OC)(O)	O(CC[6]HH)(CNO)	N(CC[6a]CH)(COO)	C(NC)(OC)(O)	O(CC[6]HH)(CNO)	N(CC[6a]CH)(COO)	109.8670	0.000	1	109.8670	0.000	1	110.0290	0.793	27	110.1590	1.176	38	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	4:3:	N-2:O-2:O-1:	C-4:C-3:	C-4:C-3:	C(NC)(OC)(O)	O(CC[6a]CH)(CNO)	N(CC[6a]CH)(COO)	C(NC)(OC)(O)	O(CC[6a]CH)(CNO)	N(CC[6a]CH)(COO)	110.6370	0.000	1	110.6370	0.000	1	110.0290	0.793	27	110.1590	1.176	38	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	4:3:	N-2:O-2:O-1:	C-4:C-3:	C-4:C-3:	C(NC)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC3)(COO)	C(NC)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC3)(COO)	111.4990	0.000	1	111.4990	0.000	1	110.0290	0.793	27	110.1590	1.176	38	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	4:3:	N-2:O-2:O-1:	C-4:C-3:	C-4:C-3:	C(NC)(OC)(O)	O(CC[6a]HH)(CNO)	N(CCCH)(COO)	C(NC)(OC)(O)	O(CC[6a]HH)(CNO)	N(CCCH)(COO)	109.8700	1.762	2	109.8700	3.105	2	110.0290	0.793	27	110.1590	1.176	38	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	4:3:	N-2:O-2:O-1:	C-4:C-3:	C-4:C-3:	C(NC)(OC)(O)	O(CC[6a]HH)(CNO)	N(CCHH)(COO)	C(NC)(OC)(O)	O(CC[6a]HH)(CNO)	N(CCHH)(COO)	110.8490	0.000	1	110.8490	0.000	1	110.0290	0.793	27	110.1590	1.176	38	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	4:3:	N-2:O-2:O-1:	C-4:C-3:	C-4:C-3:	C(NC)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[5a]CH)(COO)	C(NC)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[5a]CH)(COO)	111.0160	0.000	1	111.0160	0.000	1	110.0290	0.793	27	110.1590	1.176	38	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	4:3:	N-2:O-2:O-1:	C-4:C-3:	C-4:C-3:	C(NC)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[6a]CH)(COO)	C(NC)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[6a]CH)(COO)	110.6630	0.000	1	110.6630	0.000	1	110.0290	0.793	27	110.1590	1.176	38	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	4:3:	N-2:O-2:O-1:	C-4:C-3:	C-4:C-3:	C(NC)(OC)(O)	O(CH3)(CNO)	N(CC[5a]C[6a]C)(COO)	C(NC)(OC)(O)	O(CH3)(CNO)	N(CC[5a]C[6a]C)(COO)	110.8500	0.000	1	110.8500	0.000	1	110.0290	0.793	27	110.1590	1.176	38	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	4:3:	N-2:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:	C(NC[5])(OC)(O)	O(CC3)(CNO)	N(C[5]C[5]2H)(COO)	C(NC[5])(OC)(O)	O(CC3)(CNO)	N(C[5]C[5]2H)(COO)	109.5170	0.334	2	109.5170	0.111	2	109.9275	0.265	4	110.1590	1.176	38	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	4:3:	N-2:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:	C(NC[5])(OC)(O)	O(CCHH)(CNO)	N(C[5]C[5]2C)(COO)	C(NC[5])(OC)(O)	O(CCHH)(CNO)	N(C[5]C[5]2C)(COO)	110.4070	0.000	1	110.4070	0.000	1	109.9275	0.265	4	110.1590	1.176	38	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	4:3:	N-2:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:	C(NC[5])(OC)(O)	O(CC[6a]HH)(CNO)	N(C[5]C[5]2H)(COO)	C(NC[5])(OC)(O)	O(CC[6a]HH)(CNO)	N(C[5]C[5]2H)(COO)	110.2690	0.000	1	110.2690	0.000	1	109.9275	0.265	4	110.1590	1.176	38	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	4:3:	N-2:O-2:O-1:	C-4:C-3:	C[6,6]-4:C-3:	C(NC[6,6])(OC)(O)	O(CC3)(CNO)	N(C[6,6]C[4,6,6]C[6,6]C)(COO)	C(NC[6,6])(OC)(O)	O(CC3)(CNO)	N(C[6,6]C[4,6,6]C[6,6]C)(COO)	110.3080	0.000	1	110.3080	0.000	1	110.3080	0.000	1	110.1590	1.176	38	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	4:3:	N-2:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:	C(NC[6])(OC)(O)	O(CC3)(CNO)	N(C[6]C[6]2H)(COO)	C(NC[6])(OC)(O)	O(CC3)(CNO)	N(C[6]C[6]2H)(COO)	109.7370	1.728	3	109.7370	2.986	3	109.8708	2.062	4	110.1590	1.176	38	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	4:3:	N-2:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:	C(NC[6])(OC)(O)	O(CC[6a]HH)(CNO)	N(C[6]C[6]2H)(COO)	C(NC[6])(OC)(O)	O(CC[6a]HH)(CNO)	N(C[6]C[6]2H)(COO)	110.2720	0.000	1	110.2720	0.000	1	109.8708	2.062	4	110.1590	1.176	38	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	4:3:	4:3:	O-2:N-2:O-1:	Si-4:C-3:	C-4:C-3:	C(OSi)(NC)(O)	O(SiCCO)(CNO)	N(CCHH)(COO)	C(OSi)(NC)(O)	O(SiCCO)(CNO)	N(CCHH)(COO)	112.8795	0.261	2	112.8795	0.068	2	112.8795	0.068	2	110.1590	1.176	38	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:1:	5:3:	4:3:	O-2:N-2:H-1:	Nb[6]-5:C-3:	C-4:C-3:	C(ONb[6])(NC)(H)	O(Nb[6]N[6]2NO)(CHN)	N(CC3)(CHO)	C(ONb[6])(NC)(H)	O(Nb[6]N[6]2NO)(CHN)	N(CC3)(CHO)	122.1820	0.000	1	122.1820	0.000	1	122.1820	0.000	1	122.1820	0.000	1	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:2:	3:1:	4:3:	N-2:O-2:O-2:	C-3:H-1:	C-4:C-3:	C(NC)(OC)(OH)	O(CNO)(H)	N(CCHP)(COO)	C(NC)(OC)(OH)	O(CNO)(H)	N(CCHP)(COO)	125.4590	0.000	1	125.4590	0.000	1	125.4590	0.000	1	125.4590	0.000	1	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:2:	4:3:	3:3:	N-2:N-2:O-2:	C-4:C-3:	C-3:C-3:	C(NC)2(OC)	O(CCCH)(CNN)	N(CCH)(CNO)	C(NC)2(OC)	O(CCCH)(CNN)	N(CCH)(CNO)	118.6860	0.000	1	118.6860	0.000	1	114.8252	13.335	5	116.3244	15.908	15	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:2:	4:3:	3:3:	N-2:N-2:O-2:	C-4:C-3:	C-3:C-3:	C(NC)2(OC)	O(CCCH)(CNN)	N(CCN)(CNO)	C(NC)2(OC)	O(CCCH)(CNN)	N(CCN)(CNO)	108.8110	0.000	1	108.8110	0.000	1	114.8252	13.335	5	116.3244	15.908	15	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:2:	4:3:	3:3:	N-2:N-2:O-2:	C-4:C-3:	C-3:C-3:	C(NCu)(NC)(OC)	O(CCHH)(CNN)	N(CNO)2	C(NCu)(NC)(OC)	O(CCHH)(CNN)	N(CNO)2	115.3105	0.629	2	115.3105	0.395	2	114.8252	13.335	5	116.3244	15.908	15	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:2:	4:3:	3:3:	N-2:N-2:O-2:	C-4:C-3:	C-3:C-3:	C(NNi)(NC)(OC)	O(CH3)(CNN)	N(CNO)2	C(NNi)(NC)(OC)	O(CH3)(CNN)	N(CNO)2	116.0080	0.000	1	116.0080	0.000	1	114.8252	13.335	5	116.3244	15.908	15	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:2:	4:3:	3:3:	N-2:O-2:S-2:	C-4:C-3:	C-3:C-3:	C(NC)(OC)(SC)	O(CCHH)(CNS)	N(CC[6a]O)(COS)	C(NC)(OC)(SC)	O(CCHH)(CNS)	N(CC[6a]O)(COS)	119.2845	0.319	2	119.2845	0.102	2	120.4643	2.170	4	116.3244	15.908	15	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:2:	4:3:	3:3:	N-2:O-2:S-2:	C-4:C-3:	C-3:C-3:	C(NC)(OC)(SC)	O(CH3)(CNS)	N(CCC)(COS)	C(NC)(OC)(SC)	O(CH3)(CNS)	N(CCC)(COS)	122.2930	0.000	1	122.2930	0.000	1	120.4643	2.170	4	116.3244	15.908	15	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:2:	4:3:	3:3:	N-2:O-2:S-2:	C-4:C-3:	C-3:C-3:	C(NC)(OC)(SS)	O(CCHH)(CNS)	N(COO)(COS)	C(NC)(OC)(SS)	O(CCHH)(CNS)	N(COO)(COS)	120.9950	0.000	1	120.9950	0.000	1	120.4643	2.170	4	116.3244	15.908	15	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:2:	4:3:	3:3:	N-2:S-2:O-2:	C-4:C-3:	C[6a]-3:C-3:	C(NC[6a])(SAu)(OC)	O(CH3)(CNS)	N(C[6a]C[6a]2)(COS)	C(NC[6a])(SAu)(OC)	O(CH3)(CNS)	N(C[6a]C[6a]2)(COS)	118.8220	0.000	1	118.8220	0.000	1	118.8220	0.000	1	116.3244	15.908	15	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:2:	4:3:	3:3:	O-2:N-2:O-2:	C-4:C-3:	N-3:C-3:	C(ONi)(NN)(OC)	O(CC[6a]HH)(CNO)	N(NNiC)(COO)	C(ONi)(NN)(OC)	O(CC[6a]HH)(CNO)	N(NNiC)(COO)	114.5790	3.815	4	114.5790	14.557	4	114.5790	14.557	4	116.3244	15.908	15	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:2:	4:3:	3:3:	O-2:O-2:N-2:	C[6]-4:C-3:	C-3:C-3:	C(OC[6])(OPt)(NC)	O(C[6]C[6]2H)(CNO)	N(CN[6]S)(COO)	C(OC[6])(OPt)(NC)	O(C[6]C[6]2H)(CNO)	N(CN[6]S)(COO)	111.7450	0.000	1	111.7450	0.000	1	111.7450	0.000	1	116.3244	15.908	15	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:2:	4:3:	4:3:	N-2:O-2:O-2:	C-4:C-3:	C-4:C-3:	C(NC)(OC)(OH)	O(CCHH)(CNO)	N(CCHP)(COO)	C(NC)(OC)(OH)	O(CCHH)(CNO)	N(CCHP)(COO)	110.4210	0.000	1	110.4210	0.000	1	110.4210	0.000	1	110.4210	0.000	1	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:3:	3:3:	3:3:	N-2:O-2:C-3:	C[6a]-3:C-3:	C[6a]-3:C-3:	C(NC[6a])(OC[6a])(CCH)	O(C[6a]C[6a]2)(CCN)	N(C[6a]C[6a]2)(CCO)	C(NC[6a])(OC[6a])(CCH)	O(C[6a]C[6a]2)(CCN)	N(C[6a]C[6a]2)(CCO)	119.3435	0.289	2	119.3435	0.084	2	119.3435	0.084	2	118.3948	1.258	4	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:2:3:	3:3:	3:3:	N-2:O-2:N-3:	C[6a]-3:C-3:	C[5a]-3:C-3:	C(NC[5a])(OC[6a])(NCH)	O(C[6a]C[6a]2)(CNN)	N(C[5a]C[5a]N[5a])(CNO)	C(NC[5a])(OC[6a])(NCH)	O(C[6a]C[6a]2)(CNN)	N(C[5a]C[5a]N[5a])(CNO)	117.4460	0.301	2	117.4460	0.091	2	117.4460	0.091	2	118.3948	1.258	4	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:3:2:	3:1:	3:3:	N-2:C-3:O-2:	C-3:H-1:	C[6a]-3:C-3:	C(NC[6a])(CCP)(OH)	O(CCN)(H)	N(C[6a]C[6a]2)(CCO)	C(NC[6a])(CCP)(OH)	O(CCN)(H)	N(C[6a]C[6a]2)(CCO)	114.3675	0.196	2	114.3675	0.038	2	114.3675	0.038	2	114.3675	0.038	2	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:3:2:	4:3:	3:3:	N-2:N-3:O-2:	C-4:C-3:	C[5]-3:C-3:	C(NC[5])(NCuH)(OC)	O(CH3)(CNN)	N(C[5]N[5]2)(CNO)	C(NC[5])(NCuH)(OC)	O(CH3)(CNN)	N(C[5]N[5]2)(CNO)	115.8225	0.639	2	115.8225	0.408	2	115.8225	0.408	2	115.8225	0.408	2	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:4:2:	3:1:	4:3:	N-2:C-4:O-2:	C-3:H-1:	C[6]-4:C-3:	C(NC[6])(CCHH)(OH)	O(CCN)(H)	N(C[6]C[6,6a]2H)(CCO)	C(NC[6])(CCHH)(OH)	O(CCN)(H)	N(C[6]C[6,6a]2H)(CCO)	118.1090	0.000	1	118.1090	0.000	1	118.1090	0.000	1	118.1090	0.000	1	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:4:2:	3:3:	3:3:	N-2:C-4:O-2:	C-3:C-3:	C[6a]-3:C-3:	C(NC[6a])(CF3)(OC)	O(CCC)(CCN)	N(C[6a]C[6a]2)(CCO)	C(NC[6a])(CF3)(OC)	O(CCC)(CCN)	N(C[6a]C[6a]2)(CCO)	128.0485	7.301	2	128.0485	53.303	2	128.0485	53.303	2	128.0485	53.303	2	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:4:2:	3:3:	4:3:	O-2:C-4:N-2:	N[6]-3:C-3:	C-4:C-3:	C(ON[6])(CCCH)(NC)	O(N[6]S[6]2)(CCN)	N(CC3)(CCO)	C(ON[6])(CCCH)(NC)	O(N[6]S[6]2)(CCN)	N(CC3)(CCO)	117.0700	0.000	1	117.0700	0.000	1	117.0700	0.000	1	117.0700	0.000	1	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:4:2:	4:3:	3:1:	O-2:C-4:N-2:	C[6,6]-4:C-3:	C-3:H-1:	C(OC[6,6])(CCl3)(NH)	O(C[6,6]C[3x6]2H)(CCN)	N(CCO)(H)	C(OC[6,6])(CCl3)(NH)	O(C[6,6]C[3x6]2H)(CCN)	N(CCO)(H)	124.6650	0.000	1	124.6650	0.000	1	124.6650	0.000	1	123.8525	1.320	2	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:4:2:	4:3:	3:1:	O-2:C-4:N-2:	C[6]-4:C-3:	C-3:H-1:	C(OC[6])(CCl3)(NH)	O(C[6]C[6]O[6]H)(CCN)	N(CCO)(H)	C(OC[6])(CCl3)(NH)	O(C[6]C[6]O[6]H)(CCN)	N(CCO)(H)	123.0400	0.000	1	123.0400	0.000	1	123.0400	0.000	1	123.8525	1.320	2	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:4:2:	4:3:	3:2:	O-2:C-4:N-2:	Si[5,6]-4:C-3:	C-3:N-2:	C(OSi[5,6])(CH3)(NN)	O(Si[5,6]N[5,6]C[6]O[5])(CCN)	N(CCO)(NC)	C(OSi[5,6])(CH3)(NN)	O(Si[5,6]N[5,6]C[6]O[5])(CCN)	N(CCO)(NC)	122.7005	0.473	2	122.7005	0.224	2	122.7005	0.224	2	122.8860	0.215	3	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:4:2:	4:3:	3:2:	O-2:C-4:N-2:	Si[5]-4:C-3:	C-3:N-2:	C(OSi[5])(CH3)(NN)	O(Si[5]N[5]O[5]C)(CCN)	N(CCO)(NC)	C(OSi[5])(CH3)(NN)	O(Si[5]N[5]O[5]C)(CCN)	N(CCO)(NC)	123.2570	0.000	1	123.2570	0.000	1	123.2570	0.000	1	122.8860	0.215	3	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:4:2:	4:3:	3:3:	N-2:C-4:O-2:	C-4:C-3:	C[5]-3:C-3:	C(NC[5])(CH3)(OC)	O(CCHH)(CCN)	N(C[5]N[5,6]C[5])(CCO)	C(NC[5])(CH3)(OC)	O(CCHH)(CCN)	N(C[5]N[5,6]C[5])(CCO)	119.9030	0.000	1	119.9030	0.000	1	119.9030	0.000	1	121.1891	5.704	7	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:4:2:	4:3:	3:3:	N-2:C-4:O-2:	C-4:C-3:	C[5a]-3:C-3:	C(NC[5a])(CF3)(OC)	O(CC3)(CCN)	N(C[5a]C[5a]O[5a])(CCO)	C(NC[5a])(CF3)(OC)	O(CC3)(CCN)	N(C[5a]C[5a]O[5a])(CCO)	124.9810	0.000	1	124.9810	0.000	1	124.9810	0.000	1	121.1891	5.704	7	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:4:2:	4:3:	3:3:	N-2:C-4:O-2:	C-4:C-3:	C[6a]-3:C-3:	C(NC[6a])(CCHH)(OC)	O(CCHH)(CCN)	N(C[6a]C[6a]2)(CCO)	C(NC[6a])(CCHH)(OC)	O(CCHH)(CCN)	N(C[6a]C[6a]2)(CCO)	121.0695	1.121	2	121.0695	1.256	2	121.3760	2.490	4	121.1891	5.704	7	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:4:2:	4:3:	3:3:	N-2:C-4:O-2:	C-4:C-3:	C[6a]-3:C-3:	C(NC[6a])(CF3)(OC)	O(CC[6]HH)(CCN)	N(C[6a]C[6a]2)(CCO)	C(NC[6a])(CF3)(OC)	O(CC[6]HH)(CCN)	N(C[6a]C[6a]2)(CCO)	123.3910	0.000	1	123.3910	0.000	1	121.3760	2.490	4	121.1891	5.704	7	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:4:2:	4:3:	3:3:	N-2:C-4:O-2:	C-4:C-3:	C[6a]-3:C-3:	C(NC[6a])(CH3)(OC)	O(CCHH)(CCN)	N(C[6a]C[6a]2)(CCO)	C(NC[6a])(CH3)(OC)	O(CCHH)(CCN)	N(C[6a]C[6a]2)(CCO)	119.9740	0.000	1	119.9740	0.000	1	121.3760	2.490	4	121.1891	5.704	7	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	2:4:2:	4:3:	3:3:	N-2:C-4:O-2:	C-4:C-3:	N[5]-3:C-3:	C(NN[5])(CCHH)(OC)	O(CCHH)(CCN)	N(N[5]C[5]2)(CCO)	C(NN[5])(CCHH)(OC)	O(CCHH)(CCN)	N(N[5]C[5]2)(CCO)	117.9360	0.000	1	117.9360	0.000	1	117.9360	0.000	1	121.1891	5.704	7	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	3:1:	3:1:	C-3:N-2:O-2:	C-3:H-1:	C-3:H-1:	C(CCC)(NH)(OH)	O(CCN)(H)	N(CCO)(H)	C(CCC)(NH)(OH)	O(CCN)(H)	N(CCO)(H)	120.6800	0.000	1	120.6800	0.000	1	120.6800	0.000	1	120.6800	0.000	1	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	3:1:	3:2:	C[5a]-3:N-2:O-2:	C-3:H-1:	C-3:N-2:	C(C[5a]C[5a]O[5a])(NN)(OH)	O(CC[5a]N)(H)	N(CC[5a]O)(NC)	C(C[5a]C[5a]O[5a])(NN)(OH)	O(CC[5a]N)(H)	N(CC[5a]O)(NC)	124.2820	0.000	1	124.2820	0.000	1	124.2820	0.000	1	124.2820	0.000	1	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	3:1:	3:3:	C[6a]-3:N-2:O-2:	C-3:H-1:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(OH)	O(CC[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a])(OH)	O(CC[6a]N)(H)	N(C[6a]C[6a]2)(CC[6a]O)	129.1530	0.000	1	129.1530	0.000	1	129.1530	0.000	1	125.3725	28.584	2	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	3:1:	3:3:	N-3:N-2:O-2:	C-3:H-1:	C[6a]-3:C-3:	C(NC[6a]2)(NC[6a])(OH)	O(CNN)(H)	N(C[6a]C[6a]2)(CNO)	C(NC[6a]2)(NC[6a])(OH)	O(CNN)(H)	N(C[6a]C[6a]2)(CNO)	121.5920	0.000	1	121.5920	0.000	1	121.5920	0.000	1	125.3725	28.584	2	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	3:1:	4:3:	C-3:N-2:O-2:	C-3:H-1:	C-4:C-3:	C(CCC)(NC)(OH)	O(CCN)(H)	N(CH3)(CCO)	C(CCC)(NC)(OH)	O(CCN)(H)	N(CH3)(CCO)	115.9460	0.936	2	115.9460	0.876	2	115.9460	0.876	2	115.9460	0.876	2	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	3:2:	3:3:	C[6a]-3:N-2:O-2:	C-3:N-2:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(ON)	O(CC[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a])(ON)	O(CC[6a]N)(NC)	N(C[6a]C[6a]2)(CC[6a]O)	131.2130	0.000	1	131.2130	0.000	1	131.2130	0.000	1	131.2130	0.000	1	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	3:3:	3:2:	C[6a]-3:N-2:O-2:	C-3:C-3:	C-3:N-2:	C(C[6a]C[6a]2)(NN)(OC)	O(CC[6a]N)(CC[6a]O)	N(CC[6a]O)(NC[5])	C(C[6a]C[6a]2)(NN)(OC)	O(CC[6a]N)(CC[6a]O)	N(CC[6a]O)(NC[5])	122.7115	0.012	2	122.7115	0.000	2	122.7115	0.000	2	121.5943	2.048	4	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	3:3:	3:2:	C[6a]-3:N-2:O-2:	C-3:C-3:	C-3:O-2:	C(C[6a]C[6a]2)(NO)(OC)	O(CC[6a]N)(CC[6a]O)	N(CC[6a]O)(OC)	C(C[6a]C[6a]2)(NO)(OC)	O(CC[6a]N)(CC[6a]O)	N(CC[6a]O)(OC)	121.2360	0.000	1	121.2360	0.000	1	121.2360	0.000	1	121.5943	2.048	4	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	3:3:	3:2:	N-3:O-2:N-2:	C[6a]-3:C-3:	C-3:C-2:	C(NC[6a]H)(OC[6a])(NC)	O(C[6a]C[6a]2)(CNN)	N(CNO)(CN)	C(NC[6a]H)(OC[6a])(NC)	O(C[6a]C[6a]2)(CNN)	N(CNO)(CN)	119.7180	0.000	1	119.7180	0.000	1	119.7180	0.000	1	121.5943	2.048	4	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	3:3:	3:3:	C[6a]-3:N-2:O-2:	C[6a]-3:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(OC[6a])	O(C[6a]C[6a]2)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a])(OC[6a])	O(C[6a]C[6a]2)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)	118.7870	1.162	2	118.7870	1.351	2	118.7870	1.351	2	118.7865	4.718	4	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	3:3:	3:3:	C[6a]-3:O-2:N-2:	C[6a]-3:C-3:	N[6]-3:C-3:	C(C[6a]C[6a]2)(OC[6a])(NN[6])	O(C[6a]C[6a]2)(CC[6a]N)	N(N[6]C[6]2)(CC[6a]O)	C(C[6a]C[6a]2)(OC[6a])(NN[6])	O(C[6a]C[6a]2)(CC[6a]N)	N(N[6]C[6]2)(CC[6a]O)	121.3160	0.000	1	121.3160	0.000	1	121.3160	0.000	1	118.7865	4.718	4	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	3:3:	3:3:	P[5]-3:N-2:O-2:	P[5]-3:C-3:	C[6a]-3:C-3:	C(P[5]N[5]2)(NC[6a])(OP[5])	O(P[5]N[5]2)(CP[5]N)	N(C[6a]C[6a]2)(CP[5]O)	C(P[5]N[5]2)(NC[6a])(OP[5])	O(P[5]N[5]2)(CP[5]N)	N(C[6a]C[6a]2)(CP[5]O)	116.2560	0.000	1	116.2560	0.000	1	116.2560	0.000	1	118.7865	4.718	4	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	3:4:	3:1:	C[5a]-3:N-2:O-2:	C-3:C-4:	C-3:H-1:	C(C[5a]C[5a]O[5a])(NH)(OC)	O(CC[5a]N)(CH3)	N(CC[5a]O)(H)	C(C[5a]C[5a]O[5a])(NH)(OC)	O(CC[5a]N)(CH3)	N(CC[5a]O)(H)	122.8890	0.000	1	122.8890	0.000	1	122.8890	0.000	1	121.7050	2.804	2	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	3:4:	3:1:	C[6a]-3:N-2:O-2:	C-3:C-4:	C-3:H-1:	C(C[6a]C[6a]2)(NH)(OC)	O(CC[6a]N)(CH3)	N(CC[6a]O)(H)	C(C[6a]C[6a]2)(NH)(OC)	O(CC[6a]N)(CH3)	N(CC[6a]O)(H)	120.5210	0.000	1	120.5210	0.000	1	120.5210	0.000	1	121.7050	2.804	2	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	3:4:	3:2:	C[6a]-3:N-2:O-2:	C-3:C-4:	C-3:C-2:	C(C[6a]C[6a]2)(NC)(OC)	O(CC[6a]N)(CH3)	N(CC[6a]O)(CN)	C(C[6a]C[6a]2)(NC)(OC)	O(CC[6a]N)(CH3)	N(CC[6a]O)(CN)	120.9690	0.000	1	120.9690	0.000	1	120.9690	0.000	1	120.9690	0.000	1	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	3:4:	3:3:	C[6a]-3:N-2:O-2:	C-3:C-4:	C-3:C-3:	C(C[6a]C[6a]2)(NC)(OC)	O(CC[6a]N)(CH3)	N(CC[6a]O)(CNS)	C(C[6a]C[6a]2)(NC)(OC)	O(CC[6a]N)(CH3)	N(CC[6a]O)(CNS)	119.1340	0.000	1	119.1340	0.000	1	120.3705	3.058	2	120.8226	1.282	5	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	3:4:	3:3:	C[6a]-3:N-2:O-2:	C-3:C-4:	C-3:C-3:	C(C[6a]C[6a]N[6a])(NC)(OC)	O(CC[6a]N)(CCHH)	N(CC[6a]O)2	C(C[6a]C[6a]N[6a])(NC)(OC)	O(CC[6a]N)(CCHH)	N(CC[6a]O)2	121.6070	0.000	1	121.6070	0.000	1	120.3705	3.058	2	120.8226	1.282	5	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	3:4:	3:3:	C[6a]-3:N-2:O-2:	C-3:C-4:	C-3:N-3:	C(C[6a]C[6a]2)(NN)(OC)	O(CC[6a]N)(CCHH)	N(CC[6a]O)(NCH)	C(C[6a]C[6a]2)(NN)(OC)	O(CC[6a]N)(CCHH)	N(CC[6a]O)(NCH)	121.5960	0.226	2	121.5960	0.051	2	121.5960	0.051	2	120.8226	1.282	5	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	3:4:	3:3:	C[6a]-3:N-2:O-2:	C-3:C-4:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(OC)	O(CC[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a])(OC)	O(CC[6a]N)(CH3)	N(C[6a]C[6a]2)(CC[6a]O)	120.1800	0.000	1	120.1800	0.000	1	120.1800	0.000	1	120.8226	1.282	5	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	3:4:	3:4:	C[5a]-3:N-2:O-2:	C-3:C-4:	C-3:C-4:	C(C[5a]C[5a]O[5a])(NC)(OC)	O(CC[5a]N)(CCHH)	N(CC[5a]O)(CCHH)	C(C[5a]C[5a]O[5a])(NC)(OC)	O(CC[5a]N)(CCHH)	N(CC[5a]O)(CCHH)	127.5760	0.000	1	127.5760	0.000	1	127.3207	0.054	3	126.7672	1.261	4	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	3:4:	3:4:	C[5a]-3:N-2:O-2:	C-3:C-4:	C-3:C-4:	C(C[5a]C[5a]S[5a])(NC)(OC)	O(CC[5a]N)(CCHH)	N(CC[5a]O)(CCHH)	C(C[5a]C[5a]S[5a])(NC)(OC)	O(CC[5a]N)(CCHH)	N(CC[5a]O)(CCHH)	127.1930	0.105	2	127.1930	0.011	2	127.3207	0.054	3	126.7672	1.261	4	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	3:4:	3:4:	C[6a]-3:N-2:O-2:	C-3:C-4:	C-3:C-4:	C(C[6a]C[6a]2)(NC)(OC)	O(CC[6a]N)(CCHH)	N(CC[6a]O)(CCHH)	C(C[6a]C[6a]2)(NC)(OC)	O(CC[6a]N)(CCHH)	N(CC[6a]O)(CCHH)	125.1070	0.000	1	125.1070	0.000	1	125.1070	0.000	1	126.7672	1.261	4	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	3:4:	4:3:	C[6a]-3:N-2:O-2:	C-3:C-4:	S-4:C-3:	C(C[6a]C[6a]2)(NS)(OC)	O(CC[6a]N)(CCHH)	N(SC[6a]OO)(CC[6a]O)	C(C[6a]C[6a]2)(NS)(OC)	O(CC[6a]N)(CCHH)	N(SC[6a]OO)(CC[6a]O)	118.8650	0.000	1	118.8650	0.000	1	118.8650	0.000	1	118.8650	0.000	1	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	4:3:	3:3:	C-3:N-2:O-2:	C-4:C-3:	C-3:C-3:	C(CCC)(NC)(OC)	O(CH3)(CCN)	N(CCO)2	C(CCC)(NC)(OC)	O(CH3)(CCN)	N(CCO)2	117.6680	0.000	1	117.6680	0.000	1	118.0910	0.358	2	119.6667	10.903	23	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	4:3:	3:3:	C-3:N-2:O-2:	C-4:C-3:	C-3:C-3:	C(CCH)(NC)(OC)	O(CH3)(CCN)	N(CCO)2	C(CCH)(NC)(OC)	O(CH3)(CCN)	N(CCO)2	118.5140	0.000	1	118.5140	0.000	1	118.0910	0.358	2	119.6667	10.903	23	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	4:3:	3:3:	C-3:N-2:O-2:	C-4:C-3:	C-3:S-3:	C(CCN)(NS)(OC)	O(CH3)(CCN)	N(CCO)(SCO)	C(CCN)(NS)(OC)	O(CH3)(CCN)	N(CCO)(SCO)	120.7410	0.000	1	120.7410	0.000	1	121.2077	0.504	6	119.6667	10.903	23	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	4:3:	3:3:	C-3:N-2:O-2:	C-4:C-3:	C-3:S-3:	C(CC[6a]N)(NS)(OC)	O(CH3)(CCN)	N(CCO)(SCO)	C(CC[6a]N)(NS)(OC)	O(CH3)(CCN)	N(CCO)(SCO)	121.3010	0.752	5	121.3010	0.565	5	121.2077	0.504	6	119.6667	10.903	23	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	4:3:	3:3:	C[6a]-3:O-2:N-2:	C[5]-4:C-3:	C-3:C-3:	C(C[6a]C[6a]2)(OC[5])(NC)	O(C[5]C[6a]C[5]N[5])(CC[6a]N)	N(CC[6a]N)(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(NC)	O(C[5]C[6a]C[5]N[5])(CC[6a]N)	N(CC[6a]N)(CC[6a]O)	118.0840	0.000	1	118.0840	0.000	1	118.0840	0.000	1	119.6667	10.903	23	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	4:3:	3:3:	C[6a]-3:O-2:N-2:	Si-4:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OSi)(NN)	O(SiC[6a]2O)(CC[6a]N)	N(CC[6a]O)(NCC)	C(C[6a]C[6a]2)(OSi)(NN)	O(SiC[6a]2O)(CC[6a]N)	N(CC[6a]O)(NCC)	125.7875	0.129	2	125.7875	0.017	2	125.7875	0.017	2	119.6667	10.903	23	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	4:3:	3:3:	N-3:N-2:O-2:	C-4:C-3:	C-3:C-3:	C(NCH)(NC)(OC)	O(CH3)(CNN)	N(CCH)(CNO)	C(NCH)(NC)(OC)	O(CH3)(CNN)	N(CCH)(CNO)	122.6640	0.000	1	122.6640	0.000	1	117.1338	4.376	10	119.6667	10.903	23	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	4:3:	3:3:	N-3:N-2:O-2:	C-4:C-3:	C-3:C-3:	C(NCuH)(NC)(OC)	O(CH3)(CNN)	N(CNO)2	C(NCuH)(NC)(OC)	O(CH3)(CNN)	N(CNO)2	115.9423	0.526	4	115.9423	0.276	4	117.1338	4.376	10	119.6667	10.903	23	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	4:3:	3:3:	N-3:N-2:O-2:	C-4:C-3:	C-3:C-3:	C(NNiH)(NC)(OC)	O(CCHH)(CNN)	N(CNN)(CNO)	C(NNiH)(NC)(OC)	O(CCHH)(CNN)	N(CNN)(CNO)	117.1250	0.000	1	117.1250	0.000	1	117.1338	4.376	10	119.6667	10.903	23	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	4:3:	3:3:	N-3:N-2:O-2:	C-4:C-3:	C-3:C-3:	C(NNiH)(NC)(OC)	O(CH3)(CNN)	N(CNN)(CNO)	C(NNiH)(NC)(OC)	O(CH3)(CNN)	N(CNN)(CNO)	117.1100	0.000	1	117.1100	0.000	1	117.1338	4.376	10	119.6667	10.903	23	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	4:3:	3:3:	N-3:N-2:O-2:	C-4:C-3:	C-3:C-3:	C(NNiH)(NC)(OC)	O(CH3)(CNN)	N(CNO)2	C(NNiH)(NC)(OC)	O(CH3)(CNN)	N(CNO)2	116.8900	1.028	3	116.8900	1.057	3	117.1338	4.376	10	119.6667	10.903	23	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	4:3:	3:3:	N-3:O-2:N-2:	Si-4:C-3:	C-3:N-3:	C(NCC)(OSi)(NN)	O(SiC[6a]2O)(CNN)	N(CNO)(NCC)	C(NCC)(OSi)(NN)	O(SiC[6a]2O)(CNN)	N(CNO)(NCC)	123.9540	0.109	2	123.9540	0.012	2	123.9540	0.012	2	119.6667	10.903	23	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	4:3:	4:3:	C-3:N-2:O-2:	C-4:C-3:	C[6]-4:C-3:	C(CC[6a]N)(NC[6])(OC)	O(CCCH)(CCN)	N(C[6]C[6]2H)(CCO)	C(CC[6a]N)(NC[6])(OC)	O(CCCH)(CCN)	N(C[6]C[6]2H)(CCO)	122.3830	0.363	2	122.3830	0.132	2	122.3830	0.132	2	119.2120	21.444	5	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	4:3:	4:3:	C-3:N-2:O-2:	C-4:C-3:	S-4:C-3:	C(CCH)(NS)(OC)	O(CCHH)(CCN)	N(SC[6a]OO)(CCO)	C(CCH)(NS)(OC)	O(CCHH)(CCN)	N(SC[6a]OO)(CCO)	119.8810	0.000	1	119.8810	0.000	1	120.0440	0.053	2	119.2120	21.444	5	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	4:3:	4:3:	C-3:N-2:O-2:	C-4:C-3:	S-4:C-3:	C(CC[6a]N)(NS)(OC)	O(CH3)(CCN)	N(SCOO)(CCO)	C(CC[6a]N)(NS)(OC)	O(CH3)(CCN)	N(SCOO)(CCO)	120.2070	0.000	1	120.2070	0.000	1	120.0440	0.053	2	119.2120	21.444	5	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	4:3:	4:3:	N-3:N-2:O-2:	C-4:C-3:	C-4:C-3:	C(NPdC)(NC)(OC)	O(CC[6a]HH)(CNN)	N(CCCH)(CNO)	C(NPdC)(NC)(OC)	O(CC[6a]HH)(CNN)	N(CCCH)(CNO)	111.2060	0.000	1	111.2060	0.000	1	111.2060	0.000	1	119.2120	21.444	5	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	5:3:	3:3:	C[6a]-3:O-2:N-2:	Si[5]-5:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OSi[5])(NN)	O(Si[5]C[6a]N[5]O[5]H)(CC[6a]N)	N(CC[6a]O)(NCC)	C(C[6a]C[6a]2)(OSi[5])(NN)	O(Si[5]C[6a]N[5]O[5]H)(CC[6a]N)	N(CC[6a]O)(NCC)	124.6300	0.000	1	124.6300	0.000	1	121.6405	17.874	2	121.6405	17.874	2	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	5:3:	3:3:	C[6a]-3:O-2:N-2:	Si[5]-5:C-3:	C-3:N-3:	C(C[6a]C[6a]2)(OSi[5])(NN)	O(Si[5]N[5]O[5]Br2)(CC[6a]N)	N(CC[6a]O)(NCC)	C(C[6a]C[6a]2)(OSi[5])(NN)	O(Si[5]N[5]O[5]Br2)(CC[6a]N)	N(CC[6a]O)(NCC)	118.6510	0.000	1	118.6510	0.000	1	121.6405	17.874	2	121.6405	17.874	2	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	6:3:	3:3:	C[6a]-3:N-2:O-2:	Nb[4]-6:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(NC[6a])(ONb[4])	O(Nb[4]N[4]O[4]N3)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a])(ONb[4])	O(Nb[4]N[4]O[4]N3)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)	124.9950	0.000	2	124.9950	0.000	2	124.9950	0.000	2	124.9950	0.000	2	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	3:2:2:	7:3:	3:3:	C[6a]-3:O-2:N-2:	Nb[3,3]-7:C-3:	C[6a]-3:C-3:	C(C[6a]C[6a]2)(ONb[3,3])(NC[6a])	O(Nb[3,3]C[3,3]N[3]O[3]N3)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)	C(C[6a]C[6a]2)(ONb[3,3])(NC[6a])	O(Nb[3,3]C[3,3]N[3]O[3]N3)(CC[6a]N)	N(C[6a]C[6a]2)(CC[6a]O)	125.0180	0.000	2	125.0180	0.000	2	125.0180	0.000	2	125.0180	0.000	2	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	4:2:2:	3:3:	4:3:	C-4:N-2:O-2:	C-3:C-3:	S-4:C-3:	C(CC[6a]HH)(NS)(OC)	O(CCC)(CCN)	N(SC[6a]OO)(CCO)	C(CC[6a]HH)(NS)(OC)	O(CCC)(CCN)	N(SC[6a]OO)(CCO)	121.3660	0.000	1	121.3660	0.000	1	121.3660	0.000	1	121.3660	0.000	1	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	4:2:2:	3:4:	3:1:	C[5]-4:N-2:O-2:	C-3:C-4:	C-3:H-1:	C(C[5]C[5]O[5]C)(NH)(OC)	O(CC[5]N)(CH3)	N(CC[5]O)(H)	C(C[5]C[5]O[5]C)(NH)(OC)	O(CC[5]N)(CH3)	N(CC[5]O)(H)	122.9197	1.049	3	122.9197	1.101	3	122.9197	1.101	3	122.9197	1.101	3	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	4:2:2:	3:4:	3:3:	C[3]-4:N-2:O-2:	C-3:C-4:	C-3:S-3:	C(C[3]C[6a]C[3]O[3])(NS)(OC)	O(CC[3]N)(CH3)	N(CC[3]O)(SCO)	C(C[3]C[6a]C[3]O[3])(NS)(OC)	O(CC[3]N)(CH3)	N(CC[3]O)(SCO)	120.7620	0.000	1	120.7620	0.000	1	120.7620	0.000	1	120.4595	0.183	2	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	4:2:2:	3:4:	3:3:	C[5]-4:N-2:O-2:	C-3:C-4:	C[6a]-3:C-3:	C(C[5]C[5]2Fe)(NC[6a])(OC)	O(CC[5]N)(CH3)	N(C[6a]C[6a]2)(CC[5]O)	C(C[5]C[5]2Fe)(NC[6a])(OC)	O(CC[5]N)(CH3)	N(C[6a]C[6a]2)(CC[5]O)	120.1570	0.000	1	120.1570	0.000	1	120.1570	0.000	1	120.4595	0.183	2	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	4:2:2:	4:3:	2:3:	C-4:O-2:N-2:	Si-4:C-3:	N-2:C-3:	C(CH3)(OSi)(NN)	O(SiCCO)(CCN)	N(NC[5])(CCO)	C(CH3)(OSi)(NN)	O(SiCCO)(CCN)	N(NC[5])(CCO)	123.3980	0.000	1	123.3980	0.000	1	123.3980	0.000	1	123.3980	0.000	1	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	4:2:2:	4:3:	3:1:	C-4:N-2:O-2:	C-4:C-3:	C-3:H-1:	C(CCl3)(NH)(OC)	O(CC[6a]HH)(CCN)	N(CCO)(H)	C(CCl3)(NH)(OC)	O(CC[6a]HH)(CCN)	N(CCO)(H)	123.6640	0.000	1	123.6640	0.000	1	123.6640	0.000	1	123.6640	0.000	1	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	4:2:2:	4:3:	3:2:	C-4:N-2:O-2:	C-4:C-3:	C-3:O-2:	C(CH3)(NO)(OC)	O(CCHH)(CCN)	N(CCO)(OH)	C(CH3)(NO)(OC)	O(CCHH)(CCN)	N(CCO)(OH)	120.2050	0.000	1	120.2050	0.000	1	120.2050	0.000	1	122.3697	3.529	3	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	4:2:2:	4:3:	3:2:	C-4:O-2:N-2:	Si-4:C-3:	C-3:N-2:	C(CH3)(OSi)(NN)	O(SiC[6a]2O)(CCN)	N(CCO)(NC)	C(CH3)(OSi)(NN)	O(SiC[6a]2O)(CCN)	N(CCO)(NC)	123.4520	0.174	2	123.4520	0.030	2	123.4520	0.030	2	122.3697	3.529	3	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	4:2:2:	4:3:	3:3:	C-4:N-2:O-2:	C-4:C-3:	C-3:C-3:	C(CCHH)(NC)(OC)	O(CCHH)(CCN)	N(CCN)(CCO)	C(CCHH)(NC)(OC)	O(CCHH)(CCN)	N(CCN)(CCO)	118.8850	0.000	1	118.8850	0.000	1	120.6075	5.934	2	121.6137	12.842	15	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	4:2:2:	4:3:	3:3:	C-4:N-2:O-2:	C-4:C-3:	C-3:C-3:	C(CN[5a]HH)(NC)(OC)	O(CCHH)(CCN)	N(CCC)(CCO)	C(CN[5a]HH)(NC)(OC)	O(CCHH)(CCN)	N(CCC)(CCO)	122.3300	0.000	1	122.3300	0.000	1	120.6075	5.934	2	121.6137	12.842	15	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	4:2:2:	4:3:	3:3:	C-4:N-2:O-2:	C-4:C-3:	C-3:S-3:	C(CCCH)(NS)(OC)	O(CH3)(CCN)	N(CCO)(SCO)	C(CCCH)(NS)(OC)	O(CH3)(CCN)	N(CCO)(SCO)	118.9997	0.566	3	118.9997	0.321	3	119.3590	0.197	9	121.6137	12.842	15	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	4:2:2:	4:3:	3:3:	C-4:N-2:O-2:	C-4:C-3:	C-3:S-3:	C(CCHS)(NS)(OC)	O(CH3)(CCN)	N(CCO)(SCO)	C(CCHS)(NS)(OC)	O(CH3)(CCN)	N(CCO)(SCO)	119.8090	0.000	1	119.8090	0.000	1	119.3590	0.197	9	121.6137	12.842	15	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	4:2:2:	4:3:	3:3:	C-4:N-2:O-2:	C-4:C-3:	C-3:S-3:	C(CC[6a]CN)(NS)(OC)	O(CH3)(CCN)	N(CCO)(SCO)	C(CC[6a]CN)(NS)(OC)	O(CH3)(CCN)	N(CCO)(SCO)	119.3290	0.000	1	119.3290	0.000	1	119.3590	0.197	9	121.6137	12.842	15	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	4:2:2:	4:3:	3:3:	C-4:N-2:O-2:	C-4:C-3:	C-3:S-3:	C(CC[6a]C[6]H)(NS)(OC)	O(CH3)(CCN)	N(CCO)(SCO)	C(CC[6a]C[6]H)(NS)(OC)	O(CH3)(CCN)	N(CCO)(SCO)	119.3700	0.130	2	119.3700	0.017	2	119.3590	0.197	9	121.6137	12.842	15	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	4:2:2:	4:3:	3:3:	C-4:N-2:O-2:	C-4:C-3:	C-3:S-3:	C(CC[6a]HN)(NS)(OC)	O(CH3)(CCN)	N(CCO)(SCO)	C(CC[6a]HN)(NS)(OC)	O(CH3)(CCN)	N(CCO)(SCO)	119.4250	0.000	1	119.4250	0.000	1	119.3590	0.197	9	121.6137	12.842	15	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	4:2:2:	4:3:	3:3:	C-4:N-2:O-2:	C-4:C-3:	C-3:S-3:	C(CC[6a]HS)(NS)(OC)	O(CH3)(CCN)	N(CCO)(SCO)	C(CC[6a]HS)(NS)(OC)	O(CH3)(CCN)	N(CCO)(SCO)	119.9290	0.000	1	119.9290	0.000	1	119.3590	0.197	9	121.6137	12.842	15	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	4:2:2:	4:3:	3:3:	C-4:O-2:N-2:	Si-4:C-3:	C-3:N-3:	C(CF3)(OSi)(NN)	O(SiC[6]ClO)(CCN)	N(CCO)(NCC)	C(CF3)(OSi)(NN)	O(SiC[6]ClO)(CCN)	N(CCO)(NCC)	127.2765	0.299	2	127.2765	0.089	2	127.1898	0.043	4	121.6137	12.842	15	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	4:2:2:	4:3:	3:3:	C-4:O-2:N-2:	Si-4:C-3:	C-3:N-3:	C(CF3)(OSi)(NN)	O(SiC[6a]HO)(CCN)	N(CCO)(NCC)	C(CF3)(OSi)(NN)	O(SiC[6a]HO)(CCN)	N(CCO)(NCC)	127.1030	0.099	2	127.1030	0.010	2	127.1898	0.043	4	121.6137	12.842	15	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	4:2:2:	4:3:	4:3:	C-4:N-2:O-2:	C-4:C-3:	S-4:C-3:	C(CBrCH)(NS)(OC)	O(CCHH)(CCN)	N(SC[6a]OO)(CCO)	C(CBrCH)(NS)(OC)	O(CCHH)(CCN)	N(SC[6a]OO)(CCO)	119.4820	0.000	1	119.4820	0.000	1	119.3465	1.461	6	119.3465	1.461	6	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	4:2:2:	4:3:	4:3:	C-4:N-2:O-2:	C-4:C-3:	S-4:C-3:	C(CC[3]BrH)(NS)(OC)	O(CCHH)(CCN)	N(SC[6a]OO)(CCO)	C(CC[3]BrH)(NS)(OC)	O(CCHH)(CCN)	N(SC[6a]OO)(CCO)	121.5660	0.000	1	121.5660	0.000	1	119.3465	1.461	6	119.3465	1.461	6	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	4:2:2:	4:3:	4:3:	C-4:N-2:O-2:	C-4:C-3:	S-4:C-3:	C(CC[6a]CH)(NS)(OC)	O(CH3)(CCN)	N(SCOO)(CCO)	C(CC[6a]CH)(NS)(OC)	O(CH3)(CCN)	N(SCOO)(CCO)	119.3010	0.000	1	119.3010	0.000	1	119.3465	1.461	6	119.3465	1.461	6	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	4:2:2:	4:3:	4:3:	C-4:N-2:O-2:	C-4:C-3:	S-4:C-3:	C(CC[6a]CO)(NS)(OC)	O(CH3)(CCN)	N(SCOO)(CCO)	C(CC[6a]CO)(NS)(OC)	O(CH3)(CCN)	N(SCOO)(CCO)	118.1780	0.000	1	118.1780	0.000	1	119.3465	1.461	6	119.3465	1.461	6	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	4:2:2:	4:3:	4:3:	C-4:N-2:O-2:	C-4:C-3:	S-4:C-3:	C(CC[6a]HH)(NS)(OC)	O(CCHH)(CCN)	N(SC[6a]OO)(CCO)	C(CC[6a]HH)(NS)(OC)	O(CCHH)(CCN)	N(SC[6a]OO)(CCO)	119.1910	0.000	1	119.1910	0.000	1	119.3465	1.461	6	119.3465	1.461	6	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	4:2:2:	4:3:	4:3:	C-4:N-2:O-2:	C-4:C-3:	S-4:C-3:	C(CH3)(NS)(OC)	O(CCCH)(CCN)	N(SC[6a]OO)(CCO)	C(CH3)(NS)(OC)	O(CCCH)(CCN)	N(SC[6a]OO)(CCO)	118.3610	0.000	1	118.3610	0.000	1	119.3465	1.461	6	119.3465	1.461	6	116.0624	41.299	243	116.0624	41.299	243
930	893	941	0:SP2_SP2_SP2	C	O	N	4:2:2:	5:3:	4:3:	C-4:O-2:N-2:	In-5:C-3:	C-4:C-3:	C(CHHN)(OIn)(NC)	O(InO4)(CCN)	N(CC[6a]HH)(CCO)	C(CHHN)(OIn)(NC)	O(InO4)(CCN)	N(CC[6a]HH)(CCO)	123.0865	1.203	2	123.0865	1.447	2	123.0865	1.447	2	123.0865	1.447	2	116.0624	41.299	243	116.0624	41.299	243
930	893	945	0:SP2_SP2_SP3	C	O	P	2:3:3:	3:3:	4:3:3:	O-2:N-3:P-3:	C[6a]-3:C-3:	C-4:C-3:C-3:	C(OC[6a])(NAlH)(PCC)	O(C[6a]C[6a]2)(CNP)	P(CSi2H)(CAlC)(CNO)	C(OC[6a])(NAlH)(PCC)	O(C[6a]C[6a]2)(CNP)	P(CSi2H)(CAlC)(CNO)	115.0980	0.000	1	115.0980	0.000	1	115.0980	0.000	1	115.0980	0.000	1	115.7939	12.937	12	115.7939	12.937	12
930	893	945	0:SP2_SP2_SP3	C	O	P	3:2:1:	3:3:	3:4:3:	P-3:O-2:O-1:	B-3:C-3:	C[6a]-3:C-4:C-3:	C(PC[6a]C)(OB)(O)	O(BNN)(COP)	P(C[6a]C[6a]2)(CC3)(COO)	C(PC[6a]C)(OB)(O)	O(BNN)(COP)	P(C[6a]C[6a]2)(CC3)(COO)	113.4295	1.146	2	113.4295	1.314	2	113.4295	1.314	2	113.4295	1.314	2	115.7939	12.937	12	115.7939	12.937	12
930	893	945	0:SP2_SP2_SP3	C	O	P	3:2:1:	3:3:	4:4:3:	P-3:O-2:O-1:	B-3:C-3:	C-4:C-4:C-3:	C(PCC)(OB)(O)	O(BNN)(COP)	P(CC3)2(COO)	C(PCC)(OB)(O)	O(BNN)(COP)	P(CC3)2(COO)	118.1710	0.000	1	118.1710	0.000	1	118.1710	0.000	1	113.7470	39.144	2	115.7939	12.937	12	115.7939	12.937	12
930	893	945	0:SP2_SP2_SP3	C	O	P	3:2:1:	3:3:	4:4:3:	P-3:O-2:O-1:	C-3:P-3:	C-4:C-4:C-3:	C(PCC)(OP)(O)	O(COP)(PNN)	P(CC3)2(COO)	C(PCC)(OP)(O)	O(COP)(PNN)	P(CC3)2(COO)	109.3230	0.000	1	109.3230	0.000	1	109.3230	0.000	1	113.7470	39.144	2	115.7939	12.937	12	115.7939	12.937	12
930	893	945	0:SP2_SP2_SP3	C	O	P	3:2:2:	4:3:	4:4:3:	P-3:O-2:O-2:	B-4:C-3:	Si-4:Si-4:C-3:	C(PSi2)(OSi)(OB)	O(BC[6a]3)(COP)	P(SiC3)2(COO)	C(PSi2)(OSi)(OB)	O(BC[6a]3)(COP)	P(SiC3)2(COO)	120.0800	0.000	1	120.0800	0.000	1	120.0800	0.000	1	116.8274	16.583	5	115.7939	12.937	12	115.7939	12.937	12
930	893	945	0:SP2_SP2_SP3	C	O	P	3:2:2:	4:3:	4:4:3:	P-3:O-2:O-2:	Si-4:C-3:	Si-4:Si-4:C-3:	C(PSi2)(OSi)(OB)	O(SiC3)(COP)	P(SiC3)2(COO)	C(PSi2)(OSi)(OB)	O(SiC3)(COP)	P(SiC3)2(COO)	121.6960	0.000	1	121.6960	0.000	1	121.6960	0.000	1	116.8274	16.583	5	115.7939	12.937	12	115.7939	12.937	12
930	893	945	0:SP2_SP2_SP3	C	O	P	3:2:2:	4:3:	4:4:3:	P-3:O-2:P-2:	Si-4:C-3:	C-4:C-4:C-3:	C(PCC)(OSi)(PGe)	O(SiC[6a]3)(CPP)	P(CC3)2(COP)	C(PCC)(OSi)(PGe)	O(SiC[6a]3)(CPP)	P(CC3)2(COP)	114.1203	2.243	3	114.1203	5.033	3	114.1203	5.033	3	116.8274	16.583	5	115.7939	12.937	12	115.7939	12.937	12
930	893	945	0:SP2_SP2_SP3	C	O	P	3:2:3:	3:3:	3:3:3:	P-3:O-2:C-3:	B[5]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(PC[6a]2)(OB[5])(CCH)	O(B[5]O[5]2)(CCP)	P(C[6a]C[6a]2)2(CCO)	C(PC[6a]2)(OB[5])(CCH)	O(B[5]O[5]2)(CCP)	P(C[6a]C[6a]2)2(CCO)	117.9695	0.815	2	117.9695	0.665	2	117.9695	0.665	2	117.9695	0.665	2	115.7939	12.937	12	115.7939	12.937	12
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:1:	3:	O-2:H-1:H-1:	C-3:H-1:	C-3:	C(OH)(H)2	O(CHH)(H)	H(CHO)	C(OH)(H)2	O(CHH)(H)	H(CHO)	109.5232	5.467	30	109.5232	29.893	30	109.5232	29.893	30	113.0385	33.246	63	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:1:	3:	O-2:H-1:O-1:	C-3:H-1:	C-3:	C(OH)(H)(O)	O(CHO)(H)	H(COO)	C(OH)(H)(O)	O(CHO)(H)	H(COO)	116.2343	3.900	33	116.2343	15.206	33	116.2343	15.206	33	113.0385	33.246	63	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:3:	3:	O-2:C-1:H-1:	C[5]-3:C-3:	C-3:	C(OC[5])(C)(H)	O(C[5]C[5]2)(CCH)	H(CCO)	C(OC[5])(C)(H)	O(C[5]C[5]2)(CCH)	H(CCO)	114.3740	0.000	1	114.3740	0.000	1	114.3740	0.000	1	111.4364	72.192	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:3:	3:	O-2:H-1:H-1:	C-3:C-3:	C-3:	C(OC)(H)2	O(CCO)(CHH)	H(CHO)	C(OC)(H)2	O(CCO)(CHH)	H(CHO)	114.5410	4.088	4	114.5410	16.715	4	107.8680	45.352	20	111.4364	72.192	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:3:	3:	O-2:H-1:H-1:	C-3:C-3:	C-3:	C(OC)(H)2	O(CC[6,6]O)(CHH)	H(CHO)	C(OC)(H)2	O(CC[6,6]O)(CHH)	H(CHO)	104.2693	4.402	4	104.2693	19.377	4	107.8680	45.352	20	111.4364	72.192	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:3:	3:	O-2:H-1:H-1:	C-3:C-3:	C-3:	C(OC)(H)2	O(CC[6]O)(CHH)	H(CHO)	C(OC)(H)2	O(CC[6]O)(CHH)	H(CHO)	105.1021	7.504	6	105.1021	56.312	6	107.8680	45.352	20	111.4364	72.192	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:3:	3:	O-2:H-1:H-1:	C-3:C-3:	C-3:	C(OC)(H)2	O(CHH)2	H(CHO)	C(OC)(H)2	O(CHH)2	H(CHO)	108.5843	6.212	6	108.5843	38.589	6	107.8680	45.352	20	111.4364	72.192	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:3:	3:	O-2:H-1:H-1:	C[6]-3:C-3:	C-3:	C(OC[6])(H)2	O(C[6]C[6]2)(CHH)	H(CHO)	C(OC[6])(H)2	O(C[6]C[6]2)(CHH)	H(CHO)	112.6060	0.000	1	112.6060	0.000	1	112.6060	0.000	1	111.4364	72.192	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:3:	3:	O-2:H-1:H-1:	C[6a]-3:C-3:	C-3:	C(OC[6a])(H)2	O(C[6a]C[6a,6a]C[6a])(CHH)	H(CHO)	C(OC[6a])(H)2	O(C[6a]C[6a,6a]C[6a])(CHH)	H(CHO)	111.9693	6.118	4	111.9693	37.430	4	113.2954	87.142	30	111.4364	72.192	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:3:	3:	O-2:H-1:H-1:	C[6a]-3:C-3:	C-3:	C(OC[6a])(H)2	O(C[6a]C[6a]2)(CHH)	H(CHO)	C(OC[6a])(H)2	O(C[6a]C[6a]2)(CHH)	H(CHO)	113.4994	9.812	26	113.4994	96.269	26	113.2954	87.142	30	111.4364	72.192	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:3:	3:	O-2:H-1:O-1:	Ge[6]-3:C-3:	C-3:	C(OGe[6])(H)(O)	O(Ge[6]N[6]2)(CHO)	H(COO)	C(OGe[6])(H)(O)	O(Ge[6]N[6]2)(CHO)	H(COO)	115.9590	0.000	1	115.9590	0.000	1	115.9590	0.000	1	111.4364	72.192	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:3:	3:	O-2:H-1:O-1:	P[5]-3:C-3:	C-3:	C(OP[5])(H)(O)	O(P[5]C[5,6a]N[5])(CHO)	H(COO)	C(OP[5])(H)(O)	O(P[5]C[5,6a]N[5])(CHO)	H(COO)	118.4050	0.000	1	118.4050	0.000	1	118.4050	0.000	1	111.4364	72.192	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	3:4:	3:	O-2:Cl-1:H-1:	C-3:C-4:	C-3:	C(OC)(Cl)(H)	O(CClH)(CH3)	H(CClO)	C(OC)(Cl)(H)	O(CClH)(CH3)	H(CClO)	121.2860	0.000	1	121.2860	0.000	1	121.2860	0.000	1	121.2860	0.000	1	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	4:3:	3:	O-2:H-1:H-1:	C-4:C-3:	C-3:	C(OC)(H)2	O(CCCH)(CHH)	H(CHO)	C(OC)(H)2	O(CCCH)(CHH)	H(CHO)	116.1520	1.086	2	116.1520	1.180	2	112.1561	59.049	48	113.5816	50.022	95	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	4:3:	3:	O-2:H-1:H-1:	C-4:C-3:	C-3:	C(OC)(H)2	O(CCHH)(CHH)	H(CHO)	C(OC)(H)2	O(CCHH)(CHH)	H(CHO)	112.3454	8.204	40	112.3454	67.299	40	112.1561	59.049	48	113.5816	50.022	95	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	4:3:	3:	O-2:H-1:H-1:	C-4:C-3:	C-3:	C(OC)(H)2	O(CC[6a]CC)(CHH)	H(CHO)	C(OC)(H)2	O(CC[6a]CC)(CHH)	H(CHO)	104.9565	1.240	2	104.9565	1.537	2	112.1561	59.049	48	113.5816	50.022	95	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	4:3:	3:	O-2:H-1:H-1:	C-4:C-3:	C-3:	C(OC)(H)2	O(CH3)(CHH)	H(CHO)	C(OC)(H)2	O(CH3)(CHH)	H(CHO)	111.8645	1.878	4	111.8645	3.525	4	112.1561	59.049	48	113.5816	50.022	95	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	4:3:	3:	O-2:H-1:H-1:	C[5,5]-4:C-3:	C-3:	C(OC[5,5])(H)2	O(C[5,5]C[3,5]N[5,5]C[5])(CHH)	H(CHO)	C(OC[5,5])(H)2	O(C[5,5]C[3,5]N[5,5]C[5])(CHH)	H(CHO)	115.6115	5.737	2	115.6115	32.910	2	115.6115	32.910	2	113.5816	50.022	95	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	4:3:	3:	O-2:H-1:H-1:	C[5,6]-4:C-3:	C-3:	C(OC[5,6])(H)2	O(C[5,6]C[5,6,6]C[5,6]H)(CHH)	H(CHO)	C(OC[5,6])(H)2	O(C[5,6]C[5,6,6]C[5,6]H)(CHH)	H(CHO)	110.8160	0.038	2	110.8160	0.001	2	110.2283	1.145	4	113.5816	50.022	95	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	4:3:	3:	O-2:H-1:H-1:	C[5,6]-4:C-3:	C-3:	C(OC[5,6])(H)2	O(C[5,6]C[6,6a]C[5,6]2)(CHH)	H(CHO)	C(OC[5,6])(H)2	O(C[5,6]C[6,6a]C[5,6]2)(CHH)	H(CHO)	109.6405	1.432	2	109.6405	2.050	2	110.2283	1.145	4	113.5816	50.022	95	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	4:3:	3:	O-2:H-1:H-1:	P-4:C-3:	C-3:	C(OP)(H)2	O(PCOO)(CHH)	H(CHO)	C(OP)(H)2	O(PCOO)(CHH)	H(CHO)	96.1112	23.986	2	96.1112	575.337	2	96.1112	575.337	2	113.5816	50.022	95	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	4:3:	3:	O-2:H-1:O-1:	B-4:C-3:	C-3:	C(OB)(H)(O)	O(BC[6a]2H)(CHO)	H(COO)	C(OB)(H)(O)	O(BC[6a]2H)(CHO)	H(COO)	117.6680	0.000	1	117.6680	0.000	1	117.1138	2.744	5	113.5816	50.022	95	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	4:3:	3:	O-2:H-1:O-1:	B-4:C-3:	C-3:	C(OB)(H)(O)	O(BC[6a]3)(CHO)	H(COO)	C(OB)(H)(O)	O(BC[6a]3)(CHO)	H(COO)	114.4020	0.000	1	114.4020	0.000	1	117.1138	2.744	5	113.5816	50.022	95	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	4:3:	3:	O-2:H-1:O-1:	B-4:C-3:	C-3:	C(OB)(H)(O)	O(BO3)(CHO)	H(COO)	C(OB)(H)(O)	O(BO3)(CHO)	H(COO)	117.8330	0.939	3	117.8330	0.882	3	117.1138	2.744	5	113.5816	50.022	95	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	4:3:	3:	O-2:H-1:O-1:	B[5]-4:C-3:	C-3:	C(OB[5])(H)(O)	O(B[5]O[5]2O)(CHO)	H(COO)	C(OB[5])(H)(O)	O(B[5]O[5]2O)(CHO)	H(COO)	118.0125	0.363	2	118.0125	0.132	2	118.0125	0.132	2	113.5816	50.022	95	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	4:3:	3:	O-2:H-1:O-1:	B[6,6]-4:C-3:	C-3:	C(OB[6,6])(H)(O)	O(B[6,6]C[6,6]2O)(CHO)	H(COO)	C(OB[6,6])(H)(O)	O(B[6,6]C[6,6]2O)(CHO)	H(COO)	117.4340	0.602	2	117.4340	0.363	2	117.4340	0.363	2	113.5816	50.022	95	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	4:3:	3:	O-2:H-1:O-1:	B[6]-4:C-3:	C-3:	C(OB[6])(H)(O)	O(B[6]C[6,6a]2C[6a])(CHO)	H(COO)	C(OB[6])(H)(O)	O(B[6]C[6,6a]2C[6a])(CHO)	H(COO)	117.6370	0.000	1	117.6370	0.000	1	117.6370	0.000	1	113.5816	50.022	95	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	4:3:	3:	O-2:H-1:O-1:	C-4:C-3:	C-3:	C(OC)(H)(O)	O(CCCH)(CHO)	H(COO)	C(OC)(H)(O)	O(CCCH)(CHO)	H(COO)	117.2909	0.277	8	117.2909	0.077	8	116.6245	4.809	18	113.5816	50.022	95	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	4:3:	3:	O-2:H-1:O-1:	C-4:C-3:	C-3:	C(OC)(H)(O)	O(CCHH)(CHO)	H(COO)	C(OC)(H)(O)	O(CCHH)(CHO)	H(COO)	115.4412	3.701	6	115.4412	13.694	6	116.6245	4.809	18	113.5816	50.022	95	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	4:3:	3:	O-2:H-1:O-1:	C-4:C-3:	C-3:	C(OC)(H)(O)	O(CC[5]CH)(CHO)	H(COO)	C(OC)(H)(O)	O(CC[5]CH)(CHO)	H(COO)	117.0140	0.000	1	117.0140	0.000	1	116.6245	4.809	18	113.5816	50.022	95	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	4:3:	3:	O-2:H-1:O-1:	C-4:C-3:	C-3:	C(OC)(H)(O)	O(CC[6]HH)(CHO)	H(COO)	C(OC)(H)(O)	O(CC[6]HH)(CHO)	H(COO)	117.0560	0.000	1	117.0560	0.000	1	116.6245	4.809	18	113.5816	50.022	95	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	4:3:	3:	O-2:H-1:O-1:	C-4:C-3:	C-3:	C(OC)(H)(O)	O(CC[6a]CH)(CHO)	H(COO)	C(OC)(H)(O)	O(CC[6a]CH)(CHO)	H(COO)	117.1260	0.000	1	117.1260	0.000	1	116.6245	4.809	18	113.5816	50.022	95	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	4:3:	3:	O-2:H-1:O-1:	C-4:C-3:	C-3:	C(OC)(H)(O)	O(CC[6a]HH)(CHO)	H(COO)	C(OC)(H)(O)	O(CC[6a]HH)(CHO)	H(COO)	117.0710	0.000	1	117.0710	0.000	1	116.6245	4.809	18	113.5816	50.022	95	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	4:3:	3:	O-2:H-1:O-1:	C[5,6,6]-4:C-3:	C-3:	C(OC[5,6,6])(H)(O)	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(CHO)	H(COO)	C(OC[5,6,6])(H)(O)	O(C[5,6,6]C[5,6,6]C[5,6]C[6])(CHO)	H(COO)	117.2350	0.000	1	117.2350	0.000	1	117.2350	0.000	1	113.5816	50.022	95	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	4:3:	3:	O-2:H-1:O-1:	C[5]-4:C-3:	C-3:	C(OC[5])(H)(O)	O(C[5]C[5,6a]C[5]C)(CHO)	H(COO)	C(OC[5])(H)(O)	O(C[5]C[5,6a]C[5]C)(CHO)	H(COO)	117.0810	0.000	2	117.0810	0.000	2	117.0810	0.000	2	113.5816	50.022	95	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	4:3:	3:	O-2:H-1:O-1:	C[6]-4:C-3:	C-3:	C(OC[6])(H)(O)	O(C[6]C[5,6]C[6]H)(CHO)	H(COO)	C(OC[6])(H)(O)	O(C[6]C[5,6]C[6]H)(CHO)	H(COO)	116.6585	0.548	2	116.6585	0.300	2	114.7080	14.028	8	113.5816	50.022	95	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	4:3:	3:	O-2:H-1:O-1:	C[6]-4:C-3:	C-3:	C(OC[6])(H)(O)	O(C[6]C[6,6]C[6]H)(CHO)	H(COO)	C(OC[6])(H)(O)	O(C[6]C[6,6]C[6]H)(CHO)	H(COO)	117.0255	0.146	2	117.0255	0.021	2	114.7080	14.028	8	113.5816	50.022	95	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	4:3:	3:	O-2:H-1:O-1:	C[6]-4:C-3:	C-3:	C(OC[6])(H)(O)	O(C[6]C[6]2C)(CHO)	H(COO)	C(OC[6])(H)(O)	O(C[6]C[6]2C)(CHO)	H(COO)	116.1770	0.000	1	116.1770	0.000	1	114.7080	14.028	8	113.5816	50.022	95	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	4:3:	3:	O-2:H-1:O-1:	C[6]-4:C-3:	C-3:	C(OC[6])(H)(O)	O(C[6]C[6]2H)(CHO)	H(COO)	C(OC[6])(H)(O)	O(C[6]C[6]2H)(CHO)	H(COO)	111.3730	4.690	3	111.3730	22.000	3	114.7080	14.028	8	113.5816	50.022	95	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	5:3:	3:	O-2:H-1:O-1:	Nb[6]-5:C-3:	C-3:	C(ONb[6])(H)(O)	O(Nb[6]N[6]2NN)(CHO)	H(COO)	C(ONb[6])(H)(O)	O(Nb[6]N[6]2NN)(CHO)	H(COO)	115.8003	0.923	3	115.8003	0.853	3	115.8003	0.853	3	115.8003	0.853	3	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:1:1:	6:3:	3:	O-2:H-1:O-1:	In[5,5]-6:C-3:	C-3:	C(OIn[5,5])(H)(O)	O(In[5,5]O[5]4O)(CHO)	H(COO)	C(OIn[5,5])(H)(O)	O(In[5,5]O[5]4O)(CHO)	H(COO)	117.3085	0.921	2	117.3085	0.849	2	117.3085	0.849	2	117.3085	0.849	2	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:2:1:	3:3:	3:	O-2:O-2:H-1:	C[6a]-3:C-3:	C-3:	C(OC[6a])2(H)	O(C[6a]C[6a]2)(CHO)	H(COO)	C(OC[6a])2(H)	O(C[6a]C[6a]2)(CHO)	H(COO)	123.7045	0.062	4	123.7045	0.004	4	123.7045	0.004	4	123.7045	0.004	4	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:2:1:	4:3:	3:	N-2:O-2:H-1:	C-4:C-3:	C-3:	C(NC[5a])(OC)(H)	O(CCHH)(CHN)	H(CNO)	C(NC[5a])(OC)(H)	O(CCHH)(CHN)	H(CNO)	117.9330	0.206	2	117.9330	0.043	2	118.1554	0.077	5	119.7401	8.237	28	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:2:1:	4:3:	3:	N-2:O-2:H-1:	C-4:C-3:	C-3:	C(NC[6])(OC)(H)	O(CCHH)(CHN)	H(CNO)	C(NC[6])(OC)(H)	O(CCHH)(CHN)	H(CNO)	118.1795	0.088	2	118.1795	0.008	2	118.1554	0.077	5	119.7401	8.237	28	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:2:1:	4:3:	3:	N-2:O-2:H-1:	C-4:C-3:	C-3:	C(NC[6a])(OC)(H)	O(CCHH)(CHN)	H(CNO)	C(NC[6a])(OC)(H)	O(CCHH)(CHN)	H(CNO)	118.5520	0.000	1	118.5520	0.000	1	118.1554	0.077	5	119.7401	8.237	28	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:2:1:	4:3:	3:	O-2:C-2:H-1:	C[5]-4:C-3:	C-3:	C(OC[5])(CC)(H)	O(C[5]C[5,5]C[5]H)(CCH)	H(CCO)	C(OC[5])(CC)(H)	O(C[5]C[5,5]C[5]H)(CCH)	H(CCO)	116.6090	0.000	1	116.6090	0.000	1	116.6090	0.000	1	119.7401	8.237	28	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:2:1:	4:3:	3:	O-2:N-2:H-1:	Si[6]-4:C-3:	C-3:	C(OSi[6])(NN)(H)	O(Si[6]C[6]O[6]C)(CHN)	H(CNO)	C(OSi[6])(NN)(H)	O(Si[6]C[6]O[6]C)(CHN)	H(CNO)	117.6430	0.000	1	117.6430	0.000	1	117.6430	0.000	1	119.7401	8.237	28	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:2:1:	4:3:	3:	O-2:O-2:H-1:	B-4:C-3:	C-3:	C(OAl)(OB)(H)	O(BHHN)(CHO)	H(COO)	C(OAl)(OB)(H)	O(BHHN)(CHO)	H(COO)	119.7780	0.000	1	119.7780	0.000	1	118.9758	1.507	9	119.7401	8.237	28	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:2:1:	4:3:	3:	O-2:O-2:H-1:	B-4:C-3:	C-3:	C(OB)2(H)	O(BC[6a]3)(CHO)	H(COO)	C(OB)2(H)	O(BC[6a]3)(CHO)	H(COO)	119.8955	0.023	2	119.8955	0.001	2	118.9758	1.507	9	119.7401	8.237	28	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:2:1:	4:3:	3:	O-2:O-2:H-1:	B-4:C-3:	C-3:	C(OMg)(OB)(H)	O(BC[6a]3)(CHO)	H(COO)	C(OMg)(OB)(H)	O(BC[6a]3)(CHO)	H(COO)	116.3490	0.000	1	116.3490	0.000	1	118.9758	1.507	9	119.7401	8.237	28	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:2:1:	4:3:	3:	O-2:O-2:H-1:	B-4:C-3:	C-3:	C(ONi)(OB)(H)	O(BC[6a]3)(CHO)	H(COO)	C(ONi)(OB)(H)	O(BC[6a]3)(CHO)	H(COO)	118.0440	0.000	1	118.0440	0.000	1	118.9758	1.507	9	119.7401	8.237	28	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:2:1:	4:3:	3:	O-2:O-2:H-1:	B-4:C-3:	C-3:	C(OPd)(OB)(H)	O(BO3)(CHO)	H(COO)	C(OPd)(OB)(H)	O(BO3)(CHO)	H(COO)	118.3690	0.000	1	118.3690	0.000	1	118.9758	1.507	9	119.7401	8.237	28	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:2:1:	4:3:	3:	O-2:O-2:H-1:	B-4:C-3:	C-3:	C(ORe)(OB)(H)	O(BC[6a]3)(CHO)	H(COO)	C(ORe)(OB)(H)	O(BC[6a]3)(CHO)	H(COO)	119.9270	0.000	1	119.9270	0.000	1	118.9758	1.507	9	119.7401	8.237	28	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:2:1:	4:3:	3:	O-2:O-2:H-1:	B-4:C-3:	C-3:	C(OSi)(OB)(H)	O(BC[6a]3)(CHO)	H(COO)	C(OSi)(OB)(H)	O(BC[6a]3)(CHO)	H(COO)	118.7560	0.000	1	118.7560	0.000	1	118.9758	1.507	9	119.7401	8.237	28	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:2:1:	4:3:	3:	O-2:O-2:H-1:	B-4:C-3:	C-3:	C(OZr)(OB)(H)	O(BC[6a]2H)(CHO)	H(COO)	C(OZr)(OB)(H)	O(BC[6a]2H)(CHO)	H(COO)	119.7680	0.000	1	119.7680	0.000	1	118.9758	1.507	9	119.7401	8.237	28	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:2:1:	4:3:	3:	O-2:O-2:H-1:	B[6,6]-4:C-3:	C-3:	C(OB[6,6])2(H)	O(B[6,6]C[6,6]2O)(CHO)	H(COO)	C(OB[6,6])2(H)	O(B[6,6]C[6,6]2O)(CHO)	H(COO)	119.2945	0.128	2	119.2945	0.016	2	119.2945	0.016	2	119.7401	8.237	28	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:2:1:	4:3:	3:	O-2:O-2:H-1:	C-4:C-3:	C-3:	C(OC)2(H)	O(CC[5]HH)(CHO)	H(COO)	C(OC)2(H)	O(CC[5]HH)(CHO)	H(COO)	123.3960	0.000	1	123.3960	0.000	1	121.5160	22.945	6	119.7401	8.237	28	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:2:1:	4:3:	3:	O-2:O-2:H-1:	C-4:C-3:	C-3:	C(OC)2(H)	O(CH3)(CHO)	H(COO)	C(OC)2(H)	O(CH3)(CHO)	H(COO)	123.4020	0.000	1	123.4020	0.000	1	121.5160	22.945	6	119.7401	8.237	28	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:2:1:	4:3:	3:	O-2:O-2:H-1:	C-4:C-3:	C-3:	C(OC[4,6])(OC)(H)	O(CH3)(CHO)	H(COO)	C(OC[4,6])(OC)(H)	O(CH3)(CHO)	H(COO)	123.5330	0.905	2	123.5330	0.819	2	121.5160	22.945	6	119.7401	8.237	28	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:2:1:	4:3:	3:	O-2:O-2:H-1:	C-4:C-3:	C-3:	C(OC[5,6])(OC)(H)	O(CH3)(CHO)	H(COO)	C(OC[5,6])(OC)(H)	O(CH3)(CHO)	H(COO)	123.4580	0.000	1	123.4580	0.000	1	121.5160	22.945	6	119.7401	8.237	28	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:2:1:	4:3:	3:	O-2:O-2:H-1:	C-4:C-3:	C-3:	C(OMo)(OC)(H)	O(CCHH)(CHO)	H(COO)	C(OMo)(OC)(H)	O(CCHH)(CHO)	H(COO)	111.7740	0.000	1	111.7740	0.000	1	121.5160	22.945	6	119.7401	8.237	28	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:2:1:	4:3:	3:	O-2:O-2:H-1:	C[4,6]-4:C-3:	C-3:	C(OC[4,6])(OC)(H)	O(C[4,6]C[3,4,6]C[4,6]C[6])(CHO)	H(COO)	C(OC[4,6])(OC)(H)	O(C[4,6]C[3,4,6]C[4,6]C[6])(CHO)	H(COO)	123.5015	0.957	2	123.5015	0.915	2	123.5015	0.915	2	119.7401	8.237	28	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:2:1:	4:3:	3:	O-2:O-2:H-1:	C[5,6]-4:C-3:	C-3:	C(OC[5,6])(OC)(H)	O(C[5,6]C[5,6]2H)(CHO)	H(COO)	C(OC[5,6])(OC)(H)	O(C[5,6]C[5,6]2H)(CHO)	H(COO)	123.4560	0.000	1	123.4560	0.000	1	123.4560	0.000	1	119.7401	8.237	28	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:2:1:	4:3:	3:	O-2:O-2:H-1:	Si-4:C-3:	C-3:	C(OSi)(OB)(H)	O(SiC3)(CHO)	H(COO)	C(OSi)(OB)(H)	O(SiC3)(CHO)	H(COO)	118.7690	0.000	1	118.7690	0.000	1	118.7690	0.000	1	119.7401	8.237	28	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:2:1:	5:3:	3:	O-2:N-2:H-1:	Nb[6]-5:C-3:	C-3:	C(ONb[6])(NC)(H)	O(Nb[6]N[6]2NO)(CHN)	H(CNO)	C(ONb[6])(NC)(H)	O(Nb[6]N[6]2NO)(CHN)	H(CNO)	118.9050	0.000	1	118.9050	0.000	1	118.9050	0.000	1	118.9050	0.000	1	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:3:1:	3:3:	3:	O-2:C-3:H-1:	C[5a]-3:C-3:	C-3:	C(OC[5a])(CCH)(H)	O(C[5a]N[5a,6a]C[5a])(CCH)	H(CCO)	C(OC[5a])(CCH)(H)	O(C[5a]N[5a,6a]C[5a])(CCH)	H(CCO)	119.2520	0.000	1	119.2520	0.000	1	119.2520	0.000	1	117.1291	29.017	14	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:3:1:	3:3:	3:	O-2:C-3:H-1:	C[6]-3:C-3:	C-3:	C(OC[6])(CCH)(H)	O(C[6]C[6,6]N[6])(CCH)	H(CCO)	C(OC[6])(CCH)(H)	O(C[6]C[6,6]N[6])(CCH)	H(CCO)	115.5620	0.000	1	115.5620	0.000	1	115.7215	0.051	2	117.1291	29.017	14	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:3:1:	3:3:	3:	O-2:C-3:H-1:	C[6]-3:C-3:	C-3:	C(OC[6])(CCH)(H)	O(C[6]C[6,6a]C[5,6])(CCH)	H(CCO)	C(OC[6])(CCH)(H)	O(C[6]C[6,6a]C[5,6])(CCH)	H(CCO)	115.8810	0.000	1	115.8810	0.000	1	115.7215	0.051	2	117.1291	29.017	14	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:3:1:	3:3:	3:	O-2:C-3:H-1:	C[6a]-3:C-3:	C-3:	C(OC[6a])(CCC)(H)	O(C[6a]C[6a]2)(CCH)	H(CCO)	C(OC[6a])(CCC)(H)	O(C[6a]C[6a]2)(CCH)	H(CCO)	119.6830	0.000	1	119.6830	0.000	1	117.1920	36.866	11	117.1291	29.017	14	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:3:1:	3:3:	3:	O-2:C-3:H-1:	C[6a]-3:C-3:	C-3:	C(OC[6a])(CCC)(H)	O(C[6a]C[6a]O[6a])(CCH)	H(CCO)	C(OC[6a])(CCC)(H)	O(C[6a]C[6a]O[6a])(CCH)	H(CCO)	104.8010	0.000	1	104.8010	0.000	1	117.1920	36.866	11	117.1291	29.017	14	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:3:1:	3:3:	3:	O-2:C-3:H-1:	C[6a]-3:C-3:	C-3:	C(OC[6a])(CCH)(H)	O(C[6a]C[5,6a]C[6a])(CCH)	H(CCO)	C(OC[6a])(CCH)(H)	O(C[6a]C[5,6a]C[6a])(CCH)	H(CCO)	115.1660	0.000	1	115.1660	0.000	1	117.1920	36.866	11	117.1291	29.017	14	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:3:1:	3:3:	3:	O-2:C-3:H-1:	C[6a]-3:C-3:	C-3:	C(OC[6a])(CCH)(H)	O(C[6a]C[6a]2)(CCH)	H(CCO)	C(OC[6a])(CCH)(H)	O(C[6a]C[6a]2)(CCH)	H(CCO)	119.5200	0.526	3	119.5200	0.277	3	117.1920	36.866	11	117.1291	29.017	14	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:3:1:	3:3:	3:	O-2:C-3:H-1:	C[6a]-3:C-3:	C-3:	C(OC[6a])(CHH)(H)	O(C[6a]C[6a]2)(CCH)	H(CCO)	C(OC[6a])(CHH)(H)	O(C[6a]C[6a]2)(CCH)	H(CCO)	118.7760	0.000	1	118.7760	0.000	1	117.1920	36.866	11	117.1291	29.017	14	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:3:1:	3:3:	3:	O-2:C-3:H-1:	C[6a]-3:C-3:	C-3:	C(OC[6a])(COO)(H)	O(C[6a]C[6a]2)(CCH)	H(CCO)	C(OC[6a])(COO)(H)	O(C[6a]C[6a]2)(CCH)	H(CCO)	124.0120	1.963	2	124.0120	3.853	2	117.1920	36.866	11	117.1291	29.017	14	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:3:1:	3:3:	3:	O-2:C-3:H-1:	C[6a]-3:C-3:	C-3:	C(OC[6a])(CRhC)(H)	O(C[6a]C[6a]2)(CCH)	H(CCO)	C(OC[6a])(CRhC)(H)	O(C[6a]C[6a]2)(CCH)	H(CCO)	112.0510	5.979	2	112.0510	35.752	2	117.1920	36.866	11	117.1291	29.017	14	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:3:1:	4:3:	3:	O-2:C-3:H-1:	C[3x6]-4:C-3:	C-3:	C(OC[3x6])(CClC)(H)	O(C[3x6]C[6,6]3)(CCH)	H(CCO)	C(OC[3x6])(CClC)(H)	O(C[3x6]C[6,6]3)(CCH)	H(CCO)	119.0510	0.055	2	119.0510	0.003	2	119.0510	0.003	2	117.2313	2.723	17	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:3:1:	4:3:	3:	O-2:C-3:H-1:	C[5]-4:C-3:	C-3:	C(OC[5])(CCH)(H)	O(C[5]C[5]O[5]C)(CCH)	H(CCO)	C(OC[5])(CCH)(H)	O(C[5]C[5]O[5]C)(CCH)	H(CCO)	116.6719	1.390	11	116.6719	1.932	11	116.8469	2.124	12	117.2313	2.723	17	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:3:1:	4:3:	3:	O-2:C-3:H-1:	C[5]-4:C-3:	C-3:	C(OC[5])(CHH)(H)	O(C[5]C[5,6]C[5]H)(CCH)	H(CCO)	C(OC[5])(CHH)(H)	O(C[5]C[5,6]C[5]H)(CCH)	H(CCO)	118.7720	0.000	1	118.7720	0.000	1	116.8469	2.124	12	117.2313	2.723	17	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:3:1:	4:3:	3:	O-2:C-3:H-1:	C[6]-4:C-3:	C-3:	C(OC[6])(CHH)(H)	O(C[6]C[6]2H)(CCH)	H(CCO)	C(OC[6])(CHH)(H)	O(C[6]C[6]2H)(CCH)	H(CCO)	114.9420	0.000	1	114.9420	0.000	1	116.5080	4.905	2	117.2313	2.723	17	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:3:1:	4:3:	3:	O-2:C-3:H-1:	C[6]-4:C-3:	C-3:	C(OC[6])(CHH)(H)	O(C[6]C[6]O[6]H)(CCH)	H(CCO)	C(OC[6])(CHH)(H)	O(C[6]C[6]O[6]H)(CCH)	H(CCO)	118.0740	0.000	1	118.0740	0.000	1	116.5080	4.905	2	117.2313	2.723	17	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:3:1:	4:3:	3:	O-2:N-3:H-1:	B[3x6]-4:C-3:	C-3:	C(OB[3x6])(NCC)(H)	O(B[3x6]N[5a,6,6]3)(CHN)	H(CNO)	C(OB[3x6])(NCC)(H)	O(B[3x6]N[5a,6,6]3)(CHN)	H(CNO)	119.6510	0.000	1	119.6510	0.000	1	119.6510	0.000	1	117.2313	2.723	17	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:3:1:	6:3:	3:	O-2:N-3:H-1:	In[5,6]-6:C-3:	C-3:	C(OIn[5,6])(NCC)(H)	O(In[5,6]N[5,5,6]N[5,6]2Cl2)(CHN)	H(CNO)	C(OIn[5,6])(NCC)(H)	O(In[5,6]N[5,5,6]N[5,6]2Cl2)(CHN)	H(CNO)	118.3910	0.000	1	118.3910	0.000	1	118.3910	0.000	1	118.6567	0.061	3	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:3:1:	6:3:	3:	O-2:N-3:H-1:	In[5]-6:C-3:	C-3:	C(OIn[5])(NCC)(H)	O(In[5]N[5,6]2Cl3)(CHN)	H(CNO)	C(OIn[5])(NCC)(H)	O(In[5]N[5,6]2Cl3)(CHN)	H(CNO)	118.7895	0.125	2	118.7895	0.016	2	118.7895	0.016	2	118.6567	0.061	3	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:4:1:	3:3:	3:	O-2:C-4:H-1:	C[5a]-3:C-3:	C-3:	C(OC[5a])(CH3)(H)	O(C[5a]C[5a]N[5a])(CCH)	H(CCO)	C(OC[5a])(CH3)(H)	O(C[5a]C[5a]N[5a])(CCH)	H(CCO)	123.5045	0.515	2	123.5045	0.266	2	123.5045	0.266	2	122.0744	34.752	11	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:4:1:	3:3:	3:	O-2:C-4:H-1:	C[6a]-3:C-3:	C-3:	C(OC[6a])(CCHH)(H)	O(C[6a]C[6a]2)(CCH)	H(CCO)	C(OC[6a])(CCHH)(H)	O(C[6a]C[6a]2)(CCH)	H(CCO)	123.8628	2.153	4	123.8628	4.636	4	121.7566	42.781	9	122.0744	34.752	11	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:4:1:	3:3:	3:	O-2:C-4:H-1:	C[6a]-3:C-3:	C-3:	C(OC[6a])(CCHN)(H)	O(C[6a]C[6a]2)(CCH)	H(CCO)	C(OC[6a])(CCHN)(H)	O(C[6a]C[6a]2)(CCH)	H(CCO)	127.2140	0.000	1	127.2140	0.000	1	121.7566	42.781	9	122.0744	34.752	11	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:4:1:	3:3:	3:	O-2:C-4:H-1:	C[6a]-3:C-3:	C-3:	C(OC[6a])(CCHO)(H)	O(C[6a]C[6a,6a]C[6a])(CCH)	H(CCO)	C(OC[6a])(CCHO)(H)	O(C[6a]C[6a,6a]C[6a])(CCH)	H(CCO)	126.4590	0.000	1	126.4590	0.000	1	121.7566	42.781	9	122.0744	34.752	11	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:4:1:	3:3:	3:	O-2:C-4:H-1:	C[6a]-3:C-3:	C-3:	C(OC[6a])(CHHO)(H)	O(C[6a]C[6a]2)(CCH)	H(CCO)	C(OC[6a])(CHHO)(H)	O(C[6a]C[6a]2)(CCH)	H(CCO)	115.5617	8.473	3	115.5617	71.785	3	121.7566	42.781	9	122.0744	34.752	11	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:4:1:	4:3:	3:	O-2:C-4:H-1:	C[6]-4:C-3:	C-3:	C(OC[6])(CH3)(H)	O(C[6]C[6]O[6]H)(CCH)	H(CCO)	C(OC[6])(CH3)(H)	O(C[6]C[6]O[6]H)(CCH)	H(CCO)	105.1680	0.000	1	105.1680	0.000	1	105.1680	0.000	1	105.1680	0.000	1	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:4:1:	5:3:	3:	O-2:C-4:H-1:	C[3,3]-5:C-3:	C-3:	C(OC[3,3])(CHHN)(H)	O(C[3,3]C[3,3]C[3x3]H[3]H)(CCH)	H(CCO)	C(OC[3,3])(CHHN)(H)	O(C[3,3]C[3,3]C[3x3]H[3]H)(CCH)	H(CCO)	113.5880	0.000	1	113.5880	0.000	1	113.5880	0.000	1	114.4730	1.566	2	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	2:4:1:	5:3:	3:	O-2:C-4:H-1:	C[4]-5:C-3:	C-3:	C(OC[4])(CHHO)(H)	O(C[4]C[3,4]C[4]HH)(CCH)	H(CCO)	C(OC[4])(CHHO)(H)	O(C[4]C[3,4]C[4]HH)(CCH)	H(CCO)	115.3580	0.000	1	115.3580	0.000	1	115.3580	0.000	1	114.4730	1.566	2	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:1:	3:	C-3:O-2:H-1:	C-3:H-1:	C-3:	C(CBrC)(OH)(H)	O(CCH)(H)	H(CCO)	C(CBrC)(OH)(H)	O(CCH)(H)	H(CCO)	118.6200	1.588	2	118.6200	2.522	2	116.1690	8.199	5	117.0601	9.605	13	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:1:	3:	C-3:O-2:H-1:	C-3:H-1:	C-3:	C(CCN)(OH)(H)	O(CCH)(H)	H(CCO)	C(CCN)(OH)(H)	O(CCH)(H)	H(CCO)	114.1940	0.000	1	114.1940	0.000	1	116.1690	8.199	5	117.0601	9.605	13	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:1:	3:	C-3:O-2:H-1:	C-3:H-1:	C-3:	C(CC[6a]C)(OH)(H)	O(CCH)(H)	H(CCO)	C(CC[6a]C)(OH)(H)	O(CCH)(H)	H(CCO)	114.7055	3.174	2	114.7055	10.076	2	116.1690	8.199	5	117.0601	9.605	13	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:1:	3:	C[5]-3:O-2:H-1:	C-3:H-1:	C-3:	C(C[5]C[5,5]C[5])(OH)(H)	O(CC[5]H)(H)	H(CC[5]O)	C(C[5]C[5,5]C[5])(OH)(H)	O(CC[5]H)(H)	H(CC[5]O)	119.0710	1.273	2	119.0710	1.620	2	119.0710	1.620	2	117.0601	9.605	13	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:1:	3:	C[6]-3:O-2:H-1:	C-3:H-1:	C-3:	C(C[6]C[6,6]C[6])(OH)(H)	O(CC[6]H)(H)	H(CC[6]O)	C(C[6]C[6,6]C[6])(OH)(H)	O(CC[6]H)(H)	H(CC[6]O)	118.1005	0.173	2	118.1005	0.030	2	118.0447	0.024	3	117.0601	9.605	13	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:1:	3:	C[6]-3:O-2:H-1:	C-3:H-1:	C-3:	C(C[6]C[6]2)(OH)(H)	O(CC[6]H)(H)	H(CC[6]O)	C(C[6]C[6]2)(OH)(H)	O(CC[6]H)(H)	H(CC[6]O)	117.9330	0.000	1	117.9330	0.000	1	118.0447	0.024	3	117.0601	9.605	13	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:1:	3:	C[6a]-3:O-2:H-1:	C-3:H-1:	C-3:	C(C[6a]C[6a,6a]C[6a])(OH)(H)	O(CC[6a]H)(H)	H(CC[6a]O)	C(C[6a]C[6a,6a]C[6a])(OH)(H)	O(CC[6a]H)(H)	H(CC[6a]O)	109.7130	0.000	1	109.7130	0.000	1	109.7130	0.000	1	117.0601	9.605	13	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:1:	3:	N-3:O-2:H-1:	C-3:H-1:	C-3:	C(NCC)(OH)(H)	O(CHN)(H)	H(CNO)	C(NCC)(OH)(H)	O(CHN)(H)	H(CNO)	119.4735	0.445	2	119.4735	0.198	2	119.4735	0.198	2	117.0601	9.605	13	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:2:	3:	C-3:O-2:H-1:	C-3:N-2:	C-3:	C(CCH)(ON)(H)	O(CCH)(NC)	H(CCO)	C(CCH)(ON)(H)	O(CCH)(NC)	H(CCO)	118.1755	2.633	2	118.1755	6.930	2	118.1755	6.930	2	118.1755	6.930	2	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:3:	3:	C-3:O-2:H-1:	C-3:C-3:	C-3:	C(CCC)(OC)(H)	O(CCH)(CNO)	H(CCO)	C(CCC)(OC)(H)	O(CCH)(CNO)	H(CCO)	113.0190	0.000	1	113.0190	0.000	1	118.3391	17.246	28	117.6369	16.926	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:3:	3:	C-3:O-2:H-1:	C-3:C-3:	C-3:	C(CCC)(OC)(H)	O(CCH)2	H(CCO)	C(CCC)(OC)(H)	O(CCH)2	H(CCO)	120.4417	0.462	3	120.4417	0.214	3	118.3391	17.246	28	117.6369	16.926	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:3:	3:	C-3:O-2:H-1:	C-3:C-3:	C-3:	C(CCC)(OC)(H)	O(CC[6a]O)(CCH)	H(CCO)	C(CCC)(OC)(H)	O(CC[6a]O)(CCH)	H(CCO)	114.0300	0.000	1	114.0300	0.000	1	118.3391	17.246	28	117.6369	16.926	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:3:	3:	C-3:O-2:H-1:	C-3:C-3:	C-3:	C(CCH)(OC)(H)	O(CCH)(CCO)	H(CCO)	C(CCH)(OC)(H)	O(CCH)(CCO)	H(CCO)	120.1230	0.741	2	120.1230	0.549	2	118.3391	17.246	28	117.6369	16.926	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:3:	3:	C-3:O-2:H-1:	C-3:C-3:	C-3:	C(CCH)(OC)(H)	O(CCH)(CNO)	H(CCO)	C(CCH)(OC)(H)	O(CCH)(CNO)	H(CCO)	122.9670	0.000	1	122.9670	0.000	1	118.3391	17.246	28	117.6369	16.926	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:3:	3:	C-3:O-2:H-1:	C-3:C-3:	C-3:	C(CCH)(OC)(H)	O(CCH)2	H(CCO)	C(CCH)(OC)(H)	O(CCH)2	H(CCO)	120.1692	0.671	5	120.1692	0.450	5	118.3391	17.246	28	117.6369	16.926	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:3:	3:	C-3:O-2:H-1:	C-3:C-3:	C-3:	C(CCH)(OC)(H)	O(CC[5]H)(CCH)	H(CCO)	C(CCH)(OC)(H)	O(CC[5]H)(CCH)	H(CCO)	112.8550	3.120	7	112.8550	9.733	7	118.3391	17.246	28	117.6369	16.926	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:3:	3:	C-3:O-2:H-1:	C-3:C-3:	C-3:	C(CCH)(OC)(H)	O(CC[6a]O)(CCH)	H(CCO)	C(CCH)(OC)(H)	O(CC[6a]O)(CCH)	H(CCO)	120.1480	0.000	1	120.1480	0.000	1	118.3391	17.246	28	117.6369	16.926	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:3:	3:	C-3:O-2:H-1:	C-3:C-3:	C-3:	C(CC[6a]I)(OC)(H)	O(CC[6a]O)(CCH)	H(CCO)	C(CC[6a]I)(OC)(H)	O(CC[6a]O)(CCH)	H(CCO)	120.8340	0.000	1	120.8340	0.000	1	118.3391	17.246	28	117.6369	16.926	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:3:	3:	C-3:O-2:H-1:	C-3:C-3:	C-3:	C(CHH)(OC)(H)	O(CCH)(CCO)	H(CCO)	C(CHH)(OC)(H)	O(CCH)(CCO)	H(CCO)	122.0240	0.000	1	122.0240	0.000	1	118.3391	17.246	28	117.6369	16.926	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:3:	3:	C-3:O-2:H-1:	C-3:C-3:	C-3:	C(CHH)(OC)(H)	O(CC[6a]C)(CCH)	H(CCO)	C(CHH)(OC)(H)	O(CC[6a]C)(CCH)	H(CCO)	119.9420	0.281	2	119.9420	0.079	2	118.3391	17.246	28	117.6369	16.926	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:3:	3:	C-3:O-2:H-1:	C-3:C-3:	C-3:	C(CHH)(OC)(H)	O(CC[6a]O)(CCH)	H(CCO)	C(CHH)(OC)(H)	O(CC[6a]O)(CCH)	H(CCO)	124.1840	0.000	1	124.1840	0.000	1	118.3391	17.246	28	117.6369	16.926	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:3:	3:	C-3:O-2:H-1:	C-3:C-3:	C-3:	C(CHO)(OC)(H)	O(CCH)2	H(CCO)	C(CHO)(OC)(H)	O(CCH)2	H(CCO)	122.0010	0.000	2	122.0010	0.000	2	118.3391	17.246	28	117.6369	16.926	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:3:	3:	C-3:O-2:H-1:	C[6a]-3:C-3:	C-3:	C(CB[5]C)(OC[6a])(H)	O(C[6a]C[6a]2)(CCH)	H(CCO)	C(CB[5]C)(OC[6a])(H)	O(C[6a]C[6a]2)(CCH)	H(CCO)	118.6470	0.000	1	118.6470	0.000	1	117.3603	1.126	6	117.6369	16.926	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:3:	3:	C-3:O-2:H-1:	C[6a]-3:C-3:	C-3:	C(CC[6]H)(OC[6a])(H)	O(C[6a]C[6a]2)(CCH)	H(CCO)	C(CC[6]H)(OC[6a])(H)	O(C[6a]C[6a]2)(CCH)	H(CCO)	118.7480	0.000	1	118.7480	0.000	1	117.3603	1.126	6	117.6369	16.926	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:3:	3:	C-3:O-2:H-1:	C[6a]-3:C-3:	C-3:	C(CC[6a]C)(OC[6a])(H)	O(C[6a]C[6a]2)(CCH)	H(CCO)	C(CC[6a]C)(OC[6a])(H)	O(C[6a]C[6a]2)(CCH)	H(CCO)	116.6917	0.296	4	116.6917	0.087	4	117.3603	1.126	6	117.6369	16.926	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:3:	3:	C[4]-3:O-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[4]C[4]N[4])(OC[6a])(H)	O(C[6a]C[6a]2)(CC[4]H)	H(CC[4]O)	C(C[4]C[4]N[4])(OC[6a])(H)	O(C[6a]C[6a]2)(CC[4]H)	H(CC[4]O)	118.9075	0.077	2	118.9075	0.006	2	118.9075	0.006	2	117.6369	16.926	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:3:	3:	C[5]-3:O-2:H-1:	C-3:C-3:	C-3:	C(C[5]C[5]2)(OC)(H)	O(CC[5]H)(CCC)	H(CC[5]O)	C(C[5]C[5]2)(OC)(H)	O(CC[5]H)(CCC)	H(CC[5]O)	116.0750	0.000	1	116.0750	0.000	1	113.4322	9.798	8	117.6369	16.926	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:3:	3:	C[5]-3:O-2:H-1:	C-3:C-3:	C-3:	C(C[5]C[5]2)(OC)(H)	O(CC[5]H)(CCH)	H(CC[5]O)	C(C[5]C[5]2)(OC)(H)	O(CC[5]H)(CCH)	H(CC[5]O)	113.0547	3.178	7	113.0547	10.101	7	113.4322	9.798	8	117.6369	16.926	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:3:	3:	C[6]-3:O-2:H-1:	C-3:C-3:	C-3:	C(C[6]C[6,6]C[6])(OC)(H)	O(CC[6a]O)(CC[6]H)	H(CC[6]O)	C(C[6]C[6,6]C[6])(OC)(H)	O(CC[6a]O)(CC[6]H)	H(CC[6]O)	120.4135	0.453	2	120.4135	0.205	2	118.2257	14.463	3	117.6369	16.926	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:3:	3:	C[6]-3:O-2:H-1:	C-3:C-3:	C-3:	C(C[6]C[6]2)(OC)(H)	O(CC[6a]O)(CC[6]H)	H(CC[6]O)	C(C[6]C[6]2)(OC)(H)	O(CC[6a]O)(CC[6]H)	H(CC[6]O)	113.8500	0.000	1	113.8500	0.000	1	118.2257	14.463	3	117.6369	16.926	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:3:	3:	C[6]-3:O-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[6]C[6]2)(OC[6a])(H)	O(C[6a]C[6a]2)(CC[6]H)	H(CC[6]O)	C(C[6]C[6]2)(OC[6a])(H)	O(C[6a]C[6a]2)(CC[6]H)	H(CC[6]O)	118.8560	0.000	1	118.8560	0.000	1	118.8560	0.000	1	117.6369	16.926	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:3:	3:	C[6a]-3:O-2:H-1:	C-3:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(H)	O(CC[6a]H)(CN[6]O)	H(CC[6a]O)	C(C[6a]C[6a]2)(OC)(H)	O(CC[6a]H)(CN[6]O)	H(CC[6a]O)	109.7870	0.000	1	109.7870	0.000	1	109.7870	0.000	1	117.6369	16.926	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:3:	3:	C[6a]-3:O-2:H-1:	C[6a]-3:C-3:	C-3:	C(C[6a]C[6a,6a]2)(OC[6a])(H)	O(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]O)	C(C[6a]C[6a,6a]2)(OC[6a])(H)	O(C[6a]C[6a]2)(CC[6a]H)	H(CC[6a]O)	125.9030	0.000	1	125.9030	0.000	1	125.9030	0.000	1	117.6369	16.926	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:3:	3:	N-3:O-2:H-1:	C-3:C-3:	C-3:	C(NCC)(OC)(H)	O(CHN)2	H(CNO)	C(NCC)(OC)(H)	O(CHN)2	H(CNO)	121.0903	0.586	3	121.0903	0.344	3	121.0903	0.344	3	117.6369	16.926	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:3:	3:	N-3:O-2:H-1:	Ge-3:C-3:	C-3:	C(NC[6a]W)(OGe)(H)	O(GeCW)(CHN)	H(CNO)	C(NC[6a]W)(OGe)(H)	O(GeCW)(CHN)	H(CNO)	116.9720	0.000	1	116.9720	0.000	1	116.9720	0.000	1	117.6369	16.926	54	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:4:	3:	C[5a]-3:O-2:H-1:	C-3:B-4:	C-3:	C(C[5a]C[5a]N[5a])(OB)(H)	O(CC[5a]H)(BF3)	H(CC[5a]O)	C(C[5a]C[5a]N[5a])(OB)(H)	O(CC[5a]H)(BF3)	H(CC[5a]O)	118.6710	0.000	1	118.6710	0.000	1	118.6710	0.000	1	118.9566	16.916	9	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:4:	3:	C[6,6]-3:O-2:H-1:	C-3:C-4:	C-3:	C(C[6,6]C[3x6]C[6,6])(OC)(H)	O(CC[6,6]H)(CH3)	H(CC[6,6]O)	C(C[6,6]C[3x6]C[6,6])(OC)(H)	O(CC[6,6]H)(CH3)	H(CC[6,6]O)	116.5800	0.000	1	116.5800	0.000	1	116.5800	0.000	1	118.9566	16.916	9	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:4:	3:	C[6]-3:O-2:H-1:	C-3:C-4:	C-3:	C(C[6]C[5,6]2)(OC)(H)	O(CC[6]H)(CH3)	H(CC[6]O)	C(C[6]C[5,6]2)(OC)(H)	O(CC[6]H)(CH3)	H(CC[6]O)	114.7790	0.000	1	114.7790	0.000	1	117.7310	4.441	4	118.9566	16.916	9	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:4:	3:	C[6]-3:O-2:H-1:	C-3:C-4:	C-3:	C(C[6]C[5,6]C[6])(OC)(H)	O(CC[6]H)(CH3)	H(CC[6]O)	C(C[6]C[5,6]C[6])(OC)(H)	O(CC[6]H)(CH3)	H(CC[6]O)	119.4180	0.000	1	119.4180	0.000	1	117.7310	4.441	4	118.9566	16.916	9	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:4:	3:	C[6]-3:O-2:H-1:	C-3:C-4:	C-3:	C(C[6]C[6]2)(OC)(H)	O(CC[6]H)(CCHH)	H(CC[6]O)	C(C[6]C[6]2)(OC)(H)	O(CC[6]H)(CCHH)	H(CC[6]O)	119.0570	0.000	1	119.0570	0.000	1	117.7310	4.441	4	118.9566	16.916	9	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:4:	3:	C[6]-3:O-2:H-1:	C-3:C-4:	C-3:	C(C[6]C[6]2)(OC)(H)	O(CC[6]H)(CH3)	H(CC[6]O)	C(C[6]C[6]2)(OC)(H)	O(CC[6]H)(CH3)	H(CC[6]O)	117.6700	0.000	1	117.6700	0.000	1	117.7310	4.441	4	118.9566	16.916	9	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:4:	3:	C[6]-3:O-2:H-1:	C-3:S-4:	C-3:	C(C[6]C[6]2)(OS)(H)	O(CC[6]H)(SCOO)	H(CC[6]O)	C(C[6]C[6]2)(OS)(H)	O(CC[6]H)(SCOO)	H(CC[6]O)	113.6820	0.000	1	113.6820	0.000	1	113.6820	0.000	1	118.9566	16.916	9	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	3:4:	3:	N[5]-3:O-2:H-1:	C-3:C-4:	C-3:	C(N[5]C[5,6a]C[5])(OC)(H)	O(CN[5]H)(CH3)	H(CN[5]O)	C(N[5]C[5,6a]C[5])(OC)(H)	O(CN[5]H)(CH3)	H(CN[5]O)	125.3760	0.174	2	125.3760	0.030	2	125.3760	0.030	2	118.9566	16.916	9	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	C-3:O-2:H-1:	B-4:C-3:	C-3:	C(CCH)(OB)(H)	O(BC[6a]2C)(CCH)	H(CCO)	C(CCH)(OB)(H)	O(BC[6a]2C)(CCH)	H(CCO)	118.7550	0.000	1	118.7550	0.000	1	118.7550	0.000	1	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	C-3:O-2:H-1:	C-4:C-3:	C-3:	C(CCH)(OC)(H)	O(CC3)(CCH)	H(CCO)	C(CCH)(OC)(H)	O(CC3)(CCH)	H(CCO)	117.0720	0.000	1	117.0720	0.000	1	118.0765	7.679	30	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	C-3:O-2:H-1:	C-4:C-3:	C-3:	C(CCH)(OC)(H)	O(CCHH)(CCH)	H(CCO)	C(CCH)(OC)(H)	O(CCHH)(CCH)	H(CCO)	116.1130	0.000	1	116.1130	0.000	1	118.0765	7.679	30	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	C-3:O-2:H-1:	C-4:C-3:	C-3:	C(CCH)(OC)(H)	O(CCHN)(CCH)	H(CCO)	C(CCH)(OC)(H)	O(CCHN)(CCH)	H(CCO)	119.1450	0.000	1	119.1450	0.000	1	118.0765	7.679	30	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	C-3:O-2:H-1:	C-4:C-3:	C-3:	C(CCH)(OC)(H)	O(CC[6a]CH)(CCH)	H(CCO)	C(CCH)(OC)(H)	O(CC[6a]CH)(CCH)	H(CCO)	110.5080	0.000	1	110.5080	0.000	1	118.0765	7.679	30	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	C-3:O-2:H-1:	C-4:C-3:	C-3:	C(CCH)(OC)(H)	O(CC[6a]HN)(CCH)	H(CCO)	C(CCH)(OC)(H)	O(CC[6a]HN)(CCH)	H(CCO)	119.6590	0.000	1	119.6590	0.000	1	118.0765	7.679	30	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	C-3:O-2:H-1:	C-4:C-3:	C-3:	C(CCH)(OC)(H)	O(CC[6a]HO)(CCH)	H(CCO)	C(CCH)(OC)(H)	O(CC[6a]HO)(CCH)	H(CCO)	116.3745	0.360	4	116.3745	0.129	4	118.0765	7.679	30	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	C-3:O-2:H-1:	C-4:C-3:	C-3:	C(CCH)(OC)(H)	O(CH3)(CCH)	H(CCO)	C(CCH)(OC)(H)	O(CH3)(CCH)	H(CCO)	117.3767	1.668	3	117.3767	2.783	3	118.0765	7.679	30	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	C-3:O-2:H-1:	C-4:C-3:	C-3:	C(CCS)(OC)(H)	O(CCHH)(CCH)	H(CCO)	C(CCS)(OC)(H)	O(CCHH)(CCH)	H(CCO)	119.7560	0.000	1	119.7560	0.000	1	118.0765	7.679	30	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	C-3:O-2:H-1:	C-4:C-3:	C-3:	C(CCS)(OC)(H)	O(CH3)(CCH)	H(CCO)	C(CCS)(OC)(H)	O(CH3)(CCH)	H(CCO)	120.4110	0.000	1	120.4110	0.000	1	118.0765	7.679	30	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	C-3:O-2:H-1:	C-4:C-3:	C-3:	C(CC[3]H)(OC)(H)	O(CCHH)(CCH)	H(CCO)	C(CC[3]H)(OC)(H)	O(CCHH)(CCH)	H(CCO)	115.8760	0.000	1	115.8760	0.000	1	118.0765	7.679	30	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	C-3:O-2:H-1:	C-4:C-3:	C-3:	C(CC[6]C)(OC)(H)	O(CH3)(CCH)	H(CCO)	C(CC[6]C)(OC)(H)	O(CH3)(CCH)	H(CCO)	118.5410	0.789	2	118.5410	0.623	2	118.0765	7.679	30	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	C-3:O-2:H-1:	C-4:C-3:	C-3:	C(CC[6a]2)(OC)(H)	O(CCHH)(CCH)	H(CCO)	C(CC[6a]2)(OC)(H)	O(CCHH)(CCH)	H(CCO)	112.6020	0.000	1	112.6020	0.000	1	118.0765	7.679	30	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	C-3:O-2:H-1:	C-4:C-3:	C-3:	C(CC[6a]C)(OC)(H)	O(CH3)(CCH)	H(CCO)	C(CC[6a]C)(OC)(H)	O(CH3)(CCH)	H(CCO)	118.8436	0.502	5	118.8436	0.252	5	118.0765	7.679	30	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	C-3:O-2:H-1:	C-4:C-3:	C-3:	C(CC[6a]H)(OC)(H)	O(CH3)(CCH)	H(CCO)	C(CC[6a]H)(OC)(H)	O(CH3)(CCH)	H(CCO)	117.8710	0.000	1	117.8710	0.000	1	118.0765	7.679	30	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	C-3:O-2:H-1:	C-4:C-3:	C-3:	C(CClH)(OC)(H)	O(CC[6a]HH)(CCH)	H(CCO)	C(CClH)(OC)(H)	O(CC[6a]HH)(CCH)	H(CCO)	116.1740	0.000	1	116.1740	0.000	1	118.0765	7.679	30	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	C-3:O-2:H-1:	C-4:C-3:	C-3:	C(CHO)(OC)(H)	O(CCHH)(CCH)	H(CCO)	C(CHO)(OC)(H)	O(CCHH)(CCH)	H(CCO)	122.3003	2.157	4	122.3003	4.653	4	118.0765	7.679	30	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	C-3:O-2:H-1:	C-4:C-3:	C-3:	C(CHP)(OC)(H)	O(CC[6a]2H)(CCH)	H(CCO)	C(CHP)(OC)(H)	O(CC[6a]2H)(CCH)	H(CCO)	118.9780	0.000	1	118.9780	0.000	1	118.0765	7.679	30	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	C-3:O-2:H-1:	P-4:C-3:	C-3:	C(CCH)(OP)(H)	O(PCOW)(CCH)	H(CCO)	C(CCH)(OP)(H)	O(PCOW)(CCH)	H(CCO)	117.3935	1.387	2	117.3935	1.923	2	118.1580	2.715	3	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	C-3:O-2:H-1:	P-4:C-3:	C-3:	C(CC[6a]H)(OP)(H)	O(PNOO)(CCH)	H(CCO)	C(CC[6a]H)(OP)(H)	O(PNOO)(CCH)	H(CCO)	119.6870	0.000	1	119.6870	0.000	1	118.1580	2.715	3	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	C-3:O-2:H-1:	S-4:C-3:	C-3:	C(CC[6a]F)(OS)(H)	O(SC[6a]OO)(CCH)	H(CCO)	C(CC[6a]F)(OS)(H)	O(SC[6a]OO)(CCH)	H(CCO)	115.6250	0.000	1	115.6250	0.000	1	118.1810	13.066	2	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	C-3:O-2:H-1:	S-4:C-3:	C-3:	C(CHI)(OS)(H)	O(SCOO)(CCH)	H(CCO)	C(CHI)(OS)(H)	O(SCOO)(CCH)	H(CCO)	120.7370	0.000	1	120.7370	0.000	1	118.1810	13.066	2	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	C-3:O-2:H-1:	Si-4:C-3:	C-3:	C(CCC)(OSi)(H)	O(SiC[6a]2C)(CCH)	H(CCO)	C(CCC)(OSi)(H)	O(SiC[6a]2C)(CCH)	H(CCO)	118.8750	0.296	2	118.8750	0.087	2	117.6263	1.438	6	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	C-3:O-2:H-1:	Si-4:C-3:	C-3:	C(CHH)(OSi)(H)	O(SiC[5]2C)(CCH)	H(CCO)	C(CHH)(OSi)(H)	O(SiC[5]2C)(CCH)	H(CCO)	117.4110	0.000	1	117.4110	0.000	1	117.6263	1.438	6	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	C-3:O-2:H-1:	Si-4:C-3:	C-3:	C(CHH)(OSi)(H)	O(SiC[5]2O)(CCH)	H(CCO)	C(CHH)(OSi)(H)	O(SiC[5]2O)(CCH)	H(CCO)	116.8657	1.050	3	116.8657	1.102	3	117.6263	1.438	6	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	C[4]-3:O-2:H-1:	P-4:C-3:	C-3:	C(C[4]C[4]2)(OP)(H)	O(PC[6a]OO)(CC[4]H)	H(CC[4]O)	C(C[4]C[4]2)(OP)(H)	O(PC[6a]OO)(CC[4]H)	H(CC[4]O)	118.7355	0.523	2	118.7355	0.273	2	118.7355	0.273	2	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	C[5]-3:O-2:H-1:	C[5]-4:C-3:	C-3:	C(C[5]C[5,5]C[5])(OC[5])(H)	O(C[5]C[5]N[5]H)(CC[5]H)	H(CC[5]O)	C(C[5]C[5,5]C[5])(OC[5])(H)	O(C[5]C[5]N[5]H)(CC[5]H)	H(CC[5]O)	119.7710	0.000	1	119.7710	0.000	1	119.2155	0.969	6	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	C[5]-3:O-2:H-1:	C[5]-4:C-3:	C-3:	C(C[5]C[5,5]C[5])(OC[5])(H)	O(C[5]C[5]O[5]H)(CC[5]H)	H(CC[5]O)	C(C[5]C[5,5]C[5])(OC[5])(H)	O(C[5]C[5]O[5]H)(CC[5]H)	H(CC[5]O)	119.1044	1.057	5	119.1044	1.118	5	119.2155	0.969	6	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	C[5]-3:O-2:H-1:	S-4:C-3:	C-3:	C(C[5]C[5,6a]O[5])(OS)(H)	O(SC[6a]OO)(CC[5]H)	H(CC[5]O)	C(C[5]C[5,6a]O[5])(OS)(H)	O(SC[6a]OO)(CC[5]H)	H(CC[5]O)	121.4130	0.000	1	121.4130	0.000	1	121.4130	0.000	1	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	C[6a]-3:O-2:H-1:	B-4:C-3:	C-3:	C(C[6a]C[6a]2)(OB)(H)	O(BC[6a]2C)(CC[6a]H)	H(CC[6a]O)	C(C[6a]C[6a]2)(OB)(H)	O(BC[6a]2C)(CC[6a]H)	H(CC[6a]O)	120.2380	0.000	1	120.2380	0.000	1	119.5480	0.952	2	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	C[6a]-3:O-2:H-1:	B-4:C-3:	C-3:	C(C[6a]C[6a]2)(OB)(H)	O(BC[6a]3)(CC[6a]H)	H(CC[6a]O)	C(C[6a]C[6a]2)(OB)(H)	O(BC[6a]3)(CC[6a]H)	H(CC[6a]O)	118.8580	0.000	1	118.8580	0.000	1	119.5480	0.952	2	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	C[6a]-3:O-2:H-1:	C-4:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(H)	O(CC[6a]HH)(CC[6a]H)	H(CC[6a]O)	C(C[6a]C[6a]2)(OC)(H)	O(CC[6a]HH)(CC[6a]H)	H(CC[6a]O)	109.8760	0.000	1	109.8760	0.000	1	109.8760	0.000	1	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	C[6a]-3:O-2:H-1:	C[5]-4:C-3:	C-3:	C(C[6a]C[6a]2)(OC[5])(H)	O(C[5]C[5]2H)(CC[6a]H)	H(CC[6a]O)	C(C[6a]C[6a]2)(OC[5])(H)	O(C[5]C[5]2H)(CC[6a]H)	H(CC[6a]O)	125.7410	0.000	1	125.7410	0.000	1	125.7410	0.000	1	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	N-3:O-2:H-1:	B-4:C-3:	C-3:	C(NCC)(OB)(H)	O(BC[6a]3)(CHN)	H(CNO)	C(NCC)(OB)(H)	O(BC[6a]3)(CHN)	H(CNO)	118.6570	0.000	1	118.6570	0.000	1	118.6570	0.000	1	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	N-3:O-2:H-1:	C-4:C-3:	C-3:	C(NCC)(OC)(H)	O(CH3)(CHN)	H(CNO)	C(NCC)(OC)(H)	O(CH3)(CHN)	H(CNO)	119.4860	0.000	1	119.4860	0.000	1	119.4860	0.000	1	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	N-3:O-2:H-1:	Ge-4:C-3:	C-3:	C(NC[6a]Fe)(OGe)(H)	O(GeFeCH)(CHN)	H(CNO)	C(NC[6a]Fe)(OGe)(H)	O(GeFeCH)(CHN)	H(CNO)	116.8210	0.000	1	116.8210	0.000	1	116.8210	0.000	1	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	4:3:	3:	N-3:O-2:H-1:	Si-4:C-3:	C-3:	C(NC[6a]Ru)(OSi)(H)	O(SiRuCH)(CHN)	H(CNO)	C(NC[6a]Ru)(OSi)(H)	O(SiRuCH)(CHN)	H(CNO)	114.0340	0.000	1	114.0340	0.000	1	114.0340	0.000	1	118.2293	7.330	59	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	5:3:	3:	N-3:O-2:H-1:	In-5:C-3:	C-3:	C(NCC)(OIn)(H)	O(InCl3N)(CHN)	H(CNO)	C(NCC)(OIn)(H)	O(InCl3N)(CHN)	H(CNO)	118.0850	0.000	1	118.0850	0.000	1	118.0850	0.000	1	118.0850	0.000	1	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	3:2:1:	6:3:	3:	C-3:O-2:H-1:	In-6:C-3:	C-3:	C(CCC)(OIn)(H)	O(InCl5)(CCH)	H(CCO)	C(CCC)(OIn)(H)	O(InCl5)(CCH)	H(CCO)	118.2640	0.000	1	118.2640	0.000	1	118.2640	0.000	1	118.2640	0.000	1	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	4:2:1:	3:1:	3:	C-4:O-2:H-1:	C-3:H-1:	C-3:	C(CCHH)(OH)(H)	O(CCH)(H)	H(CCO)	C(CCHH)(OH)(H)	O(CCH)(H)	H(CCO)	116.3790	0.000	1	116.3790	0.000	1	122.3557	18.505	12	121.7139	22.279	15	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	4:2:1:	3:1:	3:	C-4:O-2:H-1:	C-3:H-1:	C-3:	C(CCHN)(OH)(H)	O(CCH)(H)	H(CCO)	C(CCHN)(OH)(H)	O(CCH)(H)	H(CCO)	124.1610	0.000	1	124.1610	0.000	1	122.3557	18.505	12	121.7139	22.279	15	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	4:2:1:	3:1:	3:	C-4:O-2:H-1:	C-3:H-1:	C-3:	C(CCHO)(OH)(H)	O(CCH)(H)	H(CCO)	C(CCHO)(OH)(H)	O(CCH)(H)	H(CCO)	124.9780	0.000	1	124.9780	0.000	1	122.3557	18.505	12	121.7139	22.279	15	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	4:2:1:	3:1:	3:	C-4:O-2:H-1:	C-3:H-1:	C-3:	C(CC[5]HH)(OH)(H)	O(CCH)(H)	H(CCO)	C(CC[5]HH)(OH)(H)	O(CCH)(H)	H(CCO)	124.4870	0.000	1	124.4870	0.000	1	122.3557	18.505	12	121.7139	22.279	15	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	4:2:1:	3:1:	3:	C-4:O-2:H-1:	C-3:H-1:	C-3:	C(CC[6a]CO)(OH)(H)	O(CCH)(H)	H(CCO)	C(CC[6a]CO)(OH)(H)	O(CCH)(H)	H(CCO)	122.8990	0.000	1	122.8990	0.000	1	122.3557	18.505	12	121.7139	22.279	15	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	4:2:1:	3:1:	3:	C-4:O-2:H-1:	C-3:H-1:	C-3:	C(CH3)(OH)(H)	O(CCH)(H)	H(CCO)	C(CH3)(OH)(H)	O(CCH)(H)	H(CCO)	122.2810	5.520	6	122.2810	30.473	6	122.3557	18.505	12	121.7139	22.279	15	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	4:2:1:	3:1:	3:	C-4:O-2:H-1:	C-3:H-1:	C-3:	C(CSiCO)(OH)(H)	O(CCH)(H)	H(CCO)	C(CSiCO)(OH)(H)	O(CCH)(H)	H(CCO)	121.6780	0.000	1	121.6780	0.000	1	122.3557	18.505	12	121.7139	22.279	15	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	4:2:1:	3:1:	3:	C[3]-4:O-2:H-1:	C-3:H-1:	C-3:	C(C[3]C[3]N[3]H)(OH)(H)	O(CC[3]H)(H)	H(CC[3]O)	C(C[3]C[3]N[3]H)(OH)(H)	O(CC[3]H)(H)	H(CC[3]O)	111.6950	0.000	1	111.6950	0.000	1	111.6950	0.000	1	121.7139	22.279	15	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	4:2:1:	3:1:	3:	C[5]-4:O-2:H-1:	C-3:H-1:	C-3:	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)	O(CC[5]H)(H)	H(CC[5]O)	C(C[5]C[5,6a]C[6a]C[5])(OH)(H)	O(CC[5]H)(H)	H(CC[5]O)	122.4530	0.000	1	122.4530	0.000	1	122.8725	0.352	2	121.7139	22.279	15	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	4:2:1:	3:1:	3:	C[5]-4:O-2:H-1:	C-3:H-1:	C-3:	C(C[5]C[5]O[5]H)(OH)(H)	O(CC[5]H)(H)	H(CC[5]O)	C(C[5]C[5]O[5]H)(OH)(H)	O(CC[5]H)(H)	H(CC[5]O)	123.2920	0.000	1	123.2920	0.000	1	122.8725	0.352	2	121.7139	22.279	15	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	4:2:1:	3:3:	3:	C-4:O-2:H-1:	C-3:C-3:	C-3:	C(CH3)(OC)(H)	O(CCH)(CCO)	H(CCO)	C(CH3)(OC)(H)	O(CCH)(CCO)	H(CCO)	128.0190	7.447	2	128.0190	55.462	2	123.8857	10.591	19	123.7167	10.605	20	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	4:2:1:	3:3:	3:	C-4:O-2:H-1:	C-3:C-3:	C-3:	C(CH3)(OC)(H)	O(CCH)2	H(CCO)	C(CH3)(OC)(H)	O(CCH)2	H(CCO)	123.3203	2.226	8	123.3203	4.953	8	123.8857	10.591	19	123.7167	10.605	20	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	4:2:1:	3:3:	3:	C-4:O-2:H-1:	C-3:C-3:	C-3:	C(CH3)(OC)(H)	O(CC[3,5]O)(CCH)	H(CCO)	C(CH3)(OC)(H)	O(CC[3,5]O)(CCH)	H(CCO)	126.6770	0.000	1	126.6770	0.000	1	123.8857	10.591	19	123.7167	10.605	20	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	4:2:1:	3:3:	3:	C-4:O-2:H-1:	C-3:C-3:	C-3:	C(CH3)(OC)(H)	O(CC[5]O)(CCH)	H(CCO)	C(CH3)(OC)(H)	O(CC[5]O)(CCH)	H(CCO)	126.7780	0.000	1	126.7780	0.000	1	123.8857	10.591	19	123.7167	10.605	20	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	4:2:1:	3:3:	3:	C-4:O-2:H-1:	C-3:C-3:	C-3:	C(CH3)(OC)(H)	O(CC[6a]O)(CCH)	H(CCO)	C(CH3)(OC)(H)	O(CC[6a]O)(CCH)	H(CCO)	124.0260	0.000	1	124.0260	0.000	1	123.8857	10.591	19	123.7167	10.605	20	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	4:2:1:	3:3:	3:	C-4:O-2:H-1:	C-3:C-3:	C-3:	C(CH3)(OC)(H)	O(CN[5]O)(CCH)	H(CCO)	C(CH3)(OC)(H)	O(CN[5]O)(CCH)	H(CCO)	121.1495	0.033	2	121.1495	0.001	2	123.8857	10.591	19	123.7167	10.605	20	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	4:2:1:	3:3:	3:	C-4:O-2:H-1:	C-3:C-3:	C-3:	C(CHHO)(OC)(H)	O(CCH)2	H(CCO)	C(CHHO)(OC)(H)	O(CCH)2	H(CCO)	122.8623	3.079	4	122.8623	9.478	4	123.8857	10.591	19	123.7167	10.605	20	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	4:2:1:	3:3:	3:	C[5]-4:O-2:H-1:	C-3:C-3:	C-3:	C(C[5]C[5,6a]2H)(OC)(H)	O(CC[5]H)(CNO)	H(CC[5]O)	C(C[5]C[5,6a]2H)(OC)(H)	O(CC[5]H)(CNO)	H(CC[5]O)	120.5050	0.000	1	120.5050	0.000	1	120.5050	0.000	1	123.7167	10.605	20	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	4:2:1:	4:3:	3:	C-4:O-2:H-1:	B-4:C-3:	C-3:	C(CCHH)(OB)(H)	O(BC[6a]3)(CCH)	H(CCO)	C(CCHH)(OB)(H)	O(BC[6a]3)(CCH)	H(CCO)	119.1880	0.000	1	119.1880	0.000	1	119.1880	0.000	1	121.2151	126.315	24	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	4:2:1:	4:3:	3:	C-4:O-2:H-1:	C-4:C-3:	C-3:	C(CC[6a]N[4]H)(OC)(H)	O(CH3)(CCH)	H(CCO)	C(CC[6a]N[4]H)(OC)(H)	O(CH3)(CCH)	H(CCO)	125.3000	0.000	1	125.3000	0.000	1	123.5357	23.012	20	121.2151	126.315	24	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	4:2:1:	4:3:	3:	C-4:O-2:H-1:	C-4:C-3:	C-3:	C(CH3)(OC)(H)	O(CCCH)(CCH)	H(CCO)	C(CH3)(OC)(H)	O(CCCH)(CCH)	H(CCO)	110.5410	0.000	1	110.5410	0.000	1	123.5357	23.012	20	121.2151	126.315	24	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	4:2:1:	4:3:	3:	C-4:O-2:H-1:	C-4:C-3:	C-3:	C(CH3)(OC)(H)	O(CCHH)(CCH)	H(CCO)	C(CH3)(OC)(H)	O(CCHH)(CCH)	H(CCO)	124.3699	2.206	7	124.3699	4.868	7	123.5357	23.012	20	121.2151	126.315	24	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	4:2:1:	4:3:	3:	C-4:O-2:H-1:	C-4:C-3:	C-3:	C(CHHN)(OC)(H)	O(CH3)(CCH)	H(CCO)	C(CHHN)(OC)(H)	O(CH3)(CCH)	H(CCO)	125.6995	0.384	2	125.6995	0.147	2	123.5357	23.012	20	121.2151	126.315	24	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	4:2:1:	4:3:	3:	C-4:O-2:H-1:	C-4:C-3:	C-3:	C(CHHO)(OC)(H)	O(CCHH)(CCH)	H(CCO)	C(CHHO)(OC)(H)	O(CCHH)(CCH)	H(CCO)	123.4629	5.592	8	123.4629	31.274	8	123.5357	23.012	20	121.2151	126.315	24	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	4:2:1:	4:3:	3:	C-4:O-2:H-1:	C-4:C-3:	C-3:	C(CN[5]HH)(OC)(H)	O(CH3)(CCH)	H(CCO)	C(CN[5]HH)(OC)(H)	O(CH3)(CCH)	H(CCO)	125.1820	0.000	1	125.1820	0.000	1	123.5357	23.012	20	121.2151	126.315	24	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	4:2:1:	4:3:	3:	C-4:O-2:H-1:	P-4:C-3:	C-3:	C(CF3)(OP)(H)	O(PRhNO)(CCH)	H(CCO)	C(CF3)(OP)(H)	O(PRhNO)(CCH)	H(CCO)	126.7220	0.000	1	126.7220	0.000	1	126.7220	0.000	1	121.2151	126.315	24	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	4:2:1:	4:3:	3:	C[3]-4:O-2:H-1:	C[6]-4:C-3:	C-3:	C(C[3]H[3]O[3]H)(OC[6])(H)	O(C[6]C[6]2H)(CC[3]H)	H(CC[3]O)	C(C[3]H[3]O[3]H)(OC[6])(H)	O(C[6]C[6]2H)(CC[3]H)	H(CC[3]O)	73.0175	0.000	1	73.0175	0.000	1	73.0175	0.000	1	121.2151	126.315	24	116.4323	46.105	497	116.4323	46.105	497
930	893	951	0:SP2_SP-NON_SP2	C	O	H	4:2:1:	4:3:	3:	C[5]-4:O-2:H-1:	B-4:C-3:	C-3:	C(C[5]C[5]2Fe)(OB)(H)	O(BC[6a]3)(CC[5]H)	H(CC[5]O)	C(C[5]C[5]2Fe)(OB)(H)	O(BC[6a]3)(CC[5]H)	H(CC[5]O)	119.5220	0.000	1	119.5220	0.000	1	119.5220	0.000	1	121.2151	126.315	24	116.4323	46.105	497	116.4323	46.105	497
930	893	956	0:SP2_SP2_SP2	C	O	N	2:2:3:	3:3:	4:3:1:	N-2:O-2:N-3:	C[6a]-3:C-3:	C-4:C-3:H-1:	C(NC[5a])(OC[6a])(NCH)	O(C[6a]C[6a]2)(CNN)	N(CCCH)(CNO)(H)	C(NC[5a])(OC[6a])(NCH)	O(C[6a]C[6a]2)(CNN)	N(CCCH)(CNO)(H)	111.5530	0.337	2	111.5530	0.113	2	111.5530	0.113	2	111.5530	0.113	2	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:3:	2:3:1:	O-2:N-3:O-1:	C[6a]-3:C-3:	N-2:C-3:H-1:	C(OC[6a])(NHN)(O)	O(C[6a]C[6a]2)(CNO)	N(NC[5])(COO)(H)	C(OC[6a])(NHN)(O)	O(C[6a]C[6a]2)(CNO)	N(NC[5])(COO)(H)	113.1730	0.000	1	113.1730	0.000	1	113.1730	0.000	1	113.1730	0.000	1	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:3:	4:3:1:	O-2:N-3:O-1:	C[6a]-3:C-3:	C-4:C-3:H-1:	C(OC[6a])(NCH)(O)	O(C[6a]C[5,6a]C[6a])(CNO)	N(CCHH)(COO)(H)	C(OC[6a])(NCH)(O)	O(C[6a]C[5,6a]C[6a])(CNO)	N(CCHH)(COO)(H)	109.7155	0.168	2	109.7155	0.028	2	110.0981	0.422	20	110.0118	0.557	21	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:3:	4:3:1:	O-2:N-3:O-1:	C[6a]-3:C-3:	C-4:C-3:H-1:	C(OC[6a])(NCH)(O)	O(C[6a]C[5,6a]C[6a])(CNO)	N(CH3)(COO)(H)	C(OC[6a])(NCH)(O)	O(C[6a]C[5,6a]C[6a])(CNO)	N(CH3)(COO)(H)	110.2507	0.729	3	110.2507	0.531	3	110.0981	0.422	20	110.0118	0.557	21	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:3:	4:3:1:	O-2:N-3:O-1:	C[6a]-3:C-3:	C-4:C-3:H-1:	C(OC[6a])(NCH)(O)	O(C[6a]C[6a]2)(CNO)	N(CCCH)(COO)(H)	C(OC[6a])(NCH)(O)	O(C[6a]C[6a]2)(CNO)	N(CCCH)(COO)(H)	108.9050	0.000	1	108.9050	0.000	1	110.0981	0.422	20	110.0118	0.557	21	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:3:	4:3:1:	O-2:N-3:O-1:	C[6a]-3:C-3:	C-4:C-3:H-1:	C(OC[6a])(NCH)(O)	O(C[6a]C[6a]2)(CNO)	N(CCHH)(COO)(H)	C(OC[6a])(NCH)(O)	O(C[6a]C[6a]2)(CNO)	N(CCHH)(COO)(H)	110.1043	0.670	9	110.1043	0.449	9	110.0981	0.422	20	110.0118	0.557	21	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:3:	4:3:1:	O-2:N-3:O-1:	C[6a]-3:C-3:	C-4:C-3:H-1:	C(OC[6a])(NCH)(O)	O(C[6a]C[6a]2)(CNO)	N(CC[6a]CH)(COO)(H)	C(OC[6a])(NCH)(O)	O(C[6a]C[6a]2)(CNO)	N(CC[6a]CH)(COO)(H)	110.2730	0.000	1	110.2730	0.000	1	110.0981	0.422	20	110.0118	0.557	21	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:3:	4:3:1:	O-2:N-3:O-1:	C[6a]-3:C-3:	C-4:C-3:H-1:	C(OC[6a])(NCH)(O)	O(C[6a]C[6a]2)(CNO)	N(CH3)(COO)(H)	C(OC[6a])(NCH)(O)	O(C[6a]C[6a]2)(CNO)	N(CH3)(COO)(H)	110.4155	0.607	4	110.4155	0.369	4	110.0981	0.422	20	110.0118	0.557	21	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:3:	4:3:1:	O-2:N-3:O-1:	N[5]-3:C-3:	C-4:C-3:H-1:	C(ON[5])(NCH)(O)	O(N[5]C[5]2)(CNO)	N(CCHH)(COO)(H)	C(ON[5])(NCH)(O)	O(N[5]C[5]2)(CNO)	N(CCHH)(COO)(H)	108.2850	0.000	1	108.2850	0.000	1	108.2850	0.000	1	110.0118	0.557	21	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:3:	4:4:3:	O-2:N-3:O-1:	C[6a]-3:C-3:	C-4:C-4:C-3:	C(OC[6a])(NCC)(O)	O(C[6a]C[6a]2)(CNO)	N(CCCH)2(COO)	C(OC[6a])(NCC)(O)	O(C[6a]C[6a]2)(CNO)	N(CCCH)2(COO)	111.8295	0.609	2	111.8295	0.371	2	110.8657	0.999	23	110.4194	0.870	47	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:3:	4:4:3:	O-2:N-3:O-1:	C[6a]-3:C-3:	C-4:C-4:C-3:	C(OC[6a])(NCC)(O)	O(C[6a]C[6a]2)(CNO)	N(CCHH)2(COO)	C(OC[6a])(NCC)(O)	O(C[6a]C[6a]2)(CNO)	N(CCHH)2(COO)	110.9301	0.965	8	110.9301	0.932	8	110.8657	0.999	23	110.4194	0.870	47	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:3:	4:4:3:	O-2:N-3:O-1:	C[6a]-3:C-3:	C-4:C-4:C-3:	C(OC[6a])(NCC)(O)	O(C[6a]C[6a]2)(CNO)	N(CC[6a]CC)(CH3)(COO)	C(OC[6a])(NCC)(O)	O(C[6a]C[6a]2)(CNO)	N(CC[6a]CC)(CH3)(COO)	110.9145	0.745	2	110.9145	0.554	2	110.8657	0.999	23	110.4194	0.870	47	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:3:	4:4:3:	O-2:N-3:O-1:	C[6a]-3:C-3:	C-4:C-4:C-3:	C(OC[6a])(NCC)(O)	O(C[6a]C[6a]2)(CNO)	N(CC[6a]HH)2(COO)	C(OC[6a])(NCC)(O)	O(C[6a]C[6a]2)(CNO)	N(CC[6a]HH)2(COO)	110.2420	0.000	1	110.2420	0.000	1	110.8657	0.999	23	110.4194	0.870	47	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:3:	4:4:3:	O-2:N-3:O-1:	C[6a]-3:C-3:	C-4:C-4:C-3:	C(OC[6a])(NCC)(O)	O(C[6a]C[6a]2)(CNO)	N(CH3)2(COO)	C(OC[6a])(NCC)(O)	O(C[6a]C[6a]2)(CNO)	N(CH3)2(COO)	110.5807	1.177	9	110.5807	1.386	9	110.8657	0.999	23	110.4194	0.870	47	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:3:	4:4:3:	O-2:N-3:O-1:	C[6a]-3:C-3:	C-4:C-4:C-3:	C(OC[6a])(NCC)(O)	O(C[6a]C[6a]N[6a])(CNO)	N(CH3)2(COO)	C(OC[6a])(NCC)(O)	O(C[6a]C[6a]N[6a])(CNO)	N(CH3)2(COO)	111.5130	0.000	1	111.5130	0.000	1	110.8657	0.999	23	110.4194	0.870	47	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:3:	4:4:3:	O-2:N-3:O-1:	N[6]-3:C-3:	C-4:C-4:C-3:	C(ON[6])(NCC)(O)	O(N[6]C[6]2)(CNO)	N(CH3)2(COO)	C(ON[6])(NCC)(O)	O(N[6]C[6]2)(CNO)	N(CH3)2(COO)	109.0710	0.000	1	109.0710	0.000	1	109.0710	0.000	1	110.4194	0.870	47	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:3:	4:4:3:	O-2:N-3:S-1:	C[6a]-3:C-3:	C-4:C-4:C-3:	C(OC[6a])(NCC)(S)	O(C[6a]C[6,6a]C[6a])(CNS)	N(CH3)2(COS)	C(OC[6a])(NCC)(S)	O(C[6a]C[6,6a]C[6a])(CNS)	N(CH3)2(COS)	109.8650	0.000	1	109.8650	0.000	1	110.0317	0.372	23	110.4194	0.870	47	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	3:3:	4:4:3:	O-2:N-3:S-1:	C[6a]-3:C-3:	C-4:C-4:C-3:	C(OC[6a])(NCC)(S)	O(C[6a]C[6a]2)(CNS)	N(CH3)2(COS)	C(OC[6a])(NCC)(S)	O(C[6a]C[6a]2)(CNS)	N(CH3)2(COS)	110.0393	0.623	22	110.0393	0.389	22	110.0317	0.372	23	110.4194	0.870	47	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	4:3:	3:3:1:	O-2:N-3:O-1:	C[3x6]-4:C-3:	N-3:C-3:H-1:	C(OC[3x6])(NHN)(O)	O(C[3x6]C[6,6]3)(CNO)	N(NC[5]C)(COO)(H)	C(OC[3x6])(NHN)(O)	O(C[3x6]C[6,6]3)(CNO)	N(NC[5]C)(COO)(H)	106.8090	0.000	1	106.8090	0.000	1	106.8090	0.000	1	107.9584	4.171	5	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	4:3:	3:3:1:	O-2:N-3:O-1:	C[6]-4:C-3:	C-3:C-3:H-1:	C(OC[6])(NCH)(O)	O(C[6]C[5,6,6]C[6]H)(CNO)	N(CCO)(COO)(H)	C(OC[6])(NCH)(O)	O(C[6]C[5,6,6]C[6]H)(CNO)	N(CCO)(COO)(H)	109.2140	0.000	1	109.2140	0.000	1	108.2458	5.011	4	107.9584	4.171	5	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	4:3:	3:3:1:	O-2:N-3:O-1:	C[6]-4:C-3:	C-3:C-3:H-1:	C(OC[6])(NCH)(O)	O(C[6]C[6]2H)(CNO)	N(CCC)(COO)(H)	C(OC[6])(NCH)(O)	O(C[6]C[6]2H)(CNO)	N(CCC)(COO)(H)	110.8640	0.000	1	110.8640	0.000	1	108.2458	5.011	4	107.9584	4.171	5	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	4:3:	3:3:1:	O-2:N-3:O-1:	C[6]-4:C-3:	C-3:C-3:H-1:	C(OC[6])(NCH)(O)	O(C[6]C[6]2H)(CNO)	N(COO)2(H)	C(OC[6])(NCH)(O)	O(C[6]C[6]2H)(CNO)	N(COO)2(H)	106.4525	0.899	2	106.4525	0.808	2	108.2458	5.011	4	107.9584	4.171	5	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	4:3:	4:3:1:	O-2:N-3:O-1:	C[5]-4:C-3:	C-4:C-3:H-1:	C(OC[5])(NCH)(O)	O(C[5]C[5,5]C[5]H)(CNO)	N(CCCH)(COO)(H)	C(OC[5])(NCH)(O)	O(C[5]C[5,5]C[5]H)(CNO)	N(CCCH)(COO)(H)	109.3115	0.779	2	109.3115	0.606	2	109.9086	0.647	5	110.4932	1.092	12	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	4:3:	4:3:1:	O-2:N-3:O-1:	C[5]-4:C-3:	C-4:C-3:H-1:	C(OC[5])(NCH)(O)	O(C[5]C[5]2H)(CNO)	N(CCHH)(COO)(H)	C(OC[5])(NCH)(O)	O(C[5]C[5]2H)(CNO)	N(CCHH)(COO)(H)	110.5055	0.746	2	110.5055	0.557	2	109.9086	0.647	5	110.4932	1.092	12	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	4:3:	4:3:1:	O-2:N-3:O-1:	C[5]-4:C-3:	C-4:C-3:H-1:	C(OC[5])(NCH)(O)	O(C[5]C[5]2H)(CNO)	N(CC[6a]CH)(COO)(H)	C(OC[5])(NCH)(O)	O(C[5]C[5]2H)(CNO)	N(CC[6a]CH)(COO)(H)	109.9090	0.000	1	109.9090	0.000	1	109.9086	0.647	5	110.4932	1.092	12	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	4:3:	4:3:1:	O-2:N-3:O-1:	C[6]-4:C-3:	C-4:C-3:H-1:	C(OC[6])(NCH)(O)	O(C[6]C[6,6a]C[6]C)(CNO)	N(CC[6a]CH)(COO)(H)	C(OC[6])(NCH)(O)	O(C[6]C[6,6a]C[6]C)(CNO)	N(CC[6a]CH)(COO)(H)	109.6440	0.000	1	109.6440	0.000	1	110.9107	1.082	7	110.4932	1.092	12	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	4:3:	4:3:1:	O-2:N-3:O-1:	C[6]-4:C-3:	C-4:C-3:H-1:	C(OC[6])(NCH)(O)	O(C[6]C[6]2H)(CNO)	N(CCHH)(COO)(H)	C(OC[6])(NCH)(O)	O(C[6]C[6]2H)(CNO)	N(CCHH)(COO)(H)	111.1218	0.961	6	111.1218	0.924	6	110.9107	1.082	7	110.4932	1.092	12	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	4:3:	4:3:3:	O-2:N-3:O-1:	C[3x6]-4:C-3:	C[5]-4:C-3:N-3:	C(OC[3x6])(NC[5]N)(O)	O(C[3x6]C[6,6]3)(CNO)	N(C[5]C[5,6a]C[6a]C[5])(COO)(NCH)	C(OC[3x6])(NC[5]N)(O)	O(C[3x6]C[6,6]3)(CNO)	N(C[5]C[5,6a]C[6a]C[5])(COO)(NCH)	111.2060	0.000	1	111.2060	0.000	1	111.2060	0.000	1	111.2060	0.000	1	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	4:3:	4:4:3:	O-2:N-3:H-1:	B[3x6]-4:C-3:	C-4:C-4:C-3:	C(OB[3x6])(NCC)(H)	O(B[3x6]N[5a,6,6]3)(CHN)	N(CH3)2(CHO)	C(OB[3x6])(NCC)(H)	O(B[3x6]N[5a,6,6]3)(CHN)	N(CH3)2(CHO)	120.7750	0.000	1	120.7750	0.000	1	120.7750	0.000	1	112.3875	8.482	11	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	4:3:	4:4:3:	O-2:N-3:O-1:	C[5,5,6]-4:C-3:	C-4:C-4:C-3:	C(OC[5,5,6])(NCC)(O)	O(C[5,5,6]C[3x5,6]C[5,6]C[5])(CNO)	N(CCHH)2(COO)	C(OC[5,5,6])(NCC)(O)	O(C[5,5,6]C[3x5,6]C[5,6]C[5])(CNO)	N(CCHH)2(COO)	110.7820	0.000	1	110.7820	0.000	1	110.7820	0.000	1	112.3875	8.482	11	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	4:3:	4:4:3:	O-2:N-3:O-1:	C[5,6]-4:C-3:	C-4:C-4:C-3:	C(OC[5,6])(NCC)(O)	O(C[5,6]C[5,5,6]C[5,6]C)(CNO)	N(CCHH)2(COO)	C(OC[5,6])(NCC)(O)	O(C[5,6]C[5,5,6]C[5,6]C)(CNO)	N(CCHH)2(COO)	111.1515	0.612	4	111.1515	0.375	4	111.1515	0.375	4	112.3875	8.482	11	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	4:3:	4:4:3:	O-2:N-3:O-1:	C[5]-4:C-3:	C-4:C-4:C-3:	C(OC[5])(NCC)(O)	O(C[5]C[5,6]C[3]C[5])(CNO)	N(CH3)2(COO)	C(OC[5])(NCC)(O)	O(C[5]C[5,6]C[3]C[5])(CNO)	N(CH3)2(COO)	110.9900	0.000	1	110.9900	0.000	1	110.9900	0.000	1	112.3875	8.482	11	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	4:3:	4:4:3:	O-2:N-3:O-1:	C[6]-4:C-3:	C-4:C-4:C-3:	C(OC[6])(NCC)(O)	O(C[6]C[6,6]C[6]H)(CNO)	N(CCHH)2(COO)	C(OC[6])(NCC)(O)	O(C[6]C[6,6]C[6]H)(CNO)	N(CCHH)2(COO)	111.5745	0.810	2	111.5745	0.656	2	112.2775	0.886	4	112.3875	8.482	11	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	4:3:	4:4:3:	O-2:N-3:O-1:	C[6]-4:C-3:	C-4:C-4:C-3:	C(OC[6])(NCC)(O)	O(C[6]C[6]2H)(CNO)	N(CH3)2(COO)	C(OC[6])(NCC)(O)	O(C[6]C[6]2H)(CNO)	N(CH3)2(COO)	112.9805	0.162	2	112.9805	0.026	2	112.2775	0.886	4	112.3875	8.482	11	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	5:3:	4:4:3:	O-2:N-3:O-1:	P[5,5]-5:C-3:	C-4:C-4:C-3:	C(OP[5,5])(NCC)(O)	O(P[5,5]N[5]2O[5]2)(CNO)	N(CCHH)2(COO)	C(OP[5,5])(NCC)(O)	O(P[5,5]N[5]2O[5]2)(CNO)	N(CCHH)2(COO)	110.1760	0.000	1	110.1760	0.000	1	110.2950	0.028	2	110.2950	0.028	2	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	5:3:	4:4:3:	O-2:N-3:O-1:	P[5,5]-5:C-3:	C-4:C-4:C-3:	C(OP[5,5])(NCC)(O)	O(P[5,5]N[5]2O[5]2)(CNO)	N(CC[6a]HH)(CCCH)(COO)	C(OP[5,5])(NCC)(O)	O(P[5,5]N[5]2O[5]2)(CNO)	N(CC[6a]HH)(CCCH)(COO)	110.4140	0.000	1	110.4140	0.000	1	110.2950	0.028	2	110.2950	0.028	2	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	6:3:	4:4:3:	O-2:N-3:H-1:	In[5,6]-6:C-3:	C-4:C-4:C-3:	C(OIn[5,6])(NCC)(H)	O(In[5,6]N[5,5,6]N[5,6]2Cl2)(CHN)	N(CH3)2(CHO)	C(OIn[5,6])(NCC)(H)	O(In[5,6]N[5,5,6]N[5,6]2Cl2)(CHN)	N(CH3)2(CHO)	123.1800	0.000	1	123.1800	0.000	1	123.1800	0.000	1	122.6870	0.192	3	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:1:	6:3:	4:4:3:	O-2:N-3:H-1:	In[5]-6:C-3:	C-4:C-4:C-3:	C(OIn[5])(NCC)(H)	O(In[5]N[5,6]2Cl3)(CHN)	N(CH3)2(CHO)	C(OIn[5])(NCC)(H)	O(In[5]N[5,6]2Cl3)(CHN)	N(CH3)2(CHO)	122.4405	0.142	2	122.4405	0.020	2	122.4405	0.020	2	122.6870	0.192	3	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:2:	3:3:	4:4:3:	O-2:N-3:N-2:	C[6a]-3:C-3:	C-4:C-4:C-3:	C(OC[6a])(NCC)(NTi)	O(C[6a]C[6a]2)(CNN)	N(CCCH)2(CNO)	C(OC[6a])(NCC)(NTi)	O(C[6a]C[6a]2)(CNN)	N(CCCH)2(CNO)	112.6400	0.000	1	112.6400	0.000	1	112.6400	0.000	1	112.9950	0.169	3	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:2:	3:3:	4:4:3:	O-2:N-3:S-2:	C[6a]-3:C-3:	C-4:C-4:C-3:	C(OC[6a])(NCC)(SPd)	O(C[6a]C[6a]2)(CNS)	N(CH3)2(COS)	C(OC[6a])(NCC)(SPd)	O(C[6a]C[6a]2)(CNS)	N(CH3)2(COS)	113.1725	0.387	2	113.1725	0.150	2	113.1725	0.150	2	112.9950	0.169	3	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:2:	4:3:	4:4:3:	O-2:N-3:O-2:	C[5,6]-4:C-3:	C-4:C-4:C-3:	C(OC[5,6])(NCC)(OSn)	O(C[5,6]C[5,5,6]C[5,6]C)(CNO)	N(CCHH)2(COO)	C(OC[5,6])(NCC)(OSn)	O(C[5,6]C[5,5,6]C[5,6]C)(CNO)	N(CCHH)2(COO)	114.0370	0.000	1	114.0370	0.000	1	114.0370	0.000	1	114.0370	0.000	1	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	2:3:3:	3:3:	4:4:3:	O-2:C-3:N-3:	C[6a]-3:C-3:	S-4:C-4:C-3:	C(OC[6a])(CCC)(NCS)	O(C[6a]C[6a]2)(CCN)	N(SCOO)(CH3)(CCO)	C(OC[6a])(CCC)(NCS)	O(C[6a]C[6a]2)(CCN)	N(SCOO)(CH3)(CCO)	113.5370	0.361	2	113.5370	0.130	2	113.5370	0.130	2	113.5370	0.130	2	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	2:3:	4:3:1:	N-3:O-2:O-1:	C-2:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC[6a])(CNO)	N(C[5]C[5]2C)(COO)(H)	C(NC[5]H)(OC)(O)	O(CC[6a])(CNO)	N(C[5]C[5]2C)(COO)(H)	111.8260	1.205	2	111.8260	1.452	2	111.8260	1.452	2	111.8260	1.452	2	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:1:	4:4:3:	N-3:O-2:H-1:	C-3:H-1:	C-4:C-4:C-3:	C(NCC)(OH)(H)	O(CHN)(H)	N(CH3)2(CHO)	C(NCC)(OH)(H)	O(CHN)(H)	N(CH3)2(CHO)	121.2150	1.192	2	121.2150	1.421	2	121.2150	1.421	2	116.0497	16.310	6	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:1:	4:4:3:	N-3:O-2:O-1:	C-3:H-1:	C-4:C-4:C-3:	C(NCC)(OH)(O)	O(CNO)(H)	N(CCHH)(CH3)(COO)	C(NCC)(OH)(O)	O(CNO)(H)	N(CCHH)(CH3)(COO)	113.4670	0.169	4	113.4670	0.029	4	113.4670	0.029	4	116.0497	16.310	6	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:2:	3:3:1:	N-3:O-2:O-1:	C-3:N-2:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(ON)(O)	O(CNO)(NC)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(ON)(O)	O(CNO)(NC)	N(C[6a]C[6a]2)(COO)(H)	107.9170	0.526	2	107.9170	0.277	2	107.9170	0.277	2	107.9170	0.277	2	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:2:	4:3:1:	N-3:O-2:O-1:	C-3:N-2:	C-4:C-3:H-1:	C(NCH)(ON)(O)	O(CNO)(NC)	N(CH3)(COO)(H)	C(NCH)(ON)(O)	O(CNO)(NC)	N(CH3)(COO)(H)	117.9147	0.212	3	117.9147	0.045	3	117.9147	0.045	3	117.9147	0.045	3	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:3:	3:3:1:	N-3:O-2:O-1:	C-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC)(O)	O(CCH)(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC)(O)	O(CCH)(CNO)	N(C[6a]C[6a]2)(COO)(H)	110.3850	0.000	1	110.3850	0.000	1	110.3850	0.000	1	108.4192	0.976	42	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:3:	3:3:1:	N-3:O-2:O-1:	C[6a]-3:C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(OC[6a])(O)	O(C[6a]C[6a]2)(CNO)	N(C[5a]N[5a]S[5a])(COO)(H)	C(NC[5a]H)(OC[6a])(O)	O(C[6a]C[6a]2)(CNO)	N(C[5a]N[5a]S[5a])(COO)(H)	109.1330	0.000	1	109.1330	0.000	1	109.1330	0.000	1	108.4192	0.976	42	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:3:	3:3:1:	N-3:O-2:O-1:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC[6a])(O)	O(C[6a]C[6a,6a]C[6a])(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC[6a])(O)	O(C[6a]C[6a,6a]C[6a])(CNO)	N(C[6a]C[6a]2)(COO)(H)	108.0570	0.000	1	108.0570	0.000	1	108.3522	0.910	40	108.4192	0.976	42	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:3:	3:3:1:	N-3:O-2:O-1:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC[6a])(O)	O(C[6a]C[6a]2)(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC[6a])(O)	O(C[6a]C[6a]2)(CNO)	N(C[6a]C[6a]2)(COO)(H)	108.3868	0.994	36	108.3868	0.988	36	108.3522	0.910	40	108.4192	0.976	42	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:3:	3:3:1:	N-3:O-2:O-1:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC[6a])(O)	O(C[6a]C[6a]2)(CNO)	N(C[6a]C[6a]N[6a])(COO)(H)	C(NC[6a]H)(OC[6a])(O)	O(C[6a]C[6a]2)(CNO)	N(C[6a]C[6a]N[6a])(COO)(H)	108.0363	0.477	3	108.0363	0.228	3	108.3522	0.910	40	108.4192	0.976	42	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:3:	3:3:3:	N-3:O-2:S-1:	C[6a]-3:C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(OC[6a])(S)	O(C[6a]C[6a]2)(CNS)	N(C[6a]C[6a]2)2(COS)	C(NC[6a]2)(OC[6a])(S)	O(C[6a]C[6a]2)(CNS)	N(C[6a]C[6a]2)2(COS)	109.6160	0.717	4	109.6160	0.515	4	109.6160	0.515	4	109.6160	0.515	4	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:3:	3:4:3:	N-3:O-2:O-1:	C-3:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(OC)(O)	O(CC[6a]C)(CNO)	N(C[6a]C[6a]2)(CCCH)(COO)	C(NC[6a]C)(OC)(O)	O(CC[6a]C)(CNO)	N(C[6a]C[6a]2)(CCCH)(COO)	110.0130	0.000	1	110.0130	0.000	1	110.0130	0.000	1	109.8980	0.026	2	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:3:	3:4:3:	N-3:O-2:S-1:	C[6a]-3:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(OC[6a])(S)	O(C[6a]C[6a]2)(CNS)	N(C[6a]C[6a]2)(CH3)(COS)	C(NC[6a]C)(OC[6a])(S)	O(C[6a]C[6a]2)(CNS)	N(C[6a]C[6a]2)(CH3)(COS)	109.7830	0.000	1	109.7830	0.000	1	109.7830	0.000	1	109.8980	0.026	2	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:3:	4:3:1:	N-3:O-2:O-1:	C-3:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CCH)(CNO)	N(CC3)(COO)(H)	C(NCH)(OC)(O)	O(CCH)(CNO)	N(CC3)(COO)(H)	108.8310	0.000	1	108.8310	0.000	1	109.2545	0.359	2	109.6516	0.415	17	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:3:	4:3:1:	N-3:O-2:O-1:	C-3:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CCN)(CNO)	N(CCHH)(COO)(H)	C(NCH)(OC)(O)	O(CCN)(CNO)	N(CCHH)(COO)(H)	109.6780	0.000	1	109.6780	0.000	1	109.2545	0.359	2	109.6516	0.415	17	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:3:	4:3:1:	N-3:O-2:O-1:	C-3:N-3:	C-4:C-3:H-1:	C(NCH)(ON)(O)	O(CNO)(NCC)	N(CCHH)(COO)(H)	C(NCH)(ON)(O)	O(CNO)(NCC)	N(CCHH)(COO)(H)	108.3345	0.250	2	108.3345	0.062	2	108.3345	0.062	2	109.6516	0.415	17	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:3:	4:3:1:	N-3:O-2:O-1:	C[6a]-3:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC[6a])(O)	O(C[6a]C[6a]2)(CNO)	N(C[6]C[6]2H)(COO)(H)	C(NC[6]H)(OC[6a])(O)	O(C[6a]C[6a]2)(CNO)	N(C[6]C[6]2H)(COO)(H)	109.9153	0.356	13	109.9153	0.127	13	109.9153	0.127	13	109.6516	0.415	17	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:3:	4:4:3:	N-3:O-2:H-1:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(OC)(H)	O(CHN)2	N(CCCH)2(CHO)	C(NCC)(OC)(H)	O(CHN)2	N(CCCH)2(CHO)	118.5375	0.718	2	118.5375	0.515	2	118.5375	0.515	2	112.8727	8.397	11	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:3:	4:4:3:	N-3:O-2:O-1:	B-3:C-3:	C-4:C-4:C-3:	C(NCC)(OB)(O)	O(BC[6a]2)(CNO)	N(CCCH)2(COO)	C(NCC)(OB)(O)	O(BC[6a]2)(CNO)	N(CCCH)2(COO)	111.8490	0.000	2	111.8490	0.000	2	111.8490	0.000	2	112.8727	8.397	11	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:3:	4:4:3:	N-3:O-2:O-1:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CCC)(CNO)	N(CCCH)2(COO)	C(NCC)(OC)(O)	O(CCC)(CNO)	N(CCCH)2(COO)	111.4205	0.425	2	111.4205	0.181	2	111.5467	0.811	7	112.8727	8.397	11	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:3:	4:4:3:	N-3:O-2:O-1:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CCC)(CNO)	N(CCHH)2(COO)	C(NCC)(OC)(O)	O(CCC)(CNO)	N(CCHH)2(COO)	111.0595	0.807	2	111.0595	0.651	2	111.5467	0.811	7	112.8727	8.397	11	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	3:3:	4:4:3:	N-3:O-2:O-1:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CSiC)(CNO)	N(CCCH)2(COO)	C(NCC)(OC)(O)	O(CSiC)(CNO)	N(CCCH)2(COO)	111.9557	1.230	3	111.9557	1.514	3	111.5467	0.811	7	112.8727	8.397	11	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	2:3:1:	N-3:O-2:O-1:	C-4:C-3:	N-2:C-3:H-1:	C(NHN)(OC)(O)	O(CC3)(CNO)	N(NC[6])(COO)(H)	C(NHN)(OC)(O)	O(CC3)(CNO)	N(NC[6])(COO)(H)	107.4160	0.000	1	107.4160	0.000	1	109.9623	6.967	3	109.9623	6.967	3	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	2:3:1:	N-3:O-2:O-1:	C-4:C-3:	N-2:C-3:H-1:	C(NHN)(OC)(O)	O(CC[6a]HH)(CNO)	N(NC[5])(COO)(H)	C(NHN)(OC)(O)	O(CC[6a]HH)(CNO)	N(NC[5])(COO)(H)	109.7850	0.000	1	109.7850	0.000	1	109.9623	6.967	3	109.9623	6.967	3	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	2:3:1:	N-3:O-2:O-1:	C-4:C-3:	N-2:C-3:H-1:	C(NHN)(OC)(O)	O(CH3)(CNO)	N(NC[6,6])(COO)(H)	C(NHN)(OC)(O)	O(CH3)(CNO)	N(NC[6,6])(COO)(H)	112.6860	0.000	1	112.6860	0.000	1	109.9623	6.967	3	109.9623	6.967	3	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	2:3:3:	N-3:O-2:O-1:	C-4:C-3:	S-2:C-3:N-3:	C(NNS)(OC)(O)	O(CCCH)(CNO)	N(SC[5])(COO)(NCH)	C(NNS)(OC)(O)	O(CCCH)(CNO)	N(SC[5])(COO)(NCH)	109.9460	0.000	1	109.9460	0.000	1	109.9460	0.000	1	109.9460	0.000	1	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:1:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:H-1:H-1:	C(NHH)(OC)(O)	O(CC3)(CNO)	N(COO)(H)2	C(NHH)(OC)(O)	O(CC3)(CNO)	N(COO)(H)2	110.4345	1.020	2	110.4345	1.041	2	111.1611	1.259	23	111.2695	1.364	25	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:1:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:H-1:H-1:	C(NHH)(OC)(O)	O(CCCH)(CNO)	N(COO)(H)2	C(NHH)(OC)(O)	O(CCCH)(CNO)	N(COO)(H)2	110.7322	0.975	5	110.7322	0.950	5	111.1611	1.259	23	111.2695	1.364	25	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:1:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:H-1:H-1:	C(NHH)(OC)(O)	O(CCHH)(CNO)	N(COO)(H)2	C(NHH)(OC)(O)	O(CCHH)(CNO)	N(COO)(H)2	111.5918	0.638	4	111.5918	0.407	4	111.1611	1.259	23	111.2695	1.364	25	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:1:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:H-1:H-1:	C(NHH)(OC)(O)	O(CC[5]HH)(CNO)	N(COO)(H)2	C(NHH)(OC)(O)	O(CC[5]HH)(CNO)	N(COO)(H)2	109.7457	0.667	3	109.7457	0.444	3	111.1611	1.259	23	111.2695	1.364	25	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:1:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:H-1:H-1:	C(NHH)(OC)(O)	O(CSiHH)(CNO)	N(COO)(H)2	C(NHH)(OC)(O)	O(CSiHH)(CNO)	N(COO)(H)2	111.8413	0.991	9	111.8413	0.982	9	111.1611	1.259	23	111.2695	1.364	25	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:1:1:	N-3:O-2:O-1:	Si-4:C-3:	C-3:H-1:H-1:	C(NHH)(OSi)(O)	O(SiC3)(CNO)	N(COO)(H)2	C(NHH)(OSi)(O)	O(SiC3)(CNO)	N(COO)(H)2	112.5160	1.291	2	112.5160	1.667	2	112.5160	1.667	2	111.2695	1.364	25	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:2:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:N-2:H-1:	C(NHN)(OC)(O)	O(CC3)(CNO)	N(COO)(NC)(H)	C(NHN)(OC)(O)	O(CC3)(CNO)	N(COO)(NC)(H)	109.2180	0.000	1	109.2180	0.000	1	109.7682	2.172	65	109.7195	2.598	69	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:2:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:N-2:H-1:	C(NHN)(OC)(O)	O(CCHH)(CNO)	N(COO)(NC)(H)	C(NHN)(OC)(O)	O(CCHH)(CNO)	N(COO)(NC)(H)	109.8420	1.840	24	109.8420	3.385	24	109.7682	2.172	65	109.7195	2.598	69	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:2:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:N-2:H-1:	C(NHN)(OC)(O)	O(CH3)(CNO)	N(COO)(NC)(H)	C(NHN)(OC)(O)	O(CH3)(CNO)	N(COO)(NC)(H)	109.7376	1.247	40	109.7376	1.556	40	109.7682	2.172	65	109.7195	2.598	69	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:2:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:O-2:H-1:	C(NHO)(OC)(O)	O(CC3)(CNO)	N(COO)(OC)(H)	C(NHO)(OC)(O)	O(CC3)(CNO)	N(COO)(OC)(H)	110.1095	4.933	2	110.1095	24.339	2	108.9285	11.678	4	109.7195	2.598	69	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:2:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:O-2:H-1:	C(NHO)(OC)(O)	O(CC3)(CNO)	N(COO)(OP)(H)	C(NHO)(OC)(O)	O(CC3)(CNO)	N(COO)(OP)(H)	106.1480	0.000	1	106.1480	0.000	1	108.9285	11.678	4	109.7195	2.598	69	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:2:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:O-2:H-1:	C(NHO)(OC)(O)	O(CC[5]HH)(CNO)	N(COO)(OC)(H)	C(NHO)(OC)(O)	O(CC[5]HH)(CNO)	N(COO)(OC)(H)	109.3470	0.000	1	109.3470	0.000	1	108.9285	11.678	4	109.7195	2.598	69	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CCC)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CCC)(COO)(H)	110.1150	0.000	1	110.1150	0.000	1	108.7559	1.508	94	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CCH)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CCH)(COO)(H)	107.8250	0.183	3	107.8250	0.034	3	108.7559	1.508	94	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CCO)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CCO)(COO)(H)	108.0280	0.000	1	108.0280	0.000	1	108.7559	1.508	94	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CNN)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CNN)(COO)(H)	108.0993	0.070	3	108.0993	0.005	3	108.7559	1.508	94	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CNS)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CNS)(COO)(H)	106.3497	1.428	3	106.3497	2.038	3	108.7559	1.508	94	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CN[5a]N)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CN[5a]N)(COO)(H)	107.1420	0.000	1	107.1420	0.000	1	108.7559	1.508	94	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CCHH)(CNO)	N(CCO)(COO)(H)	C(NCH)(OC)(O)	O(CCHH)(CNO)	N(CCO)(COO)(H)	107.6292	0.601	4	107.6292	0.361	4	108.7559	1.508	94	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CCHH)(CNO)	N(CC[6a]S)(COO)(H)	C(NCH)(OC)(O)	O(CCHH)(CNO)	N(CC[6a]S)(COO)(H)	109.2537	2.365	3	109.2537	5.594	3	108.7559	1.508	94	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CCHH)(CNO)	N(CNN)(COO)(H)	C(NCH)(OC)(O)	O(CCHH)(CNO)	N(CNN)(COO)(H)	109.0735	0.599	2	109.0735	0.359	2	108.7559	1.508	94	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CCHH)(CNO)	N(CNS)(COO)(H)	C(NCH)(OC)(O)	O(CCHH)(CNO)	N(CNS)(COO)(H)	108.8146	0.731	24	108.8146	0.535	24	108.7559	1.508	94	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CCHH)(CNO)	N(COO)(COS)(H)	C(NCH)(OC)(O)	O(CCHH)(CNO)	N(COO)(COS)(H)	108.3792	1.660	4	108.3792	2.755	4	108.7559	1.508	94	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CC[6]CH)(CNO)	N(COO)2(H)	C(NCH)(OC)(O)	O(CC[6]CH)(CNO)	N(COO)2(H)	106.3110	0.304	2	106.3110	0.092	2	108.7559	1.508	94	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CCC)(COO)(H)	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CCC)(COO)(H)	110.6803	0.183	3	110.6803	0.034	3	108.7559	1.508	94	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CCO)(COO)(H)	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CCO)(COO)(H)	111.2775	2.695	2	111.2775	7.262	2	108.7559	1.508	94	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CCP)(COO)(H)	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CCP)(COO)(H)	109.3610	0.000	1	109.3610	0.000	1	108.7559	1.508	94	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[5]C)(COO)(H)	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[5]C)(COO)(H)	109.0260	0.000	1	109.0260	0.000	1	108.7559	1.508	94	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CNN)(COO)(H)	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CNN)(COO)(H)	109.1010	0.000	1	109.1010	0.000	1	108.7559	1.508	94	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CH3)(CNO)	N(CCC)(COO)(H)	C(NCH)(OC)(O)	O(CH3)(CNO)	N(CCC)(COO)(H)	110.7190	0.000	1	110.7190	0.000	1	108.7559	1.508	94	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CH3)(CNO)	N(CCN)(COO)(H)	C(NCH)(OC)(O)	O(CH3)(CNO)	N(CCN)(COO)(H)	108.9820	0.000	1	108.9820	0.000	1	108.7559	1.508	94	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CH3)(CNO)	N(CC[6]O)(COO)(H)	C(NCH)(OC)(O)	O(CH3)(CNO)	N(CC[6]O)(COO)(H)	108.1870	0.000	1	108.1870	0.000	1	108.7559	1.508	94	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CH3)(CNO)	N(CC[6a]C)(COO)(H)	C(NCH)(OC)(O)	O(CH3)(CNO)	N(CC[6a]C)(COO)(H)	109.2245	0.972	2	109.2245	0.945	2	108.7559	1.508	94	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CH3)(CNO)	N(CNN)(COO)(H)	C(NCH)(OC)(O)	O(CH3)(CNO)	N(CNN)(COO)(H)	108.3390	0.563	7	108.3390	0.317	7	108.7559	1.508	94	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CH3)(CNO)	N(CNS)(COO)(H)	C(NCH)(OC)(O)	O(CH3)(CNO)	N(CNS)(COO)(H)	109.1323	0.803	23	109.1323	0.646	23	108.7559	1.508	94	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:N-3:H-1:	C(NHN)(OC)(O)	O(CC3)(CNO)	N(COO)(NCC)(H)	C(NHN)(OC)(O)	O(CC3)(CNO)	N(COO)(NCC)(H)	108.5665	1.435	14	108.5665	2.059	14	108.4170	3.526	49	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:N-3:H-1:	C(NHN)(OC)(O)	O(CC3)(CNO)	N(COO)(NCH)(H)	C(NHN)(OC)(O)	O(CC3)(CNO)	N(COO)(NCH)(H)	110.8310	0.000	1	110.8310	0.000	1	108.4170	3.526	49	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:N-3:H-1:	C(NHN)(OC)(O)	O(CCCH)(CNO)	N(COO)(NCC)(H)	C(NHN)(OC)(O)	O(CCCH)(CNO)	N(COO)(NCC)(H)	109.0010	0.000	1	109.0010	0.000	1	108.4170	3.526	49	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:N-3:H-1:	C(NHN)(OC)(O)	O(CCCH)(CNO)	N(COO)(NCH)(H)	C(NHN)(OC)(O)	O(CCCH)(CNO)	N(COO)(NCH)(H)	109.3708	0.585	4	109.3708	0.342	4	108.4170	3.526	49	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:N-3:H-1:	C(NHN)(OC)(O)	O(CCCH)(CNO)	N(COO)(NCS)(H)	C(NHN)(OC)(O)	O(CCCH)(CNO)	N(COO)(NCS)(H)	109.2490	1.686	2	109.2490	2.842	2	108.4170	3.526	49	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:N-3:H-1:	C(NHN)(OC)(O)	O(CCHH)(CNO)	N(COO)(NCC)(H)	C(NHN)(OC)(O)	O(CCHH)(CNO)	N(COO)(NCC)(H)	110.6350	3.008	2	110.6350	9.048	2	108.4170	3.526	49	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:N-3:H-1:	C(NHN)(OC)(O)	O(CCHH)(CNO)	N(COO)(NCH)(H)	C(NHN)(OC)(O)	O(CCHH)(CNO)	N(COO)(NCH)(H)	109.2795	0.566	2	109.2795	0.321	2	108.4170	3.526	49	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:N-3:H-1:	C(NHN)(OC)(O)	O(CCHH)(CNO)	N(COO)(NOO)(H)	C(NHN)(OC)(O)	O(CCHH)(CNO)	N(COO)(NOO)(H)	106.5411	0.727	7	106.5411	0.528	7	108.4170	3.526	49	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:N-3:H-1:	C(NHN)(OC)(O)	O(CC[6a]HH)(CNO)	N(COO)(NCC)(H)	C(NHN)(OC)(O)	O(CC[6a]HH)(CNO)	N(COO)(NCC)(H)	108.7110	1.529	2	108.7110	2.337	2	108.4170	3.526	49	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:N-3:H-1:	C(NHN)(OC)(O)	O(CC[6a]HH)(CNO)	N(COO)(NCH)(H)	C(NHN)(OC)(O)	O(CC[6a]HH)(CNO)	N(COO)(NCH)(H)	109.4040	0.313	2	109.4040	0.098	2	108.4170	3.526	49	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:N-3:H-1:	C(NHN)(OC)(O)	O(CH3)(CNO)	N(COO)(NCH)(H)	C(NHN)(OC)(O)	O(CH3)(CNO)	N(COO)(NCH)(H)	108.8620	0.000	1	108.8620	0.000	1	108.4170	3.526	49	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:N-3:H-1:	C(NHN)(OC)(O)	O(CH3)(CNO)	N(COO)(NHP)(H)	C(NHN)(OC)(O)	O(CH3)(CNO)	N(COO)(NHP)(H)	108.8225	0.363	4	108.8225	0.132	4	108.4170	3.526	49	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:N-3:H-1:	C(NHN)(OC)(O)	O(CH3)(CNO)	N(COO)(NOO)(H)	C(NHN)(OC)(O)	O(CH3)(CNO)	N(COO)(NOO)(H)	106.0058	0.640	4	106.0058	0.410	4	108.4170	3.526	49	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:N-3:H-1:	C(NHN)(OC)(O)	O(CSiHH)(CNO)	N(COO)(NOO)(H)	C(NHN)(OC)(O)	O(CSiHH)(CNO)	N(COO)(NOO)(H)	108.8897	4.881	3	108.8897	23.820	3	108.4170	3.526	49	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5]2)(COO)(H)	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5]2)(COO)(H)	107.3850	0.000	1	107.3850	0.000	1	108.5513	0.597	7	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]N[5]2)(COO)(H)	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]N[5]2)(COO)(H)	107.8360	0.000	1	107.8360	0.000	1	108.5513	0.597	7	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CH3)(CNO)	N(C[5]N[5]2)(COO)(H)	C(NC[5]H)(OC)(O)	O(CH3)(CNO)	N(C[5]N[5]2)(COO)(H)	108.9276	0.501	5	108.9276	0.251	5	108.5513	0.597	7	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(OC)(O)	O(CC3)(CNO)	N(C[5a]C[5a]2)(COO)(H)	C(NC[5a]H)(OC)(O)	O(CC3)(CNO)	N(C[5a]C[5a]2)(COO)(H)	108.1120	0.000	1	108.1120	0.000	1	109.4129	0.647	16	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(OC)(O)	O(CC3)(CNO)	N(C[5a]C[5a]O[5a])(COO)(H)	C(NC[5a]H)(OC)(O)	O(CC3)(CNO)	N(C[5a]C[5a]O[5a])(COO)(H)	108.3770	0.000	1	108.3770	0.000	1	109.4129	0.647	16	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(OC)(O)	O(CC3)(CNO)	N(C[5a]C[5a]S[5a])(COO)(H)	C(NC[5a]H)(OC)(O)	O(CC3)(CNO)	N(C[5a]C[5a]S[5a])(COO)(H)	109.5950	0.000	1	109.5950	0.000	1	109.4129	0.647	16	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(OC)(O)	O(CC3)(CNO)	N(C[5a]N[5a]S[5a])(COO)(H)	C(NC[5a]H)(OC)(O)	O(CC3)(CNO)	N(C[5a]N[5a]S[5a])(COO)(H)	109.6578	0.767	9	109.6578	0.589	9	109.4129	0.647	16	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(OC)(O)	O(CCHH)(CNO)	N(C[5a]C[5a]2)(COO)(H)	C(NC[5a]H)(OC)(O)	O(CCHH)(CNO)	N(C[5a]C[5a]2)(COO)(H)	109.8010	0.000	1	109.8010	0.000	1	109.4129	0.647	16	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(OC)(O)	O(CCHH)(CNO)	N(C[5a]C[5a]N[5a])(COO)(H)	C(NC[5a]H)(OC)(O)	O(CCHH)(CNO)	N(C[5a]C[5a]N[5a])(COO)(H)	109.7275	0.414	2	109.7275	0.171	2	109.4129	0.647	16	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(OC)(O)	O(CH3)(CNO)	N(C[5a]N[5a]2)(COO)(H)	C(NC[5a]H)(OC)(O)	O(CH3)(CNO)	N(C[5a]N[5a]2)(COO)(H)	108.3460	0.000	1	108.3460	0.000	1	109.4129	0.647	16	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CC3)(CNO)	N(C[6]C[6]2)(COO)(H)	C(NC[6]H)(OC)(O)	O(CC3)(CNO)	N(C[6]C[6]2)(COO)(H)	108.5938	1.887	4	108.5938	3.560	4	108.8039	1.224	19	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CC3)(CNO)	N(C[6]C[6]N[6])(COO)(H)	C(NC[6]H)(OC)(O)	O(CC3)(CNO)	N(C[6]C[6]N[6])(COO)(H)	108.8540	0.000	1	108.8540	0.000	1	108.8039	1.224	19	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CC3)(CNO)	N(C[6]N[6]S[6])(COO)(H)	C(NC[6]H)(OC)(O)	O(CC3)(CNO)	N(C[6]N[6]S[6])(COO)(H)	107.8840	0.054	2	107.8840	0.003	2	108.8039	1.224	19	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CCHH)(CNO)	N(C[6]C[6]2)(COO)(H)	C(NC[6]H)(OC)(O)	O(CCHH)(CNO)	N(C[6]C[6]2)(COO)(H)	109.0232	0.899	12	109.0232	0.809	12	108.8039	1.224	19	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a,6a]2)(COO)(H)	C(NC[6a]H)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a,6a]2)(COO)(H)	110.8652	1.293	9	110.8652	1.672	9	109.0693	1.547	223	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]2)(COO)(H)	108.4438	1.089	73	108.4438	1.186	73	109.0693	1.547	223	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]N[6a])(COO)(H)	C(NC[6a]H)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]N[6a])(COO)(H)	108.1600	3.577	4	108.1600	12.791	4	109.0693	1.547	223	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC)(O)	O(CCCH)(CNO)	N(C[6a]C[6a,6a]C[6a])(COO)(H)	C(NC[6a]H)(OC)(O)	O(CCCH)(CNO)	N(C[6a]C[6a,6a]C[6a])(COO)(H)	108.9915	1.568	2	108.9915	2.458	2	109.0693	1.547	223	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC)(O)	O(CCCH)(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC)(O)	O(CCCH)(CNO)	N(C[6a]C[6a]2)(COO)(H)	110.0414	1.587	8	110.0414	2.518	8	109.0693	1.547	223	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC)(O)	O(CCHH)(CNO)	N(C[6a]C[6a,6a]2)(COO)(H)	C(NC[6a]H)(OC)(O)	O(CCHH)(CNO)	N(C[6a]C[6a,6a]2)(COO)(H)	109.4945	0.938	2	109.4945	0.880	2	109.0693	1.547	223	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC)(O)	O(CCHH)(CNO)	N(C[6a]C[6a,6a]C[6a])(COO)(H)	C(NC[6a]H)(OC)(O)	O(CCHH)(CNO)	N(C[6a]C[6a,6a]C[6a])(COO)(H)	109.5340	1.560	2	109.5340	2.433	2	109.0693	1.547	223	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC)(O)	O(CCHH)(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC)(O)	O(CCHH)(CNO)	N(C[6a]C[6a]2)(COO)(H)	109.2495	0.834	61	109.2495	0.696	61	109.0693	1.547	223	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC)(O)	O(CC[3]HH)(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC)(O)	O(CC[3]HH)(CNO)	N(C[6a]C[6a]2)(COO)(H)	109.4878	1.149	4	109.4878	1.320	4	109.0693	1.547	223	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC)(O)	O(CC[3]HP)(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC)(O)	O(CC[3]HP)(CNO)	N(C[6a]C[6a]2)(COO)(H)	109.1100	0.000	1	109.1100	0.000	1	109.0693	1.547	223	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC)(O)	O(CC[4]HH)(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC)(O)	O(CC[4]HH)(CNO)	N(C[6a]C[6a]2)(COO)(H)	109.4433	0.746	3	109.4433	0.557	3	109.0693	1.547	223	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC)(O)	O(CC[5,6]HH)(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC)(O)	O(CC[5,6]HH)(CNO)	N(C[6a]C[6a]2)(COO)(H)	109.1670	0.000	1	109.1670	0.000	1	109.0693	1.547	223	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC)(O)	O(CC[5]CH)(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC)(O)	O(CC[5]CH)(CNO)	N(C[6a]C[6a]2)(COO)(H)	107.6980	0.000	1	107.6980	0.000	1	109.0693	1.547	223	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC)(O)	O(CC[5]HH)(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC)(O)	O(CC[5]HH)(CNO)	N(C[6a]C[6a]2)(COO)(H)	111.2310	0.000	1	111.2310	0.000	1	109.0693	1.547	223	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC)(O)	O(CC[5a]HH)(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC)(O)	O(CC[5a]HH)(CNO)	N(C[6a]C[6a]2)(COO)(H)	109.7710	0.791	6	109.7710	0.625	6	109.0693	1.547	223	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC)(O)	O(CC[6]HH)(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC)(O)	O(CC[6]HH)(CNO)	N(C[6a]C[6a]2)(COO)(H)	108.4730	1.280	2	108.4730	1.638	2	109.0693	1.547	223	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC)(O)	O(CC[6a]CC)(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC)(O)	O(CC[6a]CC)(CNO)	N(C[6a]C[6a]2)(COO)(H)	108.1170	0.245	2	108.1170	0.060	2	109.0693	1.547	223	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC)(O)	O(CC[6a]CH)(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC)(O)	O(CC[6a]CH)(CNO)	N(C[6a]C[6a]2)(COO)(H)	107.2460	0.000	1	107.2460	0.000	1	109.0693	1.547	223	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC)(O)	O(CC[6a]C[5]H)(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC)(O)	O(CC[6a]C[5]H)(CNO)	N(C[6a]C[6a]2)(COO)(H)	109.5208	0.598	4	109.5208	0.358	4	109.0693	1.547	223	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[6a]C[6a]2)(COO)(H)	108.8693	0.995	6	108.8693	0.991	6	109.0693	1.547	223	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[6a]C[6a]N[6a])(COO)(H)	C(NC[6a]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[6a]C[6a]N[6a])(COO)(H)	108.9045	0.955	8	108.9045	0.912	8	109.0693	1.547	223	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC)(O)	O(CH3)(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC)(O)	O(CH3)(CNO)	N(C[6a]C[6a]2)(COO)(H)	109.5438	1.086	22	109.5438	1.180	22	109.0693	1.547	223	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	N-3:C-3:H-1:	C(NHN)(OC)(O)	O(CC3)(CNO)	N(NC[3x4]C)(COO)(H)	C(NHN)(OC)(O)	O(CC3)(CNO)	N(NC[3x4]C)(COO)(H)	108.4560	0.000	1	108.4560	0.000	1	108.4495	0.698	28	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	N-3:C-3:H-1:	C(NHN)(OC)(O)	O(CC3)(CNO)	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	O(CC3)(CNO)	N(NC[5]C)(COO)(H)	107.6603	0.749	7	107.6603	0.561	7	108.4495	0.698	28	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	N-3:C-3:H-1:	C(NHN)(OC)(O)	O(CC3)(CNO)	N(NC[6]C)(COO)(H)	C(NHN)(OC)(O)	O(CC3)(CNO)	N(NC[6]C)(COO)(H)	107.5590	0.525	2	107.5590	0.275	2	108.4495	0.698	28	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	N-3:C-3:H-1:	C(NHN)(OC)(O)	O(CC3)(CNO)	N(NC[6]H)(COO)(H)	C(NHN)(OC)(O)	O(CC3)(CNO)	N(NC[6]H)(COO)(H)	108.8120	0.000	1	108.8120	0.000	1	108.4495	0.698	28	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	N-3:C-3:H-1:	C(NHN)(OC)(O)	O(CC3)(CNO)	N(NC[6a]H)(COO)(H)	C(NHN)(OC)(O)	O(CC3)(CNO)	N(NC[6a]H)(COO)(H)	109.1570	0.349	2	109.1570	0.122	2	108.4495	0.698	28	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	N-3:C-3:H-1:	C(NHN)(OC)(O)	O(CC3)(CNO)	N(NC[6a]P)(COO)(H)	C(NHN)(OC)(O)	O(CC3)(CNO)	N(NC[6a]P)(COO)(H)	108.0460	0.000	1	108.0460	0.000	1	108.4495	0.698	28	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	N-3:C-3:H-1:	C(NHN)(OC)(O)	O(CCCH)(CNO)	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	O(CCCH)(CNO)	N(NC[5]C)(COO)(H)	108.4508	0.349	5	108.4508	0.122	5	108.4495	0.698	28	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	N-3:C-3:H-1:	C(NHN)(OC)(O)	O(CCCH)(CNO)	N(NC[5a]C)(COO)(H)	C(NHN)(OC)(O)	O(CCCH)(CNO)	N(NC[5a]C)(COO)(H)	108.8500	0.000	1	108.8500	0.000	1	108.4495	0.698	28	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	N-3:C-3:H-1:	C(NHN)(OC)(O)	O(CCCH)(CNO)	N(NC[6]C)(COO)(H)	C(NHN)(OC)(O)	O(CCCH)(CNO)	N(NC[6]C)(COO)(H)	109.5860	0.000	1	109.5860	0.000	1	108.4495	0.698	28	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	N-3:C-3:H-1:	C(NHN)(OC)(O)	O(CCCH)(CNO)	N(NC[6a]C)(COO)(H)	C(NHN)(OC)(O)	O(CCCH)(CNO)	N(NC[6a]C)(COO)(H)	108.4820	0.000	2	108.4820	0.000	2	108.4495	0.698	28	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	N-3:C-3:H-1:	C(NHN)(OC)(O)	O(CCCH)(CNO)	N(NP[4]C)(COO)(H)	C(NHN)(OC)(O)	O(CCCH)(CNO)	N(NP[4]C)(COO)(H)	108.6600	0.000	1	108.6600	0.000	1	108.4495	0.698	28	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	N-3:C-3:H-1:	C(NHN)(OC)(O)	O(CCHH)(CNO)	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	O(CCHH)(CNO)	N(NC[5]C)(COO)(H)	108.8330	0.000	1	108.8330	0.000	1	108.4495	0.698	28	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	N-3:C-3:H-1:	C(NHN)(OC)(O)	O(CCHH)(CNO)	N(NC[6a]C)(COO)(H)	C(NHN)(OC)(O)	O(CCHH)(CNO)	N(NC[6a]C)(COO)(H)	108.8410	0.000	1	108.8410	0.000	1	108.4495	0.698	28	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	N-3:C-3:H-1:	C(NHN)(OC)(O)	O(CC[6a]HH)(CNO)	N(NC[6a]C)(COO)(H)	C(NHN)(OC)(O)	O(CC[6a]HH)(CNO)	N(NC[6a]C)(COO)(H)	110.0110	0.000	1	110.0110	0.000	1	108.4495	0.698	28	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	N-3:C-3:H-1:	C(NHN)(OC)(O)	O(CH3)(CNO)	N(NC[6a]H)(COO)(H)	C(NHN)(OC)(O)	O(CH3)(CNO)	N(NC[6a]H)(COO)(H)	110.2180	0.000	1	110.2180	0.000	1	108.4495	0.698	28	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	N[4]-3:C-3:H-1:	C(NN[4]H)(OC)(O)	O(CC3)(CNO)	N(N[4]C[4]2)(COO)(H)	C(NN[4]H)(OC)(O)	O(CC3)(CNO)	N(N[4]C[4]2)(COO)(H)	108.3028	0.557	5	108.3028	0.310	5	108.3028	0.310	5	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	N[5]-3:C-3:H-1:	C(NN[5]H)(OC)(O)	O(CC3)(CNO)	N(N[5]C[5]2)(COO)(H)	C(NN[5]H)(OC)(O)	O(CC3)(CNO)	N(N[5]C[5]2)(COO)(H)	107.3600	0.144	2	107.3600	0.021	2	107.3600	0.021	2	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	N[6]-3:C-3:H-1:	C(NN[6]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(N[6]C[6]2)(COO)(H)	C(NN[6]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(N[6]C[6]2)(COO)(H)	108.6980	0.000	1	108.6980	0.000	1	108.6980	0.000	1	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C[5,6]-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC[5,6])(O)	O(C[5,6]C[5,5,6]C[5,6,6]H)(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC[5,6])(O)	O(C[5,6]C[5,5,6]C[5,6,6]H)(CNO)	N(C[6a]C[6a]2)(COO)(H)	108.8530	0.000	1	108.8530	0.000	1	108.8530	0.000	1	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C[5]-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC[5])(O)	O(C[5]C[4,5]C[5]H)(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC[5])(O)	O(C[5]C[4,5]C[5]H)(CNO)	N(C[6a]C[6a]2)(COO)(H)	108.4460	0.000	1	108.4460	0.000	1	109.2530	0.874	10	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C[5]-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC[5])(O)	O(C[5]C[5,5,6]N[5]H)(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC[5])(O)	O(C[5]C[5,5,6]N[5]H)(CNO)	N(C[6a]C[6a]2)(COO)(H)	108.0575	0.462	2	108.0575	0.213	2	109.2530	0.874	10	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C[5]-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC[5])(O)	O(C[5]C[5,5]C[5]H)(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC[5])(O)	O(C[5]C[5,5]C[5]H)(CNO)	N(C[6a]C[6a]2)(COO)(H)	109.7670	0.000	1	109.7670	0.000	1	109.2530	0.874	10	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C[5]-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC[5])(O)	O(C[5]C[5,6]C[5]H)(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC[5])(O)	O(C[5]C[5,6]C[5]H)(CNO)	N(C[6a]C[6a]2)(COO)(H)	109.3460	1.305	2	109.3460	1.704	2	109.2530	0.874	10	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C[5]-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC[5])(O)	O(C[5]C[5]2H)(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC[5])(O)	O(C[5]C[5]2H)(CNO)	N(C[6a]C[6a]2)(COO)(H)	109.8775	0.447	4	109.8775	0.200	4	109.2530	0.874	10	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C[6]-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CNO)	N(C[6a]C[6a]2)(COO)(H)	108.6790	0.109	2	108.6790	0.012	2	108.7352	0.149	13	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C[6]-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC[6])(O)	O(C[6]C[6,6]C[6]C)(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC[6])(O)	O(C[6]C[6,6]C[6]C)(CNO)	N(C[6a]C[6a]2)(COO)(H)	108.3180	0.000	1	108.3180	0.000	1	108.7352	0.149	13	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C[6]-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC[6])(O)	O(C[6]C[6]2H)(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OC[6])(O)	O(C[6]C[6]2H)(CNO)	N(C[6a]C[6a]2)(COO)(H)	108.7881	0.418	10	108.7881	0.175	10	108.7352	0.149	13	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	Si-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OSi)(O)	O(SiC3)(CNO)	N(C[6a]C[6a]2)(COO)(H)	C(NC[6a]H)(OSi)(O)	O(SiC3)(CNO)	N(C[6a]C[6a]2)(COO)(H)	110.9640	0.000	1	110.9640	0.000	1	110.9640	0.000	1	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:S-1:	C-4:C-3:	C-3:C-3:H-1:	C(NCH)(OC)(S)	O(CCHH)(CNS)	N(CC[6a]O)(COS)(H)	C(NCH)(OC)(S)	O(CCHH)(CNS)	N(CC[6a]O)(COS)(H)	106.3653	0.321	3	106.3653	0.103	3	110.0487	9.523	10	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:S-1:	C-4:C-3:	C-3:C-3:H-1:	C(NCH)(OC)(S)	O(CCHH)(CNS)	N(COO)(COS)(H)	C(NCH)(OC)(S)	O(CCHH)(CNS)	N(COO)(COS)(H)	112.2660	0.000	1	112.2660	0.000	1	110.0487	9.523	10	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:S-1:	C-4:C-3:	C-3:C-3:H-1:	C(NCH)(OC)(S)	O(CC[6a]HH)(CNS)	N(COO)(COS)(H)	C(NCH)(OC)(S)	O(CC[6a]HH)(CNS)	N(COO)(COS)(H)	112.3640	0.000	1	112.3640	0.000	1	110.0487	9.523	10	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:S-1:	C-4:C-3:	C-3:C-3:H-1:	C(NCH)(OC)(S)	O(CH3)(CNS)	N(CC[6a]O)(COS)(H)	C(NCH)(OC)(S)	O(CH3)(CNS)	N(CC[6a]O)(COS)(H)	111.3522	2.551	5	111.3522	6.507	5	110.0487	9.523	10	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:S-1:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC)(S)	O(CCCH)(CNS)	N(C[6a]C[6a]2)(COS)(H)	C(NC[6a]H)(OC)(S)	O(CCCH)(CNS)	N(C[6a]C[6a]2)(COS)(H)	112.9082	0.630	5	112.9082	0.397	5	112.5301	2.007	30	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:S-1:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC)(S)	O(CCHH)(CNS)	N(C[6a]C[6a]2)(COS)(H)	C(NC[6a]H)(OC)(S)	O(CCHH)(CNS)	N(C[6a]C[6a]2)(COS)(H)	113.0515	0.402	12	113.0515	0.162	12	112.5301	2.007	30	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:S-1:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC)(S)	O(CCHH)(CNS)	N(C[6a]C[6a]N[6a])(COS)(H)	C(NC[6a]H)(OC)(S)	O(CCHH)(CNS)	N(C[6a]C[6a]N[6a])(COS)(H)	109.6210	0.438	2	109.6210	0.192	2	112.5301	2.007	30	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:S-1:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC)(S)	O(CH3)(CNS)	N(C[6a]C[6a]2)(COS)(H)	C(NC[6a]H)(OC)(S)	O(CH3)(CNS)	N(C[6a]C[6a]2)(COS)(H)	112.3184	1.823	11	112.3184	3.325	11	112.5301	2.007	30	109.1149	2.539	509	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:2:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-2:	C(NCN)(OC)(O)	O(CCCH)(CNO)	N(COO)2(NC)	C(NCN)(OC)(O)	O(CCCH)(CNO)	N(COO)2(NC)	110.6205	0.879	2	110.6205	0.773	2	110.1217	0.591	4	110.1220	0.343	7	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:2:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-2:	C(NCN)(OC)(O)	O(CCHH)(CNO)	N(COO)2(NC)	C(NCN)(OC)(O)	O(CCHH)(CNO)	N(COO)2(NC)	109.6230	0.069	2	109.6230	0.005	2	110.1217	0.591	4	110.1220	0.343	7	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:2:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-2:	C(NC[6a]C)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]2)(COO)(CC)	C(NC[6a]C)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]2)(COO)(CC)	109.9930	0.000	1	109.9930	0.000	1	109.9930	0.000	1	110.1220	0.343	7	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:2:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:N-2:	C(NC[6a]N)(OC)(O)	O(CCHH)(CNO)	N(C[6a]C[6a]2)(COO)(NC)	C(NC[6a]N)(OC)(O)	O(CCHH)(CNO)	N(C[6a]C[6a]2)(COO)(NC)	109.8250	0.000	1	109.8250	0.000	1	109.8250	0.000	1	110.1220	0.343	7	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:2:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:O-2:	C(NC[6a]O)(OC)(O)	O(CH3)(CNO)	N(C[6a]C[6a]2)(COO)(OH)	C(NC[6a]O)(OC)(O)	O(CH3)(CNO)	N(C[6a]C[6a]2)(COO)(OH)	110.5490	0.000	1	110.5490	0.000	1	110.5490	0.000	1	110.1220	0.343	7	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CCC)(COO)2	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CCC)(COO)2	107.8760	0.738	2	107.8760	0.545	2	108.6829	1.885	10	109.6632	2.268	86	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CC[6a]O)(COO)2	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CC[6a]O)(COO)2	108.8846	1.454	8	108.8846	2.113	8	108.6829	1.885	10	109.6632	2.268	86	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-3:	C(NCN)(OC)(O)	O(CC3)(CNO)	N(CC[6a]C[5])(COO)(NCH)	C(NCN)(OC)(O)	O(CC3)(CNO)	N(CC[6a]C[5])(COO)(NCH)	109.2095	0.688	2	109.2095	0.473	2	109.9881	0.902	8	109.6632	2.268	86	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-3:	C(NCN)(OC)(O)	O(CC3)(CNO)	N(COO)2(NCH)	C(NCN)(OC)(O)	O(CC3)(CNO)	N(COO)2(NCH)	109.9780	0.725	2	109.9780	0.526	2	109.9881	0.902	8	109.6632	2.268	86	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-3:	C(NCN)(OC)(O)	O(CCCH)(CNO)	N(CCN)(COO)(NCH)	C(NCN)(OC)(O)	O(CCCH)(CNO)	N(CCN)(COO)(NCH)	110.6805	0.695	2	110.6805	0.483	2	109.9881	0.902	8	109.6632	2.268	86	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-3:	C(NCN)(OC)(O)	O(CH3)(CNO)	N(CCN)(COO)(NCC)	C(NCN)(OC)(O)	O(CH3)(CNO)	N(CCN)(COO)(NCC)	110.0845	1.626	2	110.0845	2.643	2	109.9881	0.902	8	109.6632	2.268	86	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:N-3:	C(NC[5a]N)(OC)(O)	O(CCCH)(CNO)	N(C[5a]C[5a]S[5a])(COO)(NCH)	C(NC[5a]N)(OC)(O)	O(CCCH)(CNO)	N(C[5a]C[5a]S[5a])(COO)(NCH)	109.9700	0.000	1	109.9700	0.000	1	109.9700	0.000	1	109.6632	2.268	86	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[5a,6a]N[6a])(COO)2	C(NC[6a]C)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[5a,6a]N[6a])(COO)2	108.9352	1.217	4	108.9352	1.481	4	109.6256	3.259	37	109.6632	2.268	86	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a,6a]N[6a])(COO)2	C(NC[6a]C)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a,6a]N[6a])(COO)2	108.9470	2.478	4	108.9470	6.142	4	109.6256	3.259	37	109.6632	2.268	86	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]2)(CCC)(COO)	C(NC[6a]C)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]2)(CCC)(COO)	109.4570	0.000	1	109.4570	0.000	1	109.6256	3.259	37	109.6632	2.268	86	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]2)(CCO)(COO)	C(NC[6a]C)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]2)(CCO)(COO)	111.7690	0.000	1	111.7690	0.000	1	109.6256	3.259	37	109.6632	2.268	86	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]2)(CC[5a]C)(COO)	C(NC[6a]C)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]2)(CC[5a]C)(COO)	109.2160	0.000	1	109.2160	0.000	1	109.6256	3.259	37	109.6632	2.268	86	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(COO)	C(NC[6a]C)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]2)(CC[6a]O)(COO)	110.9100	0.000	1	110.9100	0.000	1	109.6256	3.259	37	109.6632	2.268	86	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]2)(CNO)(COO)	C(NC[6a]C)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]2)(CNO)(COO)	109.4010	0.000	1	109.4010	0.000	1	109.6256	3.259	37	109.6632	2.268	86	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]2)(CN[6]C)(COO)	C(NC[6a]C)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]2)(CN[6]C)(COO)	111.2470	0.000	1	111.2470	0.000	1	109.6256	3.259	37	109.6632	2.268	86	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]2)(COO)2	C(NC[6a]C)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]2)(COO)2	110.3883	1.982	10	110.3883	3.929	10	109.6256	3.259	37	109.6632	2.268	86	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]N[6a])(COO)2	C(NC[6a]C)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]N[6a])(COO)2	107.5345	1.139	4	107.5345	1.296	4	109.6256	3.259	37	109.6632	2.268	86	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(OC)(O)	O(CC3)(CNO)	N(C[6a]N[6a]2)(COO)2	C(NC[6a]C)(OC)(O)	O(CC3)(CNO)	N(C[6a]N[6a]2)(COO)2	108.5097	0.965	4	108.5097	0.930	4	109.6256	3.259	37	109.6632	2.268	86	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(OC)(O)	O(CCHH)(CNO)	N(C[6a]C[6a]2)(CCH)(COO)	C(NC[6a]C)(OC)(O)	O(CCHH)(CNO)	N(C[6a]C[6a]2)(CCH)(COO)	111.4570	0.000	1	111.4570	0.000	1	109.6256	3.259	37	109.6632	2.268	86	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(OC)(O)	O(CCHH)(CNO)	N(C[6a]C[6a]2)(CCO)(COO)	C(NC[6a]C)(OC)(O)	O(CCHH)(CNO)	N(C[6a]C[6a]2)(CCO)(COO)	111.9550	0.000	1	111.9550	0.000	1	109.6256	3.259	37	109.6632	2.268	86	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(OC)(O)	O(CCHH)(CNO)	N(C[6a]C[6a]2)(CNO)(COO)	C(NC[6a]C)(OC)(O)	O(CCHH)(CNO)	N(C[6a]C[6a]2)(CNO)(COO)	110.3800	0.000	1	110.3800	0.000	1	109.6256	3.259	37	109.6632	2.268	86	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(OC)(O)	O(CH3)(CNO)	N(C[6a]C[6a]2)(CCH)(COO)	C(NC[6a]C)(OC)(O)	O(CH3)(CNO)	N(C[6a]C[6a]2)(CCH)(COO)	111.0070	0.000	1	111.0070	0.000	1	109.6256	3.259	37	109.6632	2.268	86	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(OC)(O)	O(CHHO)(CNO)	N(C[6a]C[6a]2)(CC[5a]N[6])(COO)	C(NC[6a]C)(OC)(O)	O(CHHO)(CNO)	N(C[6a]C[6a]2)(CC[5a]N[6])(COO)	109.7600	0.000	1	109.7600	0.000	1	109.6256	3.259	37	109.6632	2.268	86	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:N-3:	C(NC[6a]N)(OC)(O)	O(CCCH)(CNO)	N(C[6a]C[6a,6a]C[6a])(COO)(NCH)	C(NC[6a]N)(OC)(O)	O(CCCH)(CNO)	N(C[6a]C[6a,6a]C[6a])(COO)(NCH)	109.8910	0.000	2	109.8910	0.000	2	110.4423	0.329	8	109.6632	2.268	86	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:N-3:	C(NC[6a]N)(OC)(O)	O(CCHH)(CNO)	N(C[6a]C[6a,6a]C[6a])(COO)(NCH)	C(NC[6a]N)(OC)(O)	O(CCHH)(CNO)	N(C[6a]C[6a,6a]C[6a])(COO)(NCH)	110.3380	0.000	1	110.3380	0.000	1	110.4423	0.329	8	109.6632	2.268	86	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:N-3:	C(NC[6a]N)(OC)(O)	O(CCHH)(CNO)	N(C[6a]N[5a,6a]C[5,6a])(COO)(NCH)	C(NC[6a]N)(OC)(O)	O(CCHH)(CNO)	N(C[6a]N[5a,6a]C[5,6a])(COO)(NCH)	110.9375	0.832	2	110.9375	0.693	2	110.4423	0.329	8	109.6632	2.268	86	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:N-3:	C(NC[6a]N)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[6a]C[6a]2)(COO)(NCH)	C(NC[6a]N)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[6a]C[6a]2)(COO)(NCH)	111.0060	0.000	1	111.0060	0.000	1	110.4423	0.329	8	109.6632	2.268	86	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:N-3:	C(NC[6a]N)(OC)(O)	O(CH3)(CNO)	N(C[6a]C[6a]2)(COO)(NCH)	C(NC[6a]N)(OC)(O)	O(CH3)(CNO)	N(C[6a]C[6a]2)(COO)(NCH)	110.2685	0.353	2	110.2685	0.125	2	110.4423	0.329	8	109.6632	2.268	86	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(COO)	C(NC[6a]2)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]2)(C[6a]N[6a]2)(COO)	108.6697	1.686	3	108.6697	2.841	3	109.7185	2.536	8	109.6632	2.268	86	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(COO)	C(NC[6a]2)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]N[6a])(C[6a]C[6a]2)(COO)	110.3478	1.303	5	110.3478	1.697	5	109.7185	2.536	8	109.6632	2.268	86	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:N-3:C-3:	C(NC[6a]N)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]2)(NC[6a]H)(COO)	C(NC[6a]N)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]2)(NC[6a]H)(COO)	109.7756	1.226	11	109.7756	1.504	11	109.7756	1.504	11	109.6632	2.268	86	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	N[5]-3:C[6a]-3:C-3:	C(NC[6a]N[5])(OC)(O)	O(CC3)(CNO)	N(N[5]C[5,5]C[5])(C[6a]C[6a]2)(COO)	C(NC[6a]N[5])(OC)(O)	O(CC3)(CNO)	N(N[5]C[5,5]C[5])(C[6a]C[6a]2)(COO)	108.9550	0.000	1	108.9550	0.000	1	109.3745	0.352	2	109.6632	2.268	86	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	N[5]-3:C[6a]-3:C-3:	C(NC[6a]N[5])(OC)(O)	O(CC[6a]HH)(CNO)	N(N[5]C[5,5]C[5])(C[6a]C[6a]2)(COO)	C(NC[6a]N[5])(OC)(O)	O(CC[6a]HH)(CNO)	N(N[5]C[5,5]C[5])(C[6a]C[6a]2)(COO)	109.7940	0.000	1	109.7940	0.000	1	109.3745	0.352	2	109.6632	2.268	86	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:S-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(OC)(S)	O(CCHH)(CNS)	N(C[6a]C[6a]2)(CC[6a]O)(COS)	C(NC[6a]C)(OC)(S)	O(CCHH)(CNS)	N(C[6a]C[6a]2)(CC[6a]O)(COS)	110.6200	0.000	1	110.6200	0.000	1	110.6200	0.000	1	109.6632	2.268	86	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:4:3:	N-3:O-2:O-1:	B-4:C-3:	C[6a]-3:P-4:C-3:	C(NC[6a]P)(OB)(O)	O(BC[6a]3)(CNO)	N(C[6a]C[6a]2)(PC[6a]3)(COO)	C(NC[6a]P)(OB)(O)	O(BC[6a]3)(CNO)	N(C[6a]C[6a]2)(PC[6a]3)(COO)	111.3060	0.000	1	111.3060	0.000	1	111.3060	0.000	1	110.9532	1.395	32	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:4:3:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-4:C-3:	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CC[5a]O)(CCHH)(COO)	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CC[5a]O)(CCHH)(COO)	108.9140	0.000	1	108.9140	0.000	1	110.0890	0.792	4	110.9532	1.395	32	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:4:3:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-4:C-3:	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CC[6a]C)(CH3)(COO)	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CC[6a]C)(CH3)(COO)	110.5040	0.728	2	110.5040	0.530	2	110.0890	0.792	4	110.9532	1.395	32	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:4:3:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-4:C-3:	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CC[6a]O)(CCCH)(COO)	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CC[6a]O)(CCCH)(COO)	110.4340	0.000	1	110.4340	0.000	1	110.0890	0.792	4	110.9532	1.395	32	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:4:3:	N-3:O-2:O-1:	C-4:C-3:	C[5]-3:C-4:C-3:	C(NC[5]C)(OC)(O)	O(CH3)(CNO)	N(C[5]C[5]2)(CCHH)(COO)	C(NC[5]C)(OC)(O)	O(CH3)(CNO)	N(C[5]C[5]2)(CCHH)(COO)	111.7300	0.000	1	111.7300	0.000	1	111.7300	0.000	1	110.9532	1.395	32	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:4:3:	N-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-4:C-3:	C(NC[5a]C)(OC)(O)	O(CC3)(CNO)	N(C[5a]N[5a]S[5a])(CC[6a]HH)(COO)	C(NC[5a]C)(OC)(O)	O(CC3)(CNO)	N(C[5a]N[5a]S[5a])(CC[6a]HH)(COO)	110.6650	0.124	3	110.6650	0.015	3	110.6311	0.627	8	110.9532	1.395	32	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:4:3:	N-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-4:C-3:	C(NC[5a]C)(OC)(O)	O(CC3)(CNO)	N(C[5a]N[5a]S[5a])(CH3)(COO)	C(NC[5a]C)(OC)(O)	O(CC3)(CNO)	N(C[5a]N[5a]S[5a])(CH3)(COO)	110.3950	1.598	2	110.3950	2.554	2	110.6311	0.627	8	110.9532	1.395	32	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:4:3:	N-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-4:C-3:	C(NC[5a]C)(OC)(O)	O(CH3)(CNO)	N(C[5a]N[5a]2)(CCHH)(COO)	C(NC[5a]C)(OC)(O)	O(CH3)(CNO)	N(C[5a]N[5a]2)(CCHH)(COO)	110.4230	0.000	1	110.4230	0.000	1	110.6311	0.627	8	110.9532	1.395	32	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:4:3:	N-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-4:C-3:	C(NC[5a]C)(OC)(O)	O(CH3)(CNO)	N(C[5a]N[5a]2)(CC[5]HH)(COO)	C(NC[5a]C)(OC)(O)	O(CH3)(CNO)	N(C[5a]N[5a]2)(CC[5]HH)(COO)	110.9205	1.216	2	110.9205	1.477	2	110.6311	0.627	8	110.9532	1.395	32	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:4:3:	N-3:O-2:O-1:	C-4:C-3:	C[6]-3:C-4:C-3:	C(NC[6]C)(OC)(O)	O(CC3)(CNO)	N(C[6]C[6]2)(CCHH)(COO)	C(NC[6]C)(OC)(O)	O(CC3)(CNO)	N(C[6]C[6]2)(CCHH)(COO)	111.6280	0.000	1	111.6280	0.000	1	111.6280	0.000	1	110.9532	1.395	32	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:4:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]2)(CCHH)(COO)	C(NC[6a]C)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]2)(CCHH)(COO)	110.3080	0.488	2	110.3080	0.238	2	111.0143	1.775	15	110.9532	1.395	32	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:4:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]2)(CC[6a]HH)(COO)	C(NC[6a]C)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]2)(CC[6a]HH)(COO)	109.1110	0.000	1	109.1110	0.000	1	111.0143	1.775	15	110.9532	1.395	32	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:4:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]2)(CH3)(COO)	C(NC[6a]C)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]2)(CH3)(COO)	110.4070	0.000	1	110.4070	0.000	1	111.0143	1.775	15	110.9532	1.395	32	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:4:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(COO)	C(NC[6a]C)(OC)(O)	O(CC3)(CNO)	N(C[6a]C[6a]N[6a])(CC[6a]HH)(COO)	109.8620	0.000	1	109.8620	0.000	1	111.0143	1.775	15	110.9532	1.395	32	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:4:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(OC)(O)	O(CC3)(CNO)	N(C[6a]N[6a]2)(CH3)(COO)	C(NC[6a]C)(OC)(O)	O(CC3)(CNO)	N(C[6a]N[6a]2)(CH3)(COO)	112.7520	1.421	3	112.7520	2.019	3	111.0143	1.775	15	110.9532	1.395	32	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:4:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(OC)(O)	O(CCHH)(CNO)	N(C[6a]C[6a]2)(CCHH)(COO)	C(NC[6a]C)(OC)(O)	O(CCHH)(CNO)	N(C[6a]C[6a]2)(CCHH)(COO)	110.9280	0.608	2	110.9280	0.370	2	111.0143	1.775	15	110.9532	1.395	32	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:4:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(OC)(O)	O(CCHH)(CNO)	N(C[6a]C[6a]2)(CH3)(COO)	C(NC[6a]C)(OC)(O)	O(CCHH)(CNO)	N(C[6a]C[6a]2)(CH3)(COO)	112.6650	0.000	1	112.6650	0.000	1	111.0143	1.775	15	110.9532	1.395	32	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:4:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[6a]C[6a]2)(CCHH)(COO)	C(NC[6a]C)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[6a]C[6a]2)(CCHH)(COO)	110.5890	0.000	1	110.5890	0.000	1	111.0143	1.775	15	110.9532	1.395	32	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:4:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(OC)(O)	O(CH3)(CNO)	N(C[6a]C[6a]2)(CC[6a]HO)(COO)	C(NC[6a]C)(OC)(O)	O(CH3)(CNO)	N(C[6a]C[6a]2)(CC[6a]HO)(COO)	109.6510	0.000	1	109.6510	0.000	1	111.0143	1.775	15	110.9532	1.395	32	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:4:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(OC)(O)	O(CH3)(CNO)	N(C[6a]C[6a]2)(CH3)(COO)	C(NC[6a]C)(OC)(O)	O(CH3)(CNO)	N(C[6a]C[6a]2)(CH3)(COO)	111.1005	0.197	2	111.1005	0.039	2	111.0143	1.775	15	110.9532	1.395	32	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	3:4:3:	N-3:O-2:O-1:	Si-4:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(OSi)(O)	O(SiC3)(CNO)	N(C[6a]C[6a]2)(CC3)(COO)	C(NC[6a]C)(OSi)(O)	O(SiC3)(CNO)	N(C[6a]C[6a]2)(CC3)(COO)	112.6105	1.039	2	112.6105	1.079	2	112.6105	1.079	2	110.9532	1.395	32	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC3)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC3)(COO)(H)	109.8161	0.830	30	109.8161	0.689	30	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CCCH)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CCCH)(COO)(H)	110.0528	0.821	301	110.0528	0.674	301	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CCHH)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CCHH)(COO)(H)	110.0013	0.757	88	110.0013	0.573	88	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CCHO)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CCHO)(COO)(H)	109.2510	0.000	1	109.2510	0.000	1	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CCHP)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CCHP)(COO)(H)	109.3760	0.000	1	109.3760	0.000	1	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CCHS)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CCHS)(COO)(H)	109.1790	0.000	1	109.1790	0.000	1	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[3]CH)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[3]CH)(COO)(H)	109.2470	0.720	5	109.2470	0.518	5	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[3x6]CH)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[3x6]CH)(COO)(H)	109.9763	0.736	3	109.9763	0.542	3	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[4]CH)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[4]CH)(COO)(H)	109.4995	0.699	2	109.4995	0.489	2	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[4]HH)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[4]HH)(COO)(H)	110.0930	0.000	1	110.0930	0.000	1	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[5]CH)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[5]CH)(COO)(H)	109.5399	0.350	7	109.5399	0.123	7	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[5]HH)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[5]HH)(COO)(H)	110.2765	0.458	8	110.2765	0.210	8	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[5]HS)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[5]HS)(COO)(H)	109.6340	0.000	1	109.6340	0.000	1	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[5a]CH)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[5a]CH)(COO)(H)	110.2576	0.351	5	110.2576	0.123	5	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[5a]HH)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[5a]HH)(COO)(H)	110.2127	0.426	4	110.2127	0.181	4	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[6,6]HH)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[6,6]HH)(COO)(H)	108.7010	0.000	1	108.7010	0.000	1	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[6]CH)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[6]CH)(COO)(H)	108.8875	0.145	4	108.8875	0.021	4	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[6]HH)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[6]HH)(COO)(H)	109.7856	1.723	8	109.7856	2.970	8	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[6a]CC)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[6a]CC)(COO)(H)	111.4020	0.000	1	111.4020	0.000	1	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[6a]CH)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[6a]CH)(COO)(H)	109.5167	0.608	42	109.5167	0.370	42	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[6a]CP)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[6a]CP)(COO)(H)	107.6490	0.000	1	107.6490	0.000	1	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[6a]CS)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[6a]CS)(COO)(H)	112.2160	0.000	1	112.2160	0.000	1	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[6a]C[5]H)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[6a]C[5]H)(COO)(H)	110.2843	1.735	26	110.2843	3.010	26	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[6a]C[6]H)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[6a]C[6]H)(COO)(H)	110.2528	1.253	5	110.2528	1.571	5	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[6a]HH)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[6a]HH)(COO)(H)	109.6330	0.817	4	109.6330	0.668	4	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[6a]HO)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[6a]HO)(COO)(H)	109.4170	0.000	1	109.4170	0.000	1	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[6a]HS)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[6a]HS)(COO)(H)	109.9200	0.000	1	109.9200	0.000	1	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[6a]N[5]H)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[6a]N[5]H)(COO)(H)	109.1065	0.046	2	109.1065	0.002	2	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CCCH)(CNO)	N(CC[6]HH)(COO)(H)	C(NCH)(OC)(O)	O(CCCH)(CNO)	N(CC[6]HH)(COO)(H)	109.7950	0.000	1	109.7950	0.000	1	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CCCH)(CNO)	N(CC[6a]CH)(COO)(H)	C(NCH)(OC)(O)	O(CCCH)(CNO)	N(CC[6a]CH)(COO)(H)	110.7520	0.000	1	110.7520	0.000	1	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CCHH)(CNO)	N(CCCH)(COO)(H)	C(NCH)(OC)(O)	O(CCHH)(CNO)	N(CCCH)(COO)(H)	110.6512	0.861	5	110.6512	0.741	5	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CCHH)(CNO)	N(CCHH)(COO)(H)	C(NCH)(OC)(O)	O(CCHH)(CNO)	N(CCHH)(COO)(H)	110.8450	0.895	8	110.8450	0.802	8	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CCHH)(CNO)	N(CC[6a]CH)(COO)(H)	C(NCH)(OC)(O)	O(CCHH)(CNO)	N(CC[6a]CH)(COO)(H)	110.6040	0.394	3	110.6040	0.155	3	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CCHH)(CNO)	N(CH3)(COO)(H)	C(NCH)(OC)(O)	O(CCHH)(CNO)	N(CH3)(COO)(H)	110.8990	0.000	1	110.8990	0.000	1	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC[3]CH)(CNO)	N(CC3)(COO)(H)	C(NCH)(OC)(O)	O(CC[3]CH)(CNO)	N(CC3)(COO)(H)	109.2210	0.000	1	109.2210	0.000	1	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC[5]HH)(CNO)	N(CCCH)(COO)(H)	C(NCH)(OC)(O)	O(CC[5]HH)(CNO)	N(CCCH)(COO)(H)	110.6390	0.725	26	110.6390	0.525	26	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC[5]HH)(CNO)	N(CCHH)(COO)(H)	C(NCH)(OC)(O)	O(CC[5]HH)(CNO)	N(CCHH)(COO)(H)	111.3235	1.092	2	111.3235	1.194	2	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC[5]HH)(CNO)	N(CC[5]HH)(COO)(H)	C(NCH)(OC)(O)	O(CC[5]HH)(CNO)	N(CC[5]HH)(COO)(H)	110.0750	0.000	1	110.0750	0.000	1	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC[5]HH)(CNO)	N(CC[6]CH)(COO)(H)	C(NCH)(OC)(O)	O(CC[5]HH)(CNO)	N(CC[6]CH)(COO)(H)	109.8770	0.000	1	109.8770	0.000	1	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC[5]HH)(CNO)	N(CC[6a]CH)(COO)(H)	C(NCH)(OC)(O)	O(CC[5]HH)(CNO)	N(CC[6a]CH)(COO)(H)	108.8035	0.080	2	108.8035	0.006	2	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC[6]HH)(CNO)	N(CC3)(COO)(H)	C(NCH)(OC)(O)	O(CC[6]HH)(CNO)	N(CC3)(COO)(H)	112.2950	0.000	1	112.2950	0.000	1	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC[6a]CH)(CNO)	N(CCCH)(COO)(H)	C(NCH)(OC)(O)	O(CC[6a]CH)(CNO)	N(CCCH)(COO)(H)	110.5400	0.584	5	110.5400	0.341	5	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC3)(COO)(H)	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC3)(COO)(H)	110.4726	0.894	10	110.4726	0.798	10	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CCCH)(COO)(H)	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CCCH)(COO)(H)	110.4821	0.712	39	110.4821	0.507	39	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CCCP)(COO)(H)	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CCCP)(COO)(H)	108.7625	0.088	2	108.7625	0.008	2	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CCHH)(COO)(H)	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CCHH)(COO)(H)	110.7405	1.363	12	110.7405	1.857	12	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CCHN)(COO)(H)	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CCHN)(COO)(H)	110.4340	0.000	1	110.4340	0.000	1	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[3]CH)(COO)(H)	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[3]CH)(COO)(H)	110.5930	0.000	1	110.5930	0.000	1	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[4]CH)(COO)(H)	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[4]CH)(COO)(H)	110.9123	0.644	4	110.9123	0.414	4	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[4]HH)(COO)(H)	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[4]HH)(COO)(H)	110.9680	0.000	1	110.9680	0.000	1	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[5,6]C[6a]H)(COO)(H)	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[5,6]C[6a]H)(COO)(H)	109.2020	0.000	1	109.2020	0.000	1	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[5]CH)(COO)(H)	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[5]CH)(COO)(H)	111.2540	0.445	2	111.2540	0.198	2	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[5]HH)(COO)(H)	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[5]HH)(COO)(H)	108.6235	0.398	2	108.6235	0.158	2	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[5a]CC)(COO)(H)	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[5a]CC)(COO)(H)	108.8380	0.000	1	108.8380	0.000	1	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[5a]CH)(COO)(H)	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[5a]CH)(COO)(H)	108.9150	0.000	1	108.9150	0.000	1	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[5a]C[6a]H)(COO)(H)	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[5a]C[6a]H)(COO)(H)	110.0300	0.000	1	110.0300	0.000	1	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[6]HH)(COO)(H)	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[6]HH)(COO)(H)	110.4850	0.000	1	110.4850	0.000	1	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[6a]CC)(COO)(H)	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[6a]CC)(COO)(H)	109.2125	0.577	6	109.2125	0.332	6	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[6a]CH)(COO)(H)	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[6a]CH)(COO)(H)	110.0130	1.010	8	110.0130	1.020	8	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[6a]C[3]H)(COO)(H)	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[6a]C[3]H)(COO)(H)	111.0425	1.213	2	111.0425	1.471	2	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[6a]HH)(COO)(H)	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[6a]HH)(COO)(H)	110.3810	0.000	1	110.3810	0.000	1	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CN[3]CH)(COO)(H)	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CN[3]CH)(COO)(H)	110.6210	0.000	1	110.6210	0.000	1	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CN[5]CH)(COO)(H)	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CN[5]CH)(COO)(H)	108.6350	0.000	1	108.6350	0.000	1	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CH3)(CNO)	N(CCCH)(COO)(H)	C(NCH)(OC)(O)	O(CH3)(CNO)	N(CCCH)(COO)(H)	111.1800	0.236	2	111.1800	0.056	2	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CH3)(CNO)	N(CCHH)(COO)(H)	C(NCH)(OC)(O)	O(CH3)(CNO)	N(CCHH)(COO)(H)	110.2011	0.898	8	110.2011	0.807	8	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CH3)(CNO)	N(CC[5]CH)(COO)(H)	C(NCH)(OC)(O)	O(CH3)(CNO)	N(CC[5]CH)(COO)(H)	109.5370	0.000	2	109.5370	0.000	2	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CH3)(CNO)	N(CC[6a]2H)(COO)(H)	C(NCH)(OC)(O)	O(CH3)(CNO)	N(CC[6a]2H)(COO)(H)	110.6200	0.000	1	110.6200	0.000	1	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CH3)(CNO)	N(CC[6a]C[5]H)(COO)(H)	C(NCH)(OC)(O)	O(CH3)(CNO)	N(CC[6a]C[5]H)(COO)(H)	110.1885	1.208	2	110.1885	1.460	2	110.0700	0.844	726	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[3]-4:C-3:H-1:	C(NC[3]H)(OC)(O)	O(CC3)(CNO)	N(C[3]C[3]2C)(COO)(H)	C(NC[3]H)(OC)(O)	O(CC3)(CNO)	N(C[3]C[3]2C)(COO)(H)	108.8120	0.000	1	108.8120	0.000	1	108.8120	0.000	1	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[3x4]-4:C-3:H-1:	C(NC[3x4]H)(OC)(O)	O(CC3)(CNO)	N(C[3x4]C[4,4]3)(COO)(H)	C(NC[3x4]H)(OC)(O)	O(CC3)(CNO)	N(C[3x4]C[4,4]3)(COO)(H)	112.4580	0.000	1	112.4580	0.000	1	112.4580	0.000	1	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[3x6]-4:C-3:H-1:	C(NC[3x6]H)(OC)(O)	O(CC3)(CNO)	N(C[3x6]C[6,6]3)(COO)(H)	C(NC[3x6]H)(OC)(O)	O(CC3)(CNO)	N(C[3x6]C[6,6]3)(COO)(H)	111.7170	2.330	3	111.7170	5.430	3	110.9153	6.191	4	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[3x6]-4:C-3:H-1:	C(NC[3x6]H)(OC)(O)	O(CC[3]CH)(CNO)	N(C[3x6]C[6,6]3)(COO)(H)	C(NC[3x6]H)(OC)(O)	O(CC[3]CH)(CNO)	N(C[3x6]C[6,6]3)(COO)(H)	108.5100	0.000	1	108.5100	0.000	1	110.9153	6.191	4	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[4,5]-4:C-3:H-1:	C(NC[4,5]H)(OC)(O)	O(CH3)(CNO)	N(C[4,5]C[4,5,5]2H)(COO)(H)	C(NC[4,5]H)(OC)(O)	O(CH3)(CNO)	N(C[4,5]C[4,5,5]2H)(COO)(H)	110.5450	0.665	4	110.5450	0.442	4	110.5450	0.442	4	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[4]-4:C-3:H-1:	C(NC[4]H)(OC)(O)	O(CC3)(CNO)	N(C[4]C[4]2C)(COO)(H)	C(NC[4]H)(OC)(O)	O(CC3)(CNO)	N(C[4]C[4]2C)(COO)(H)	111.6243	0.933	4	111.6243	0.870	4	110.7394	1.309	14	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[4]-4:C-3:H-1:	C(NC[4]H)(OC)(O)	O(CC3)(CNO)	N(C[4]C[4]2H)(COO)(H)	C(NC[4]H)(OC)(O)	O(CC3)(CNO)	N(C[4]C[4]2H)(COO)(H)	109.9902	1.257	5	109.9902	1.581	5	110.7394	1.309	14	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[4]-4:C-3:H-1:	C(NC[4]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[4]C[4]2C)(COO)(H)	C(NC[4]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[4]C[4]2C)(COO)(H)	111.0113	0.599	4	111.0113	0.359	4	110.7394	1.309	14	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[4]-4:C-3:H-1:	C(NC[4]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[4]C[4]2H)(COO)(H)	C(NC[4]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[4]C[4]2H)(COO)(H)	109.8590	0.000	1	109.8590	0.000	1	110.7394	1.309	14	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5,6]-4:C-3:H-1:	C(NC[5,6]H)(OC)(O)	O(CC3)(CNO)	N(C[5,6]C[5,5,6,6]C[5]C[6])(COO)(H)	C(NC[5,6]H)(OC)(O)	O(CC3)(CNO)	N(C[5,6]C[5,5,6,6]C[5]C[6])(COO)(H)	108.6320	0.000	1	108.6320	0.000	1	108.6320	0.000	1	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[3,5]C[5]H)(COO)(H)	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[3,5]C[5]H)(COO)(H)	109.5070	0.000	1	109.5070	0.000	1	109.6697	1.154	140	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,5]C[5]H)(COO)(H)	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,5]C[5]H)(COO)(H)	109.6476	0.684	5	109.6476	0.468	5	109.6697	1.154	140	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6]C[5]H)(COO)(H)	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6]C[5]H)(COO)(H)	108.3440	0.000	1	108.3440	0.000	1	109.6697	1.154	140	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6]N[5]H)(COO)(H)	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6]N[5]H)(COO)(H)	108.7620	0.346	2	108.7620	0.120	2	109.6697	1.154	140	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6a]C[5,5]C[5])(COO)(H)	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6a]C[5,5]C[5])(COO)(H)	109.1830	0.000	1	109.1830	0.000	1	109.6697	1.154	140	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6a]C[5]2)(COO)(H)	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6a]C[5]2)(COO)(H)	109.1504	1.158	12	109.1504	1.341	12	109.6697	1.154	140	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6a]C[5]C)(COO)(H)	109.6696	0.828	27	109.6696	0.686	27	109.6697	1.154	140	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6a]C[5]C[6])(COO)(H)	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6a]C[5]C[6])(COO)(H)	109.3410	0.000	1	109.3410	0.000	1	109.6697	1.154	140	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6a]C[5]H)(COO)(H)	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6a]C[5]H)(COO)(H)	110.0400	0.000	1	110.0400	0.000	1	109.6697	1.154	140	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6a]C[5]N)(COO)(H)	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6a]C[5]N)(COO)(H)	109.9060	0.000	1	109.9060	0.000	1	109.6697	1.154	140	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6a]C[5]O)(COO)(H)	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6a]C[5]O)(COO)(H)	107.9570	0.000	1	107.9570	0.000	1	109.6697	1.154	140	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6a]C[5]P)(COO)(H)	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6a]C[5]P)(COO)(H)	110.9600	0.000	1	110.9600	0.000	1	109.6697	1.154	140	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6a]C[5a]C[5])(COO)(H)	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6a]C[5a]C[5])(COO)(H)	109.0540	0.898	2	109.0540	0.806	2	109.6697	1.154	140	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6a]C[6a]C[5])(COO)(H)	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6a]C[6a]C[5])(COO)(H)	109.2122	0.216	4	109.2122	0.047	4	109.6697	1.154	140	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6a]N[5a]C[5])(COO)(H)	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6a]N[5a]C[5])(COO)(H)	109.1830	1.943	3	109.1830	3.777	3	109.6697	1.154	140	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5]2C)(COO)(H)	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5]2C)(COO)(H)	110.0533	0.623	7	110.0533	0.388	7	109.6697	1.154	140	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5]2Fe)(COO)(H)	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5]2Fe)(COO)(H)	108.8270	0.524	3	108.8270	0.275	3	109.6697	1.154	140	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5]2H)(COO)(H)	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5]2H)(COO)(H)	110.1888	0.914	20	110.1888	0.836	20	109.6697	1.154	140	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5]N[5]C)(COO)(H)	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5]N[5]C)(COO)(H)	108.2565	0.392	10	108.2565	0.153	10	109.6697	1.154	140	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5a]C[5]2)(COO)(H)	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5a]C[5]2)(COO)(H)	110.8175	0.018	2	110.8175	0.000	2	109.6697	1.154	140	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[6a]C[5]2)(COO)(H)	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[6a]C[5]2)(COO)(H)	110.9900	0.000	1	110.9900	0.000	1	109.6697	1.154	140	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CCHH)(CNO)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C(NC[5]H)(OC)(O)	O(CCHH)(CNO)	N(C[5]C[5,6a]C[5]C)(COO)(H)	109.4810	0.000	1	109.4810	0.000	1	109.6697	1.154	140	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CCHH)(CNO)	N(C[5]C[5]2Fe)(COO)(H)	C(NC[5]H)(OC)(O)	O(CCHH)(CNO)	N(C[5]C[5]2Fe)(COO)(H)	113.3490	0.256	2	113.3490	0.066	2	109.6697	1.154	140	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CCHH)(CNO)	N(C[5]C[5]2H)(COO)(H)	C(NC[5]H)(OC)(O)	O(CCHH)(CNO)	N(C[5]C[5]2H)(COO)(H)	110.7777	0.392	3	110.7777	0.153	3	109.6697	1.154	140	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CCHH)(CNO)	N(C[5]C[6a]C[5]N[5])(COO)(H)	C(NC[5]H)(OC)(O)	O(CCHH)(CNO)	N(C[5]C[6a]C[5]N[5])(COO)(H)	109.8685	0.117	2	109.8685	0.014	2	109.6697	1.154	140	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC[5]HH)(CNO)	N(C[5]C[5]2Fe)(COO)(H)	C(NC[5]H)(OC)(O)	O(CC[5]HH)(CNO)	N(C[5]C[5]2Fe)(COO)(H)	109.0095	0.967	2	109.0095	0.934	2	109.6697	1.154	140	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC[5]HH)(CNO)	N(C[5]C[5]2H)(COO)(H)	C(NC[5]H)(OC)(O)	O(CC[5]HH)(CNO)	N(C[5]C[5]2H)(COO)(H)	109.5133	0.879	3	109.5133	0.773	3	109.6697	1.154	140	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[5]C[5]2C)(COO)(H)	C(NC[5]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[5]C[5]2C)(COO)(H)	110.6610	0.000	1	110.6610	0.000	1	109.6697	1.154	140	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[5]C[5]2Fe)(COO)(H)	C(NC[5]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[5]C[5]2Fe)(COO)(H)	109.5780	0.583	2	109.5780	0.339	2	109.6697	1.154	140	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[5]C[5]2H)(COO)(H)	C(NC[5]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[5]C[5]2H)(COO)(H)	110.3130	0.931	10	110.3130	0.866	10	109.6697	1.154	140	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[5]C[5]N[5]C)(COO)(H)	C(NC[5]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[5]C[5]N[5]C)(COO)(H)	108.9780	0.228	2	108.9780	0.052	2	109.6697	1.154	140	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CH3)(CNO)	N(C[5]C[5]2Fe)(COO)(H)	C(NC[5]H)(OC)(O)	O(CH3)(CNO)	N(C[5]C[5]2Fe)(COO)(H)	109.6387	0.498	6	109.6387	0.248	6	109.6697	1.154	140	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6,6]-4:C-3:H-1:	C(NC[6,6]H)(OC)(O)	O(CC3)(CNO)	N(C[6,6]C[4,6,6]C[6,6]C)(COO)(H)	C(NC[6,6]H)(OC)(O)	O(CC3)(CNO)	N(C[6,6]C[4,6,6]C[6,6]C)(COO)(H)	109.9840	0.000	1	109.9840	0.000	1	110.0824	0.273	7	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6,6]-4:C-3:H-1:	C(NC[6,6]H)(OC)(O)	O(CC3)(CNO)	N(C[6,6]C[6,6]2H)(COO)(H)	C(NC[6,6]H)(OC)(O)	O(CC3)(CNO)	N(C[6,6]C[6,6]2H)(COO)(H)	109.1780	0.000	1	109.1780	0.000	1	110.0824	0.273	7	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6,6]-4:C-3:H-1:	C(NC[6,6]H)(OC)(O)	O(CC3)(CNO)	N(C[6,6]C[6,6a]C[6,6]C[6])(COO)(H)	C(NC[6,6]H)(OC)(O)	O(CC3)(CNO)	N(C[6,6]C[6,6a]C[6,6]C[6])(COO)(H)	110.2830	0.391	5	110.2830	0.153	5	110.0824	0.273	7	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CC3)(CNO)	N(C[6]C[3,6]C[6]H)(COO)(H)	C(NC[6]H)(OC)(O)	O(CC3)(CNO)	N(C[6]C[3,6]C[6]H)(COO)(H)	108.5480	0.000	1	108.5480	0.000	1	110.0636	1.818	68	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CC3)(CNO)	N(C[6]C[6,6a]C[6]H)(COO)(H)	C(NC[6]H)(OC)(O)	O(CC3)(CNO)	N(C[6]C[6,6a]C[6]H)(COO)(H)	109.6217	0.663	6	109.6217	0.439	6	110.0636	1.818	68	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CC3)(CNO)	N(C[6]C[6]2C)(COO)(H)	C(NC[6]H)(OC)(O)	O(CC3)(CNO)	N(C[6]C[6]2C)(COO)(H)	109.8001	1.007	7	109.8001	1.014	7	110.0636	1.818	68	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CC3)(CNO)	N(C[6]C[6]2H)(COO)(H)	C(NC[6]H)(OC)(O)	O(CC3)(CNO)	N(C[6]C[6]2H)(COO)(H)	109.7812	1.204	28	109.7812	1.450	28	110.0636	1.818	68	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CCCH)(CNO)	N(C[6]C[6]2Ru)(COO)(H)	C(NC[6]H)(OC)(O)	O(CCCH)(CNO)	N(C[6]C[6]2Ru)(COO)(H)	107.4740	0.000	1	107.4740	0.000	1	110.0636	1.818	68	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CCHH)(CNO)	N(C[6]C[5,6]C[6]H)(COO)(H)	C(NC[6]H)(OC)(O)	O(CCHH)(CNO)	N(C[6]C[5,6]C[6]H)(COO)(H)	110.1550	0.000	1	110.1550	0.000	1	110.0636	1.818	68	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CC[5]HH)(CNO)	N(C[6]C[6]2C)(COO)(H)	C(NC[6]H)(OC)(O)	O(CC[5]HH)(CNO)	N(C[6]C[6]2C)(COO)(H)	108.3210	0.000	1	108.3210	0.000	1	110.0636	1.818	68	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CC[5]HH)(CNO)	N(C[6]C[6]2H)(COO)(H)	C(NC[6]H)(OC)(O)	O(CC[5]HH)(CNO)	N(C[6]C[6]2H)(COO)(H)	110.0780	0.000	1	110.0780	0.000	1	110.0636	1.818	68	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[6]C[5,6]C[6]H)(COO)(H)	C(NC[6]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[6]C[5,6]C[6]H)(COO)(H)	111.4610	0.000	1	111.4610	0.000	1	110.0636	1.818	68	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[6]C[6]2C)(COO)(H)	C(NC[6]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[6]C[6]2C)(COO)(H)	110.3995	0.383	2	110.3995	0.146	2	110.0636	1.818	68	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[6]C[6]2H)(COO)(H)	C(NC[6]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[6]C[6]2H)(COO)(H)	110.1857	1.063	6	110.1857	1.129	6	110.0636	1.818	68	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[6]C[6]2O)(COO)(H)	C(NC[6]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[6]C[6]2O)(COO)(H)	109.1690	0.000	1	109.1690	0.000	1	110.0636	1.818	68	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[6]C[6]N[6]H)(COO)(H)	C(NC[6]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[6]C[6]N[6]H)(COO)(H)	109.9113	0.251	3	109.9113	0.063	3	110.0636	1.818	68	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[6]C[6]O[6]C)(COO)(H)	C(NC[6]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[6]C[6]O[6]C)(COO)(H)	113.4715	0.072	4	113.4715	0.005	4	110.0636	1.818	68	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CGeHH)(CNO)	N(C[6]C[6]2H)(COO)(H)	C(NC[6]H)(OC)(O)	O(CGeHH)(CNO)	N(C[6]C[6]2H)(COO)(H)	110.6260	0.000	1	110.6260	0.000	1	110.0636	1.818	68	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CH3)(CNO)	N(C[6]C[6]2H)(COO)(H)	C(NC[6]H)(OC)(O)	O(CH3)(CNO)	N(C[6]C[6]2H)(COO)(H)	110.8000	0.656	3	110.8000	0.431	3	110.0636	1.818	68	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CH3)(CNO)	N(C[6]C[6]O[6]H)(COO)(H)	C(NC[6]H)(OC)(O)	O(CH3)(CNO)	N(C[6]C[6]O[6]H)(COO)(H)	110.3530	0.000	1	110.3530	0.000	1	110.0636	1.818	68	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	P-4:C-3:H-1:	C(NHP)(OC)(O)	O(CH3)(CNO)	N(PO3)(COO)(H)	C(NHP)(OC)(O)	O(CH3)(CNO)	N(PO3)(COO)(H)	109.1160	0.000	1	109.1160	0.000	1	109.1160	0.000	1	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C[6]-4:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CNO)	N(C[6]C[6]2H)(COO)(H)	C(NC[6]H)(OC[6])(O)	O(C[6]C[5,6]C[6]H)(CNO)	N(C[6]C[6]2H)(COO)(H)	109.1190	0.153	2	109.1190	0.023	2	109.1190	0.023	2	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:S-1:	C-4:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(S)	O(CH3)(CNS)	N(C[6]C[6]O[6]H)(COS)(H)	C(NC[6]H)(OC)(S)	O(CH3)(CNS)	N(C[6]C[6]O[6]H)(COS)(H)	109.1300	0.000	1	109.1300	0.000	1	109.1300	0.000	1	110.0227	1.007	970	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:2:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:O-2:	C(NCO)(OC)(O)	O(CC3)(CNO)	N(CC[5a]CH)(COO)(OH)	C(NCO)(OC)(O)	O(CC3)(CNO)	N(CC[5a]CH)(COO)(OH)	110.1910	0.082	2	110.1910	0.007	2	110.1910	0.007	2	110.7144	0.437	8	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:2:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:N-2:	C(NC[5]N)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5]2H)(COO)(NC)	C(NC[5]N)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5]2H)(COO)(NC)	110.9600	0.000	1	110.9600	0.000	1	110.9600	0.000	1	110.7144	0.437	8	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:2:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:O-2:	C(NC[5]O)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5]2H)(COO)(OH)	C(NC[5]O)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5]2H)(COO)(OH)	110.1670	0.413	2	110.1670	0.171	2	110.5223	0.464	3	110.7144	0.437	8	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:2:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:O-2:	C(NC[5]O)(OC)(O)	O(CH3)(CNO)	N(C[5]C[5]2C)(COO)(OH)	C(NC[5]O)(OC)(O)	O(CH3)(CNO)	N(C[5]C[5]2C)(COO)(OH)	111.2330	0.000	1	111.2330	0.000	1	110.5223	0.464	3	110.7144	0.437	8	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:2:	N-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:N-2:	C(NC[6]N)(OC)(O)	O(CC3)(CNO)	N(C[6]C[6,6a]N[6]H)(COO)(NC)	C(NC[6]N)(OC)(O)	O(CC3)(CNO)	N(C[6]C[6,6a]N[6]H)(COO)(NC)	110.9240	0.000	1	110.9240	0.000	1	110.9240	0.000	1	110.7144	0.437	8	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:2:	N-3:O-2:O-1:	C-4:C-3:	P[4]-4:C-3:N-2:	C(NP[4]N)(OC)(O)	O(CCCH)(CNO)	N(P[4]N[4]2N)(COO)(NC)	C(NP[4]N)(OC)(O)	O(CCCH)(CNO)	N(P[4]N[4]2N)(COO)(NC)	111.8820	0.000	1	111.8820	0.000	1	111.8820	0.000	1	110.7144	0.437	8	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CCCH)(CCO)(COO)	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CCCH)(CCO)(COO)	111.2970	1.978	3	111.2970	3.911	3	110.7709	2.856	13	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CCCH)(COO)2	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CCCH)(COO)2	112.6930	0.006	2	112.6930	0.000	2	110.7709	2.856	13	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CCHH)(CCO)(COO)	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CCHH)(CCO)(COO)	109.0915	0.339	2	109.0915	0.115	2	110.7709	2.856	13	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CC[3]HH)(CC[5a]O)(COO)	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CC[3]HH)(CC[5a]O)(COO)	113.0130	0.000	1	113.0130	0.000	1	110.7709	2.856	13	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CC[5]HH)(CCO)(COO)	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CC[5]HH)(CCO)(COO)	109.5200	0.000	1	109.5200	0.000	1	110.7709	2.856	13	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CC[6a]HH)(CCO)(COO)	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CC[6a]HH)(CCO)(COO)	108.8080	0.000	1	108.8080	0.000	1	110.7709	2.856	13	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CH3)(CNS)(COO)	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CH3)(CNS)(COO)	109.3780	0.000	1	109.3780	0.000	1	110.7709	2.856	13	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(NCC)(OC)(O)	O(CC[6a]HH)(CNO)	N(CCHH)(CCO)(COO)	C(NCC)(OC)(O)	O(CC[6a]HH)(CNO)	N(CCHH)(CCO)(COO)	111.0700	0.000	1	111.0700	0.000	1	110.7709	2.856	13	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(NCC)(OC)(O)	O(CH3)(CNO)	N(CCCH)(CCH)(COO)	C(NCC)(OC)(O)	O(CH3)(CNO)	N(CCCH)(CCH)(COO)	110.7730	0.000	1	110.7730	0.000	1	110.7709	2.856	13	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:N-3:	C(NCN)(OC)(O)	O(CC3)(CNO)	N(CC3)(COO)(NCH)	C(NCN)(OC)(O)	O(CC3)(CNO)	N(CC3)(COO)(NCH)	110.2650	0.000	1	110.2650	0.000	1	110.7743	1.473	12	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:N-3:	C(NCN)(OC)(O)	O(CC3)(CNO)	N(CCCN)(COO)(NCH)	C(NCN)(OC)(O)	O(CC3)(CNO)	N(CCCN)(COO)(NCH)	109.2980	0.000	1	109.2980	0.000	1	110.7743	1.473	12	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:N-3:	C(NCN)(OC)(O)	O(CC3)(CNO)	N(CCFF)(COO)(NCH)	C(NCN)(OC)(O)	O(CC3)(CNO)	N(CCFF)(COO)(NCH)	110.4900	0.000	1	110.4900	0.000	1	110.7743	1.473	12	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:N-3:	C(NCN)(OC)(O)	O(CC3)(CNO)	N(CCHH)(COO)(NCH)	C(NCN)(OC)(O)	O(CC3)(CNO)	N(CCHH)(COO)(NCH)	111.3100	0.000	1	111.3100	0.000	1	110.7743	1.473	12	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:N-3:	C(NCN)(OC)(O)	O(CC3)(CNO)	N(CC[6a]CC)(COO)(NCH)	C(NCN)(OC)(O)	O(CC3)(CNO)	N(CC[6a]CC)(COO)(NCH)	110.5170	0.000	1	110.5170	0.000	1	110.7743	1.473	12	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:N-3:	C(NCN)(OC)(O)	O(CC3)(CNO)	N(CC[6a]C[6]C)(COO)(NCC)	C(NCN)(OC)(O)	O(CC3)(CNO)	N(CC[6a]C[6]C)(COO)(NCC)	108.1150	0.000	1	108.1150	0.000	1	110.7743	1.473	12	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:N-3:	C(NCN)(OC)(O)	O(CCHH)(CNO)	N(CC[5a]C[5]H)(COO)(NCH)	C(NCN)(OC)(O)	O(CCHH)(CNO)	N(CC[5a]C[5]H)(COO)(NCH)	111.5600	0.000	1	111.5600	0.000	1	110.7743	1.473	12	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:N-3:	C(NCN)(OC)(O)	O(CCHH)(CNO)	N(CC[6a]CC)(COO)(NCH)	C(NCN)(OC)(O)	O(CCHH)(CNO)	N(CC[6a]CC)(COO)(NCH)	111.7060	0.000	1	111.7060	0.000	1	110.7743	1.473	12	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:N-3:	C(NCN)(OC)(O)	O(CC[6a]HH)(CNO)	N(CCCH)(COO)(NCH)	C(NCN)(OC)(O)	O(CC[6a]HH)(CNO)	N(CCCH)(COO)(NCH)	112.1265	0.325	2	112.1265	0.105	2	110.7743	1.473	12	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:N-3:	C(NCN)(OC)(O)	O(CH3)(CNO)	N(CC[6a]CH)(COO)(NCC)	C(NCN)(OC)(O)	O(CH3)(CNO)	N(CC[6a]CH)(COO)(NCC)	110.8890	0.990	2	110.8890	0.980	2	110.7743	1.473	12	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[3]-4:C-3:C-3:	C(NC[3]C)(OC)(O)	O(CC3)(CNO)	N(C[3]C[3]2C)(COO)2	C(NC[3]C)(OC)(O)	O(CC3)(CNO)	N(C[3]C[3]2C)(COO)2	109.9535	1.056	2	109.9535	1.115	2	109.9535	1.115	2	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:N-3:	C(NC[5]N)(OC)(O)	O(CC3)(CNO)	N(C[5]C[3,5]C[5]H)(COO)(NCH)	C(NC[5]N)(OC)(O)	O(CC3)(CNO)	N(C[5]C[3,5]C[5]H)(COO)(NCH)	110.9760	0.000	1	110.9760	0.000	1	110.9491	0.689	17	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:N-3:	C(NC[5]N)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,5]C[5]H)(COO)(NCH)	C(NC[5]N)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,5]C[5]H)(COO)(NCH)	110.5800	0.000	1	110.5800	0.000	1	110.9491	0.689	17	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:N-3:	C(NC[5]N)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6a]C[5]S)(COO)(NCH)	C(NC[5]N)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6a]C[5]S)(COO)(NCH)	112.4350	0.000	2	112.4350	0.000	2	110.9491	0.689	17	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:N-3:	C(NC[5]N)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5]2H)(COO)(NCH)	C(NC[5]N)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5]2H)(COO)(NCH)	110.5815	0.781	2	110.5815	0.611	2	110.9491	0.689	17	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:N-3:	C(NC[5]N)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5]N[5]C)(COO)(NCH)	C(NC[5]N)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5]N[5]C)(COO)(NCH)	109.6270	0.000	1	109.6270	0.000	1	110.9491	0.689	17	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:N-3:	C(NC[5]N)(OC)(O)	O(CC3)(CNO)	N(C[5]C[6a]C[5]N[5])(COO)(NCH)	C(NC[5]N)(OC)(O)	O(CC3)(CNO)	N(C[5]C[6a]C[5]N[5])(COO)(NCH)	110.8020	0.000	1	110.8020	0.000	1	110.9491	0.689	17	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:N-3:	C(NC[5]N)(OC)(O)	O(CCCH)(CNO)	N(C[5]C[5,6a]C[5]C)(COO)(NCH)	C(NC[5]N)(OC)(O)	O(CCCH)(CNO)	N(C[5]C[5,6a]C[5]C)(COO)(NCH)	110.5060	0.013	2	110.5060	0.000	2	110.9491	0.689	17	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:N-3:	C(NC[5]N)(OC)(O)	O(CCCH)(CNO)	N(C[5]C[5]2H)(COO)(NCH)	C(NC[5]N)(OC)(O)	O(CCCH)(CNO)	N(C[5]C[5]2H)(COO)(NCH)	111.0810	0.000	1	111.0810	0.000	1	110.9491	0.689	17	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:N-3:	C(NC[5]N)(OC)(O)	O(CCCH)(CNO)	N(C[5]C[5]O[5]H)(COO)(NCH)	C(NC[5]N)(OC)(O)	O(CCCH)(CNO)	N(C[5]C[5]O[5]H)(COO)(NCH)	111.0560	0.243	2	111.0560	0.059	2	110.9491	0.689	17	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:N-3:	C(NC[5]N)(OC)(O)	O(CCCH)(CNO)	N(C[5]C[5]S[5]H)(COO)(NCH)	C(NC[5]N)(OC)(O)	O(CCCH)(CNO)	N(C[5]C[5]S[5]H)(COO)(NCH)	110.0240	0.000	1	110.0240	0.000	1	110.9491	0.689	17	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:N-3:	C(NC[5]N)(OC)(O)	O(CCHH)(CNO)	N(C[5]C[5]2H)(COO)(NCH)	C(NC[5]N)(OC)(O)	O(CCHH)(CNO)	N(C[5]C[5]2H)(COO)(NCH)	111.2957	1.028	3	111.2957	1.057	3	110.9491	0.689	17	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C[6a]-3:C-3:	C(NC[6a]C[5])(OC)(O)	O(CH3)(CNO)	N(C[5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(COO)	C(NC[6a]C[5])(OC)(O)	O(CH3)(CNO)	N(C[5]C[5,6a]C[5]N[5])(C[6a]C[6a]2)(COO)	112.0540	0.000	1	112.0540	0.000	1	112.0540	0.000	1	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:C-3:	C(NC[6]C)(OC)(O)	O(CC3)(CNO)	N(C[6]C[6]2C)(CCO)(COO)	C(NC[6]C)(OC)(O)	O(CC3)(CNO)	N(C[6]C[6]2C)(CCO)(COO)	108.7820	0.000	1	108.7820	0.000	1	110.3190	1.844	3	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:C-3:	C(NC[6]C)(OC)(O)	O(CC3)(CNO)	N(C[6]C[6]2H)(COO)2	C(NC[6]C)(OC)(O)	O(CC3)(CNO)	N(C[6]C[6]2H)(COO)2	111.0875	0.380	2	111.0875	0.144	2	110.3190	1.844	3	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:N-3:	C(NC[6]N)(OC)(O)	O(CC3)(CNO)	N(C[6]C[6,6a]C[6]C)(COO)(NCH)	C(NC[6]N)(OC)(O)	O(CC3)(CNO)	N(C[6]C[6,6a]C[6]C)(COO)(NCH)	109.1170	1.093	2	109.1170	1.195	2	109.3310	0.735	3	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:N-3:	C(NC[6]N)(OC)(O)	O(CCCH)(CNO)	N(C[6]C[6]2C)(COO)(NCH)	C(NC[6]N)(OC)(O)	O(CCCH)(CNO)	N(C[6]C[6]2C)(COO)(NCH)	109.7590	0.000	1	109.7590	0.000	1	109.3310	0.735	3	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	P[4]-4:C-3:N-3:	C(NP[4]N)(OC)(O)	O(CCCH)(CNO)	N(P[4]N[4]2N)(COO)(NCH)	C(NP[4]N)(OC)(O)	O(CCCH)(CNO)	N(P[4]N[4]2N)(COO)(NCH)	109.6240	0.000	1	109.6240	0.000	1	110.9090	3.302	2	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	P[4]-4:C-3:N-3:	C(NP[4]N)(OC)(O)	O(CCHH)(CNO)	N(P[4]N[4]2N)(COO)(NCH)	C(NP[4]N)(OC)(O)	O(CCHH)(CNO)	N(P[4]N[4]2N)(COO)(NCH)	112.1940	0.000	1	112.1940	0.000	1	110.9090	3.302	2	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	S-4:C-3:N-3:	C(NNS)(OC)(O)	O(CCCH)(CNO)	N(SCOO)(COO)(NCH)	C(NNS)(OC)(O)	O(CCCH)(CNO)	N(SCOO)(COO)(NCH)	110.1230	0.000	1	110.1230	0.000	1	110.1230	0.000	1	110.7093	1.541	54	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:H-1:	B-4:C-3:	C-4:C-4:C-3:	C(NCC)(OB)(H)	O(BC[6a]3)(CHN)	N(CH3)2(CHO)	C(NCC)(OB)(H)	O(BC[6a]3)(CHN)	N(CH3)2(CHO)	122.7370	0.000	1	122.7370	0.000	1	122.7370	0.000	1	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:H-1:	C-4:C-3:	C-4:C-4:C-3:	C(NCC)(OC)(H)	O(CH3)(CHN)	N(CH3)2(CHO)	C(NCC)(OC)(H)	O(CH3)(CHN)	N(CH3)2(CHO)	119.5600	0.000	1	119.5600	0.000	1	119.5600	0.000	1	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	B-4:C-3:	C-4:C-4:C-3:	C(NCC)(OB)(O)	O(BC[6a]3)(CNO)	N(CC[6a]HH)(CC3)(COO)	C(NCC)(OB)(O)	O(BC[6a]3)(CNO)	N(CC[6a]HH)(CC3)(COO)	115.0040	0.953	2	115.0040	0.909	2	115.0040	0.909	2	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CCCH)(CH3)(COO)	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CCCH)(CH3)(COO)	111.0010	0.177	4	111.0010	0.031	4	111.3473	0.490	42	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CCHH)(CC3)(COO)	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CCHH)(CC3)(COO)	112.4730	0.000	1	112.4730	0.000	1	111.3473	0.490	42	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CCHH)(CH3)(COO)	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CCHH)(CH3)(COO)	111.3053	0.383	3	111.3053	0.147	3	111.3473	0.490	42	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CCHH)2(COO)	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CCHH)2(COO)	110.8005	0.613	8	110.8005	0.376	8	111.3473	0.490	42	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CC[5,5]HH)(CCHH)(COO)	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CC[5,5]HH)(CCHH)(COO)	110.4720	0.000	1	110.4720	0.000	1	111.3473	0.490	42	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CC[5]CH)(CCHH)(COO)	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CC[5]CH)(CCHH)(COO)	111.2580	1.091	3	111.2580	1.191	3	111.3473	0.490	42	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CC[5]HH)(CCHH)(COO)	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CC[5]HH)(CCHH)(COO)	111.1750	0.509	2	111.1750	0.259	2	111.3473	0.490	42	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CC[6]HH)(CCHH)(COO)	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CC[6]HH)(CCHH)(COO)	111.2200	0.000	1	111.2200	0.000	1	111.3473	0.490	42	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CC[6a]CH)(CCHH)(COO)	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CC[6a]CH)(CCHH)(COO)	111.2990	0.000	1	111.2990	0.000	1	111.3473	0.490	42	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CC[6a]HH)(CCCH)(COO)	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CC[6a]HH)(CCCH)(COO)	111.8950	0.000	1	111.8950	0.000	1	111.3473	0.490	42	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CC[6a]HH)(CC[6]HH)(COO)	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CC[6a]HH)(CC[6]HH)(COO)	110.6625	0.162	2	110.6625	0.026	2	111.3473	0.490	42	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CH3)2(COO)	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CH3)2(COO)	112.5310	0.529	2	112.5310	0.280	2	111.3473	0.490	42	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CCCH)(CNO)	N(CCHH)2(COO)	C(NCC)(OC)(O)	O(CCCH)(CNO)	N(CCHH)2(COO)	111.4787	0.415	6	111.4787	0.172	6	111.3473	0.490	42	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CCHH)(CNO)	N(CSeHH)2(COO)	C(NCC)(OC)(O)	O(CCHH)(CNO)	N(CSeHH)2(COO)	111.0670	0.000	1	111.0670	0.000	1	111.3473	0.490	42	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CC[5]HH)(CNO)	N(CCCH)(CH3)(COO)	C(NCC)(OC)(O)	O(CC[5]HH)(CNO)	N(CCCH)(CH3)(COO)	112.1740	0.000	1	112.1740	0.000	1	111.3473	0.490	42	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CC[6a]HH)(CNO)	N(CCHH)2(COO)	C(NCC)(OC)(O)	O(CC[6a]HH)(CNO)	N(CCHH)2(COO)	112.1090	0.880	2	112.1090	0.774	2	111.3473	0.490	42	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CC[6a]HH)(CNO)	N(CSeHH)2(COO)	C(NCC)(OC)(O)	O(CC[6a]HH)(CNO)	N(CSeHH)2(COO)	111.9505	0.176	2	111.9505	0.031	2	111.3473	0.490	42	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-4:C-3:	C(NCC)(OC)(O)	O(CSiCH)(CNO)	N(CCCH)2(COO)	C(NCC)(OC)(O)	O(CSiCH)(CNO)	N(CCCH)2(COO)	112.1610	0.000	1	112.1610	0.000	1	111.3473	0.490	42	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:P-4:C-3:	C(NCP)(OC)(O)	O(CC3)(CNO)	N(CC[6a]CH)(PCOO)(COO)	C(NCP)(OC)(O)	O(CC3)(CNO)	N(CC[6a]CH)(PCOO)(COO)	109.9670	0.000	1	109.9670	0.000	1	109.7285	0.114	2	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:P-4:C-3:	C(NCP)(OC)(O)	O(CC3)(CNO)	N(CC[6a]CH)(PC[6a]2O)(COO)	C(NCP)(OC)(O)	O(CC3)(CNO)	N(CC[6a]CH)(PC[6a]2O)(COO)	109.4900	0.000	1	109.4900	0.000	1	109.7285	0.114	2	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:S-4:C-3:	C(NCS)(OC)(O)	O(CC3)(CNO)	N(CCHH)(SNOO)(COO)	C(NCS)(OC)(O)	O(CC3)(CNO)	N(CCHH)(SNOO)(COO)	109.9260	0.000	1	109.9260	0.000	1	110.4666	1.679	5	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:S-4:C-3:	C(NCS)(OC)(O)	O(CC3)(CNO)	N(CC[5,6]HH)(SCOO)(COO)	C(NCS)(OC)(O)	O(CC3)(CNO)	N(CC[5,6]HH)(SCOO)(COO)	109.7320	0.000	1	109.7320	0.000	1	110.4666	1.679	5	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:S-4:C-3:	C(NCS)(OC)(O)	O(CC3)(CNO)	N(CC[5a]HH)(SC[6a]OO)(COO)	C(NCS)(OC)(O)	O(CC3)(CNO)	N(CC[5a]HH)(SC[6a]OO)(COO)	111.1940	0.000	1	111.1940	0.000	1	110.4666	1.679	5	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:S-4:C-3:	C(NCS)(OC)(O)	O(CC3)(CNO)	N(CC[6a]2H)(SC[6a]OO)(COO)	C(NCS)(OC)(O)	O(CC3)(CNO)	N(CC[6a]2H)(SC[6a]OO)(COO)	112.3540	0.000	1	112.3540	0.000	1	110.4666	1.679	5	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:S-4:C-3:	C(NCS)(OC)(O)	O(CC3)(CNO)	N(CC[6a]HH)(SC[5a]OO)(COO)	C(NCS)(OC)(O)	O(CC3)(CNO)	N(CC[6a]HH)(SC[5a]OO)(COO)	109.1270	0.000	1	109.1270	0.000	1	110.4666	1.679	5	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	C-4:C-3:	C[3]-4:C-4:C-3:	C(NC[3]C)(OC)(O)	O(CC3)(CNO)	N(C[3]C[3]2H)(CCHH)(COO)	C(NC[3]C)(OC)(O)	O(CC3)(CNO)	N(C[3]C[3]2H)(CCHH)(COO)	111.4425	0.967	4	111.4425	0.935	4	111.4425	0.935	4	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-4:C-3:	C(NC[5]C)(OC)(O)	O(CCHH)(CNO)	N(C[5]C[5,6a]C[6a]C[5])(CH3)(COO)	C(NC[5]C)(OC)(O)	O(CCHH)(CNO)	N(C[5]C[5,6a]C[6a]C[5])(CH3)(COO)	112.8290	0.000	1	112.8290	0.000	1	111.8300	3.785	3	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-4:C-3:	C(NC[5]C)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[5]C[5]O[5]C)(CCHH)(COO)	C(NC[5]C)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[5]C[5]O[5]C)(CCHH)(COO)	109.5880	0.000	1	109.5880	0.000	1	111.8300	3.785	3	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-4:C-3:	C(NC[5]C)(OC)(O)	O(CH3)(CNO)	N(C[5]C[5]2H)(CH3)(COO)	C(NC[5]C)(OC)(O)	O(CH3)(CNO)	N(C[5]C[5]2H)(CH3)(COO)	113.0730	0.000	1	113.0730	0.000	1	111.8300	3.785	3	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-4:C-3:	C(NC[6]C)(OC)(O)	O(CC3)(CNO)	N(C[6]C[6]2C)(CH3)(COO)	C(NC[6]C)(OC)(O)	O(CC3)(CNO)	N(C[6]C[6]2C)(CH3)(COO)	111.7980	0.000	1	111.7980	0.000	1	111.2173	0.253	3	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-4:C-3:	C(NC[6]C)(OC)(O)	O(CC3)(CNO)	N(C[6]C[6]2H)(CC[5a]HH)(COO)	C(NC[6]C)(OC)(O)	O(CC3)(CNO)	N(C[6]C[6]2H)(CC[5a]HH)(COO)	110.9140	0.000	1	110.9140	0.000	1	111.2173	0.253	3	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-4:C-3:	C(NC[6]C)(OC)(O)	O(CC3)(CNO)	N(C[6]C[6]2H)(CH3)(COO)	C(NC[6]C)(OC)(O)	O(CC3)(CNO)	N(C[6]C[6]2H)(CH3)(COO)	110.9400	0.000	1	110.9400	0.000	1	111.2173	0.253	3	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	C-4:C-3:	C[6]-4:P-4:C-3:	C(NC[6]P)(OC)(O)	O(CC3)(CNO)	N(C[6]C[6,6a]C[6]H)(PCOO)(COO)	C(NC[6]P)(OC)(O)	O(CC3)(CNO)	N(C[6]C[6,6a]C[6]H)(PCOO)(COO)	110.3205	0.540	2	110.3205	0.291	2	110.3205	0.291	2	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:S-1:	C-4:C-3:	C-4:C-4:C-3:	C(NCC)(OC)(S)	O(CCHH)(CNS)	N(CH3)2(COS)	C(NCC)(OC)(S)	O(CCHH)(CNS)	N(CH3)2(COS)	110.8830	0.690	2	110.8830	0.476	2	110.6367	0.420	3	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:S-1:	C-4:C-3:	C-4:C-4:C-3:	C(NCC)(OC)(S)	O(CC[6a]HH)(CNS)	N(CH3)2(COS)	C(NCC)(OC)(S)	O(CC[6a]HH)(CNS)	N(CH3)2(COS)	110.1440	0.000	1	110.1440	0.000	1	110.6367	0.420	3	111.5904	4.079	68	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:1:	5:3:	4:4:3:	N-3:O-2:H-1:	In-5:C-3:	C-4:C-4:C-3:	C(NCC)(OIn)(H)	O(InCl3N)(CHN)	N(CH3)2(CHO)	C(NCC)(OIn)(H)	O(InCl3N)(CHN)	N(CH3)2(CHO)	123.9250	0.000	1	123.9250	0.000	1	123.9250	0.000	1	123.9250	0.000	1	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:2:	3:1:	3:3:3:	N-3:N-2:O-2:	C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(NC[6a])(OH)	O(CNN)(H)	N(C[6a]C[6a]2)2(CNO)	C(NC[6a]2)(NC[6a])(OH)	O(CNN)(H)	N(C[6a]C[6a]2)2(CNO)	128.6800	0.000	1	128.6800	0.000	1	128.6800	0.000	1	128.6800	0.000	1	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:2:	3:1:	4:4:3:	N-3:O-2:O-2:	C-3:H-1:	C-4:C-4:C-3:	C(NCC)(OH)(OP)	O(CNO)(H)	N(CCCH)2(COO)	C(NCC)(OH)(OP)	O(CNO)(H)	N(CCCH)2(COO)	126.5735	0.916	2	126.5735	0.839	2	126.5735	0.839	2	126.5735	0.839	2	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:2:	3:3:	3:3:1:	N-3:O-2:N-2:	C[6a]-3:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(OC[6a])(NC)	O(C[6a]C[6a]2)(CNN)	N(C[6a]N[5a,6a]C[5,6a])(CNO)(H)	C(NC[6a]H)(OC[6a])(NC)	O(C[6a]C[6a]2)(CNN)	N(C[6a]N[5a,6a]C[5,6a])(CNO)(H)	109.8920	0.000	1	109.8920	0.000	1	109.8920	0.000	1	109.8920	0.000	1	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:2:	3:3:	4:4:3:	N-3:C-2:O-2:	C-3:C-3:	C-4:S-4:C-3:	C(NCS)(CC)(OC)	O(CCN)(COO)	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(NCS)(CC)(OC)	O(CCN)(COO)	N(CC[6a]HH)(SC[6a]OO)(CCO)	110.2610	0.000	1	110.2610	0.000	1	110.2610	0.000	1	110.2610	0.000	1	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:2:	4:3:	3:3:1:	N-3:N-2:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(NCH)(NC)(OC)	O(CH3)(CNN)	N(CCH)(CNO)(H)	C(NCH)(NC)(OC)	O(CH3)(CNN)	N(CCH)(CNO)(H)	110.2740	0.000	1	110.2740	0.000	1	110.2740	0.000	1	112.5392	3.742	5	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:2:	4:3:	3:3:1:	N-3:O-2:O-2:	C-4:C-3:	N-3:C-3:H-1:	C(NHN)(OCo)(OC)	O(CCHH)(CNO)	N(NCoC)(COO)(H)	C(NHN)(OCo)(OC)	O(CCHH)(CNO)	N(NCoC)(COO)(H)	110.6410	0.000	1	110.6410	0.000	1	110.6410	0.000	1	112.5392	3.742	5	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:2:	4:3:	3:3:1:	N-3:S-2:O-2:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(SCu)(OC)	O(CCCH)(CNS)	N(C[6a]C[6a]2)(COS)(H)	C(NC[6a]H)(SCu)(OC)	O(CCCH)(CNS)	N(C[6a]C[6a]2)(COS)(H)	113.5210	0.000	1	113.5210	0.000	1	113.9270	0.228	3	112.5392	3.742	5	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:2:	4:3:	3:3:1:	N-3:S-2:O-2:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(SCu)(OC)	O(CCHH)(CNS)	N(C[6a]C[6a]2)(COS)(H)	C(NC[6a]H)(SCu)(OC)	O(CCHH)(CNS)	N(C[6a]C[6a]2)(COS)(H)	113.8070	0.000	1	113.8070	0.000	1	113.9270	0.228	3	112.5392	3.742	5	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:2:	4:3:	3:3:1:	N-3:S-2:O-2:	C-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(SCu)(OC)	O(CH3)(CNS)	N(C[6a]C[6a]2)(COS)(H)	C(NC[6a]H)(SCu)(OC)	O(CH3)(CNS)	N(C[6a]C[6a]2)(COS)(H)	114.4530	0.000	1	114.4530	0.000	1	113.9270	0.228	3	112.5392	3.742	5	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:2:	4:3:	3:4:3:	N-3:O-2:O-2:	B-4:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(OSi)(OB)	O(BC[6a]3)(CNO)	N(C[6a]C[6a]2)(CCCH)(COO)	C(NC[6a]C)(OSi)(OB)	O(BC[6a]3)(CNO)	N(C[6a]C[6a]2)(CCCH)(COO)	118.0650	0.000	1	118.0650	0.000	1	118.0650	0.000	1	119.6610	5.094	2	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:2:	4:3:	3:4:3:	N-3:O-2:O-2:	Si-4:C-3:	C[6a]-3:C-4:C-3:	C(NC[6a]C)(OSi)(OB)	O(SiC3)(CNO)	N(C[6a]C[6a]2)(CCCH)(COO)	C(NC[6a]C)(OSi)(OB)	O(SiC3)(CNO)	N(C[6a]C[6a]2)(CCCH)(COO)	121.2570	0.000	1	121.2570	0.000	1	121.2570	0.000	1	119.6610	5.094	2	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:2:	4:3:	4:3:1:	N-3:O-2:O-2:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OCa)(OC)	O(CC[6a]HH)(CNO)	N(CCHH)(COO)(H)	C(NCH)(OCa)(OC)	O(CC[6a]HH)(CNO)	N(CCHH)(COO)(H)	112.7030	0.000	1	112.7030	0.000	1	112.7030	0.000	1	112.1731	0.521	9	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:2:	4:3:	4:3:1:	N-3:O-2:O-2:	C-4:C-3:	N-4:C-3:H-1:	C(NHN)(OFe)(OC)	O(CH3)(CNO)	N(NFeHH)(COO)(H)	C(NHN)(OFe)(OC)	O(CH3)(CNO)	N(NFeHH)(COO)(H)	113.1090	0.000	1	113.1090	0.000	1	112.1069	0.551	8	112.1731	0.521	9	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:2:	4:3:	4:3:1:	N-3:O-2:O-2:	C-4:C-3:	N-4:C-3:H-1:	C(NHN)(OMn)(OC)	O(CH3)(CNO)	N(NMnHH)(COO)(H)	C(NHN)(OMn)(OC)	O(CH3)(CNO)	N(NMnHH)(COO)(H)	113.0160	0.000	1	113.0160	0.000	1	112.1069	0.551	8	112.1731	0.521	9	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:2:	4:3:	4:3:1:	N-3:O-2:O-2:	C-4:C-3:	N-4:C-3:H-1:	C(NHN)(ONi)(OC)	O(CCHH)(CNO)	N(NNiHH)(COO)(H)	C(NHN)(ONi)(OC)	O(CCHH)(CNO)	N(NNiHH)(COO)(H)	111.7883	0.532	6	111.7883	0.283	6	112.1069	0.551	8	112.1731	0.521	9	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:2:	4:3:	4:4:3:	N-3:C-2:O-2:	C-4:C-3:	C-4:C-4:C-3:	C(NCC)(CC)(OC)	O(CCHH)(CCN)	N(CH3)2(CCO)	C(NCC)(CC)(OC)	O(CCHH)(CCN)	N(CH3)2(CCO)	116.6560	0.000	1	116.6560	0.000	1	116.4005	0.131	2	115.2870	1.645	6	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:2:	4:3:	4:4:3:	N-3:C-2:O-2:	C-4:C-3:	C-4:C-4:C-3:	C(NCC)(CC)(OC)	O(CH3)(CCN)	N(CH3)2(CCO)	C(NCC)(CC)(OC)	O(CH3)(CCN)	N(CH3)2(CCO)	116.1450	0.000	1	116.1450	0.000	1	116.4005	0.131	2	115.2870	1.645	6	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:2:	4:3:	4:4:3:	N-3:O-2:N-2:	Si-4:C-3:	C-4:C-4:C-3:	C(NCC)(OSi)(NN)	O(SiC[6a]2O)(CNN)	N(CH3)2(CNO)	C(NCC)(OSi)(NN)	O(SiC[6a]2O)(CNN)	N(CH3)2(CNO)	115.7425	0.158	2	115.7425	0.025	2	115.7425	0.025	2	115.2870	1.645	6	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:2:2:	4:3:	4:4:3:	N-3:O-2:O-2:	P-4:C-3:	C-4:C-4:C-3:	C(NCC)(OH)(OP)	O(PCHW)(CNO)	N(CCCH)2(COO)	C(NCC)(OH)(OP)	O(PCHW)(CNO)	N(CCCH)2(COO)	113.7180	0.503	2	113.7180	0.253	2	113.7180	0.253	2	115.2870	1.645	6	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:3:2:	3:1:	3:1:1:	C[6]-3:N-3:O-2:	C-3:H-1:	C-3:H-1:H-1:	C(C[6]C[6]2)(NHH)(OH)	O(CC[6]N)(H)	N(CC[6]O)(H)2	C(C[6]C[6]2)(NHH)(OH)	O(CC[6]N)(H)	N(CC[6]O)(H)2	118.3860	0.000	3	118.3860	0.000	3	118.3860	0.000	3	120.1235	3.070	39	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:3:2:	3:1:	3:1:1:	C[6a]-3:N-3:O-2:	C-3:H-1:	C-3:H-1:H-1:	C(C[6a]C[6a]2)(NHH)(OH)	O(CC[6a]N)(H)	N(CC[6a]O)(H)2	C(C[6a]C[6a]2)(NHH)(OH)	O(CC[6a]N)(H)	N(CC[6a]O)(H)2	120.6897	0.367	6	120.6897	0.135	6	120.6897	0.135	6	120.1235	3.070	39	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:3:2:	3:1:	3:1:1:	N-3:N-3:O-2:	C-3:H-1:	C-3:H-1:H-1:	C(NCC)(NHH)(OH)	O(CNN)(H)	N(CNO)(H)2	C(NCC)(NHH)(OH)	O(CNN)(H)	N(CNO)(H)2	121.3560	0.000	1	121.3560	0.000	1	120.1840	3.617	30	120.1235	3.070	39	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:3:2:	3:1:	3:1:1:	N-3:N-3:O-2:	C-3:H-1:	C-3:H-1:H-1:	C(NC[6a]2)(NHH)(OH)	O(CNN)(H)	N(CNO)(H)2	C(NC[6a]2)(NHH)(OH)	O(CNN)(H)	N(CNO)(H)2	121.1505	0.691	11	121.1505	0.477	11	120.1840	3.617	30	120.1235	3.070	39	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:3:2:	3:1:	3:1:1:	N-3:N-3:O-2:	C-3:H-1:	C-3:H-1:H-1:	C(NHH)2(OH)	O(CNN)(H)	N(CNO)(H)2	C(NHH)2(OH)	O(CNN)(H)	N(CNO)(H)2	119.5283	2.179	18	119.5283	4.749	18	120.1840	3.617	30	120.1235	3.070	39	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:3:2:	3:1:	3:3:1:	C[5]-3:N-3:O-2:	C-3:H-1:	C[6a]-3:C-3:H-1:	C(C[5]C[5]2)(NC[6a]H)(OH)	O(CC[5]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	C(C[5]C[5]2)(NC[6a]H)(OH)	O(CC[5]N)(H)	N(C[6a]C[6a]2)(CC[5]O)(H)	117.1955	0.878	2	117.1955	0.770	2	117.1955	0.770	2	117.7055	3.371	8	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:3:2:	3:1:	3:3:1:	N-3:C-3:O-2:	C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCC)(OH)	O(CCN)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCC)(OH)	O(CCN)(H)	N(C[6a]C[6a]2)(CCO)(H)	117.9940	0.332	3	117.9940	0.110	3	117.1675	2.806	4	117.7055	3.371	8	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:3:2:	3:1:	3:3:1:	N-3:C-3:O-2:	C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CCP)(OH)	O(CCN)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CCP)(OH)	O(CCN)(H)	N(C[6a]C[6a]2)(CCO)(H)	114.6880	0.000	1	114.6880	0.000	1	117.1675	2.806	4	117.7055	3.371	8	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:3:2:	3:1:	3:3:1:	N-3:N-3:O-2:	C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)2(OH)	O(CNN)(H)	N(C[6a]C[6a]2)(CNO)(H)	C(NC[6a]H)2(OH)	O(CNN)(H)	N(C[6a]C[6a]2)(CNO)(H)	119.2915	2.775	2	119.2915	7.703	2	119.2915	7.703	2	117.7055	3.371	8	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:3:2:	3:1:	3:3:3:	N-3:N-3:O-2:	C-3:H-1:	C[6a]-3:C[6a]-3:C-3:	C(NC[6a]2)(NHH)(OH)	O(CNN)(H)	N(C[6a]C[6a]2)2(CNO)	C(NC[6a]2)(NHH)(OH)	O(CNN)(H)	N(C[6a]C[6a]2)2(CNO)	116.6798	0.442	11	116.6798	0.196	11	116.6798	0.196	11	116.6798	0.196	11	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:3:2:	3:1:	4:3:1:	C-3:N-3:O-2:	C-3:H-1:	C-4:C-3:H-1:	C(CCC)(NCH)(OH)	O(CCN)(H)	N(CCCH)(CCO)(H)	C(CCC)(NCH)(OH)	O(CCN)(H)	N(CCCH)(CCO)(H)	117.2045	1.695	2	117.2045	2.873	2	116.0533	1.288	8	117.1411	8.625	11	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:3:2:	3:1:	4:3:1:	C-3:N-3:O-2:	C-3:H-1:	C-4:C-3:H-1:	C(CCC)(NCH)(OH)	O(CCN)(H)	N(CH3)(CCO)(H)	C(CCC)(NCH)(OH)	O(CCN)(H)	N(CH3)(CCO)(H)	115.8184	0.697	5	115.8184	0.485	5	116.0533	1.288	8	117.1411	8.625	11	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:3:2:	3:1:	4:3:1:	C-3:N-3:O-2:	C-3:H-1:	C-4:C-3:H-1:	C(CCP)(NCH)(OH)	O(CCN)(H)	N(CCCH)(CCO)(H)	C(CCP)(NCH)(OH)	O(CCN)(H)	N(CCCH)(CCO)(H)	114.9250	0.000	1	114.9250	0.000	1	116.0533	1.288	8	117.1411	8.625	11	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:3:2:	3:1:	4:3:1:	C[5]-3:N-3:O-2:	C-3:H-1:	C-4:C-3:H-1:	C(C[5]C[5]2)(NCH)(OH)	O(CC[5]N)(H)	N(CC[6a]CH)(CC[5]O)(H)	C(C[5]C[5]2)(NCH)(OH)	O(CC[5]N)(H)	N(CC[6a]CH)(CC[5]O)(H)	117.1690	0.000	1	117.1690	0.000	1	117.1690	0.000	1	117.1411	8.625	11	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:3:2:	3:1:	4:3:1:	N-3:C-3:O-2:	C-3:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCH)(OH)	O(CCN)(H)	N(C[6]C[6,6a]2H)(CCO)(H)	C(NC[6]H)(CCH)(OH)	O(CCN)(H)	N(C[6]C[6,6a]2H)(CCO)(H)	121.4785	5.491	2	121.4785	30.148	2	121.4785	30.148	2	117.1411	8.625	11	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:3:2:	3:1:	4:4:3:	C-3:N-3:O-2:	C-3:H-1:	C-4:C-4:C-3:	C(CCC)(NCC)(OH)	O(CCN)(H)	N(CH3)2(CCO)	C(CCC)(NCC)(OH)	O(CCN)(H)	N(CH3)2(CCO)	115.1414	0.580	14	115.1414	0.337	14	115.1414	0.337	14	114.5757	9.464	16	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:3:2:	3:1:	4:4:3:	N-3:N-3:O-2:	C-3:H-1:	C-4:C-4:C-3:	C(NCC)(NHH)(OH)	O(CNN)(H)	N(CH3)2(CNO)	C(NCC)(NHH)(OH)	O(CNN)(H)	N(CH3)2(CNO)	117.7490	0.000	1	117.7490	0.000	1	110.6165	101.745	2	114.5757	9.464	16	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:3:2:	3:1:	4:4:3:	N-3:N-3:O-2:	C-3:H-1:	C-4:C-4:C-3:	C(NPtH)(NCC)(OH)	O(CNN)(H)	N(CH3)2(CNO)	C(NPtH)(NCC)(OH)	O(CNN)(H)	N(CH3)2(CNO)	103.4840	0.000	1	103.4840	0.000	1	110.6165	101.745	2	114.5757	9.464	16	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:3:2:	3:2:	3:1:1:	N-3:N-3:O-2:	C-3:N-2:	C-3:H-1:H-1:	C(NCC)(NHH)(ON)	O(CNN)(NC)	N(CNO)(H)2	C(NCC)(NHH)(ON)	O(CNN)(NC)	N(CNO)(H)2	120.8973	1.221	3	120.8973	1.492	3	120.8973	1.492	3	120.8973	1.492	3	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:3:2:	3:2:	3:4:3:	N-3:N-3:O-2:	C-3:P-2:	C[6a]-3:C-4:C-3:	C(NC[6a]C)2(OP)	O(CNN)(PN)	N(C[6a]C[6a]2)(CH3)(CNO)	C(NC[6a]C)2(OP)	O(CNN)(PN)	N(C[6a]C[6a]2)(CH3)(CNO)	118.5260	2.783	2	118.5260	7.746	2	118.5260	7.746	2	118.5260	7.746	2	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:3:2:	3:2:	4:4:3:	N-3:N-3:O-2:	C-3:N-2:	C-4:C-4:C-3:	C(NCC)(NHH)(ON)	O(CNN)(NC)	N(CH3)2(CNO)	C(NCC)(NHH)(ON)	O(CNN)(NC)	N(CH3)2(CNO)	115.1010	1.683	3	115.1010	2.833	3	115.1010	2.833	3	115.1010	2.833	3	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:3:2:	3:3:	4:4:3:	C-3:N-3:O-2:	C-3:C-3:	C-4:S-4:C-3:	C(CC[6a]H)(NCS)(OC)	O(CCN)(CNO)	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(CC[6a]H)(NCS)(OC)	O(CCN)(CNO)	N(CC[6a]HH)(SC[6a]OO)(CCO)	116.9120	0.000	1	116.9120	0.000	1	116.9120	0.000	1	113.0690	4.900	17	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:3:2:	3:3:	4:4:3:	C-3:N-3:O-2:	C-3:C-3:	S-4:C-4:C-3:	C(CC[6a]H)(NCS)(OC)	O(CCN)(CNO)	N(SC[6a]OO)(CH3)(CCO)	C(CC[6a]H)(NCS)(OC)	O(CCN)(CNO)	N(SC[6a]OO)(CH3)(CCO)	114.6470	0.000	1	114.6470	0.000	1	114.6470	0.000	1	113.0690	4.900	17	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:3:2:	3:3:	4:4:3:	N-3:N-3:O-2:	C-3:C-3:	C-4:C-4:C-3:	C(NPtH)(NCC)(OC)	O(CNN)2	N(CH3)2(CNO)	C(NPtH)(NCC)(OC)	O(CNN)2	N(CH3)2(CNO)	110.8277	1.027	6	110.8277	1.055	6	110.8277	1.055	6	113.0690	4.900	17	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:3:2:	3:3:	4:4:3:	N-3:N-3:O-2:	N-3:C-3:	C-4:C-4:C-3:	C(NPtH)(NCC)(ON)	O(NPtC)(CNN)	N(CH3)2(CNO)	C(NPtH)(NCC)(ON)	O(NPtC)(CNN)	N(CH3)2(CNO)	114.4487	1.355	7	114.4487	1.835	7	113.9609	2.320	9	113.0690	4.900	17	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:3:2:	3:3:	4:4:3:	N-3:N-3:O-2:	N-3:C-3:	C-4:C-4:C-3:	C(NZnH)(NCC)(ON)	O(NZnC)(CNN)	N(CH3)2(CNO)	C(NZnH)(NCC)(ON)	O(NZnC)(CNN)	N(CH3)2(CNO)	112.2535	0.234	2	112.2535	0.055	2	113.9609	2.320	9	113.0690	4.900	17	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:3:2:	3:4:	3:3:1:	C[6]-3:N-3:O-2:	C-3:C-4:	C[6a]-3:C-3:H-1:	C(C[6]C[6]2)(NC[6a]H)(OC)	O(CC[6]N)(CH3)	N(C[6a]C[6a]2)(CC[6]O)(H)	C(C[6]C[6]2)(NC[6a]H)(OC)	O(CC[6]N)(CH3)	N(C[6a]C[6a]2)(CC[6]O)(H)	113.9160	0.000	1	113.9160	0.000	1	113.9160	0.000	1	113.9160	0.000	1	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:3:2:	4:3:	3:3:1:	N-3:N-3:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(NC[6a]Cu)(NCH)(OC)	O(CH3)(CNN)	N(CC[6a]O)(CNO)(H)	C(NC[6a]Cu)(NCH)(OC)	O(CH3)(CNN)	N(CC[6a]O)(CNO)(H)	116.2330	0.000	1	116.2330	0.000	1	109.1732	3.285	18	109.1732	3.285	18	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:3:2:	4:3:	3:3:1:	N-3:N-3:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(NCuH)(NCH)(OC)	O(CCHH)(CNN)	N(CNN)(CNO)(H)	C(NCuH)(NCH)(OC)	O(CCHH)(CNN)	N(CNN)(CNO)(H)	108.6951	0.327	10	108.6951	0.107	10	109.1732	3.285	18	109.1732	3.285	18	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:3:2:	4:3:	3:3:1:	N-3:N-3:O-2:	C-4:C-3:	C-3:C-3:H-1:	C(NCuH)(NCH)(OC)	O(CH3)(CNN)	N(CNN)(CNO)(H)	C(NCuH)(NCH)(OC)	O(CH3)(CNN)	N(CNN)(CNO)(H)	108.8477	0.579	7	108.8477	0.336	7	109.1732	3.285	18	109.1732	3.285	18	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:3:2:	4:3:	3:4:3:	C-3:N-3:O-2:	B-4:C-3:	C[6a]-3:B-4:C-3:	C(CC[6a]C)(NC[6a]B)(OB)	O(BC[6a]CN)(CCN)	N(C[6a]C[6a]2)(BC[6a]CO)(CCO)	C(CC[6a]C)(NC[6a]B)(OB)	O(BC[6a]CN)(CCN)	N(C[6a]C[6a]2)(BC[6a]CO)(CCO)	118.2940	0.000	1	118.2940	0.000	1	118.2940	0.000	1	119.7890	4.470	2	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:3:2:	4:3:	3:4:3:	C[6a]-3:N-3:O-2:	Ga-4:C-3:	C[6a]-3:Ga-4:C-3:	C(C[6a]C[6a]2)(NC[6a]Ga)(OGa)	O(GaC[6a]2N)(CC[6a]N)	N(C[6a]C[6a]2)(GaC[6a]2O)(CC[6a]O)	C(C[6a]C[6a]2)(NC[6a]Ga)(OGa)	O(GaC[6a]2N)(CC[6a]N)	N(C[6a]C[6a]2)(GaC[6a]2O)(CC[6a]O)	121.2840	0.000	1	121.2840	0.000	1	121.2840	0.000	1	119.7890	4.470	2	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:3:2:	4:3:	4:4:3:	C-3:N-3:O-2:	C-4:C-3:	C-4:C-4:C-3:	C(CCrC)(NCC)(OC)	O(CCHH)(CCN)	N(CH3)2(CCO)	C(CCrC)(NCC)(OC)	O(CCHH)(CCN)	N(CH3)2(CCO)	113.0820	0.000	1	113.0820	0.000	1	114.2440	1.015	3	114.2440	1.015	3	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:3:2:	4:3:	4:4:3:	C-3:N-3:O-2:	C-4:C-3:	C-4:C-4:C-3:	C(CGaP)(NCC)(OC)	O(CCHH)(CCN)	N(CH3)2(CCO)	C(CGaP)(NCC)(OC)	O(CCHH)(CCN)	N(CH3)2(CCO)	114.8250	0.061	2	114.8250	0.004	2	114.2440	1.015	3	114.2440	1.015	3	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:4:2:	3:1:	3:3:1:	N-3:C-4:O-2:	C-3:H-1:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CH3)(OH)	O(CCN)(H)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CH3)(OH)	O(CCN)(H)	N(C[6a]C[6a]2)(CCO)(H)	120.4073	0.963	4	120.4073	0.928	4	120.4073	0.928	4	120.4073	0.928	4	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:4:2:	3:1:	4:3:1:	N-3:C-4:O-2:	C-3:H-1:	C[3x6]-4:C-3:H-1:	C(NC[3x6]H)(CH3)(OH)	O(CCN)(H)	N(C[3x6]C[6,6]3)(CCO)(H)	C(NC[3x6]H)(CH3)(OH)	O(CCN)(H)	N(C[3x6]C[6,6]3)(CCO)(H)	119.6830	0.000	1	119.6830	0.000	1	119.6830	0.000	1	118.5675	0.719	4	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:4:2:	3:1:	4:3:1:	N-3:C-4:O-2:	C-3:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CCHH)(OH)	O(CCN)(H)	N(C[6]C[6,6a]2H)(CCO)(H)	C(NC[6]H)(CCHH)(OH)	O(CCN)(H)	N(C[6]C[6,6a]2H)(CCO)(H)	117.9535	0.384	2	117.9535	0.147	2	118.1957	0.250	3	118.5675	0.719	4	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:4:2:	3:1:	4:3:1:	N-3:C-4:O-2:	C-3:H-1:	C[6]-4:C-3:H-1:	C(NC[6]H)(CH3)(OH)	O(CCN)(H)	N(C[6]C[6,6a]2H)(CCO)(H)	C(NC[6]H)(CH3)(OH)	O(CCN)(H)	N(C[6]C[6,6a]2H)(CCO)(H)	118.6800	0.000	1	118.6800	0.000	1	118.1957	0.250	3	118.5675	0.719	4	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:4:2:	3:2:	6:3:1:	N-3:C-4:O-2:	C-3:N-2:	B[5x3,4,9x5,6,6]-6:C-3:H-1:	C(NB[5x3,4,9x5,6,6]H)(CCCH)(ON)	O(CCN)(NC)	N(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(CCO)(H)	C(NB[5x3,4,9x5,6,6]H)(CCCH)(ON)	O(CCN)(NC)	N(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(CCO)(H)	121.4200	0.000	1	121.4200	0.000	1	121.9275	0.189	6	121.9275	0.189	6	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:4:2:	3:2:	6:3:1:	N-3:C-4:O-2:	C-3:N-2:	B[5x3,4,9x5,6,6]-6:C-3:H-1:	C(NB[5x3,4,9x5,6,6]H)(CCHH)(ON)	O(CCN)(NC)	N(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(CCO)(H)	C(NB[5x3,4,9x5,6,6]H)(CCHH)(ON)	O(CCN)(NC)	N(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(CCO)(H)	122.1095	0.410	4	122.1095	0.168	4	121.9275	0.189	6	121.9275	0.189	6	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:4:2:	3:2:	6:3:1:	N-3:C-4:O-2:	C-3:N-2:	B[5x3,4,9x5,6,6]-6:C-3:H-1:	C(NB[5x3,4,9x5,6,6]H)(CH3)(ON)	O(CCN)(NC)	N(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(CCO)(H)	C(NB[5x3,4,9x5,6,6]H)(CH3)(ON)	O(CCN)(NC)	N(B[5x3,4,9x5,6,6]B[5x3,4,9x5,6,6]4B[4x3,4x5,4x6])(CCO)(H)	121.7070	0.000	1	121.7070	0.000	1	121.9275	0.189	6	121.9275	0.189	6	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:4:2:	4:3:	3:3:1:	N-3:C-4:O-2:	In-4:C-3:	C[6a]-3:C-3:H-1:	C(NC[6a]H)(CHHN)(OIn)	O(InO3)(CCN)	N(C[6a]C[6a]2)(CCO)(H)	C(NC[6a]H)(CHHN)(OIn)	O(InO3)(CCN)	N(C[6a]C[6a]2)(CCO)(H)	122.9510	0.000	1	122.9510	0.000	1	122.9510	0.000	1	122.9510	0.000	1	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:4:2:	4:3:	6:3:1:	N-3:C-4:O-2:	C-4:C-3:	B[3x3,3x5,12x6]-6:C-3:H-1:	C(NB[3x3,3x5,12x6]H)(CCHH)(OC)	O(CCCH)(CCN)	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(CCO)(H)	C(NB[3x3,3x5,12x6]H)(CCHH)(OC)	O(CCCH)(CCN)	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Co)(CCO)(H)	115.6660	0.000	1	115.6660	0.000	1	119.5495	23.651	4	119.5495	23.651	4	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:4:2:	4:3:	6:3:1:	N-3:C-4:O-2:	C-4:C-3:	B[3x3,3x5,12x6]-6:C-3:H-1:	C(NB[3x3,3x5,12x6]H)(CCHH)(OC)	O(CCCH)(CCN)	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2H)(CCO)(H)	C(NB[3x3,3x5,12x6]H)(CCHH)(OC)	O(CCCH)(CCN)	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2H)(CCO)(H)	115.0550	0.000	1	115.0550	0.000	1	119.5495	23.651	4	119.5495	23.651	4	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	3:4:2:	4:3:	6:3:1:	N-3:C-4:O-2:	C-4:C-3:	B[3x3,3x5,12x6]-6:C-3:H-1:	C(NB[3x3,3x5,12x6]H)(CCHH)(OC)	O(CCHH)(CCN)	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2H)(CCO)(H)	C(NB[3x3,3x5,12x6]H)(CCHH)(OC)	O(CCHH)(CCN)	N(B[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2H)(CCO)(H)	123.7385	0.759	2	123.7385	0.576	2	119.5495	23.651	4	119.5495	23.651	4	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	4:3:2:	3:1:	4:3:1:	C-4:N-3:O-2:	C-3:H-1:	C-4:C-3:H-1:	C(CH3)(NCH)(OH)	O(CCN)(H)	N(CCHH)(CCO)(H)	C(CH3)(NCH)(OH)	O(CCN)(H)	N(CCHH)(CCO)(H)	117.6970	0.024	2	117.6970	0.001	2	117.6970	0.001	2	117.6970	0.001	2	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	4:3:2:	3:1:	4:4:3:	C-4:N-3:O-2:	C-3:H-1:	C-4:C-4:C-3:	C(CCHH)(NCC)(OH)	O(CCN)(H)	N(CH3)2(CCO)	C(CCHH)(NCC)(OH)	O(CCN)(H)	N(CH3)2(CCO)	115.6180	0.000	1	115.6180	0.000	1	118.5407	14.770	3	118.5407	14.770	3	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	4:3:2:	3:1:	4:4:3:	C-4:N-3:O-2:	C-3:H-1:	C-4:C-4:C-3:	C(CH3)(NCC)(OH)	O(CCN)(H)	N(CH3)2(CCO)	C(CH3)(NCC)(OH)	O(CCN)(H)	N(CH3)2(CCO)	120.0020	4.090	2	120.0020	16.727	2	118.5407	14.770	3	118.5407	14.770	3	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	4:3:2:	4:3:	3:1:1:	C-4:N-3:O-2:	C-4:C-3:	C-3:H-1:H-1:	C(CH3)(NHH)(OC)	O(CCHH)(CCN)	N(CCO)(H)2	C(CH3)(NHH)(OC)	O(CCHH)(CCN)	N(CCO)(H)2	123.2570	0.000	1	123.2570	0.000	1	123.2570	0.000	1	123.2570	0.000	1	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP2	C	O	N	4:3:2:	4:3:	4:4:3:	C-4:N-3:O-2:	C-4:C-3:	C-4:C-4:C-3:	C(CH3)(NCC)(OC)	O(CCHH)(CCN)	N(CH3)2(CCO)	C(CH3)(NCC)(OC)	O(CCHH)(CCN)	N(CH3)2(CCO)	115.7125	0.224	2	115.7125	0.050	2	115.7125	0.050	2	115.7125	0.050	2	110.4941	7.499	2221	110.4941	7.499	2221
930	893	956	0:SP2_SP2_SP3	C	O	N	2:3:1:	3:3:	4:3:2:	O-2:N-3:O-1:	C[6a]-3:C-3:	C-4:C-3:O-2:	C(OC[6a])(NCO)(O)	O(C[6a]C[6a]2)(CNO)	N(CB[5,5]HH)(COO)(OC)	C(OC[6a])(NCO)(O)	O(C[6a]C[6a]2)(CNO)	N(CB[5,5]HH)(COO)(OC)	111.0420	0.000	1	111.0420	0.000	1	111.0420	0.000	1	111.0420	0.000	1	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	2:3:1:	4:3:	3:3:1:	O-2:N-3:O-1:	C[6]-4:C-3:	C-3:C-3:H-1:	C(OC[6])(NCH)(O)	O(C[6]C[6]2H)(CNO)	N(CNS)(COO)(H)	C(OC[6])(NCH)(O)	O(C[6]C[6]2H)(CNO)	N(CNS)(COO)(H)	107.6760	0.000	1	107.6760	0.000	1	107.6760	0.000	1	107.6760	0.000	1	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	3:3:	4:4:3:	N-3:O-2:H-1:	C-3:C-3:	C-4:C-4:C-3:	C(NCC)(OC)(H)	O(CHN)2	N(CH3)2(CHO)	C(NCC)(OC)(H)	O(CHN)2	N(CH3)2(CHO)	116.4880	0.000	1	116.4880	0.000	1	116.4880	0.000	1	116.4880	0.000	1	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	2:3:1:	N-3:O-2:O-1:	C-4:C-3:	O-2:C-3:H-1:	C(NHO)(OC)(O)	O(CC3)(CNO)	N(OC[6])(COO)(H)	C(NHO)(OC)(O)	O(CC3)(CNO)	N(OC[6])(COO)(H)	107.8985	0.046	2	107.8985	0.002	2	108.3350	0.573	3	108.3350	0.573	3	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	2:3:1:	N-3:O-2:O-1:	C-4:C-3:	O-2:C-3:H-1:	C(NHO)(OC)(O)	O(CC[6a]HH)(CNO)	N(OC[6])(COO)(H)	C(NHO)(OC)(O)	O(CC[6a]HH)(CNO)	N(OC[6])(COO)(H)	109.2080	0.000	1	109.2080	0.000	1	108.3350	0.573	3	108.3350	0.573	3	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	3:1:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:H-1:H-1:	C(NHH)(OC)(O)	O(CCCH)(CNO)	N(COO)(H)2	C(NHH)(OC)(O)	O(CCCH)(CNO)	N(COO)(H)2	111.0655	0.332	2	111.0655	0.110	2	111.4183	0.230	4	111.4183	0.230	4	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	3:1:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:H-1:H-1:	C(NHH)(OC)(O)	O(CCHH)(CNO)	N(COO)(H)2	C(NHH)(OC)(O)	O(CCHH)(CNO)	N(COO)(H)2	111.9730	0.000	1	111.9730	0.000	1	111.4183	0.230	4	111.4183	0.230	4	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	3:1:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:H-1:H-1:	C(NHH)(OC)(O)	O(CC[6a]HH)(CNO)	N(COO)(H)2	C(NHH)(OC)(O)	O(CC[6a]HH)(CNO)	N(COO)(H)2	111.5690	0.000	1	111.5690	0.000	1	111.4183	0.230	4	111.4183	0.230	4	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	3:2:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:N-2:H-1:	C(NHN)(OC)(O)	O(CCHH)(CNO)	N(COO)(NC)(H)	C(NHN)(OC)(O)	O(CCHH)(CNO)	N(COO)(NC)(H)	107.9650	0.000	1	107.9650	0.000	1	108.6460	0.928	2	107.5521	1.285	7	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	3:2:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:N-2:H-1:	C(NHN)(OC)(O)	O(CH3)(CNO)	N(COO)(NC)(H)	C(NHN)(OC)(O)	O(CH3)(CNO)	N(COO)(NC)(H)	109.3270	0.000	1	109.3270	0.000	1	108.6460	0.928	2	107.5521	1.285	7	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	3:2:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:O-2:H-1:	C(NHO)(OC)(O)	O(CC3)(CNO)	N(COO)(OC)(H)	C(NHO)(OC)(O)	O(CC3)(CNO)	N(COO)(OC)(H)	107.7125	0.865	2	107.7125	0.748	2	107.1146	0.859	5	107.5521	1.285	7	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	3:2:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:O-2:H-1:	C(NHO)(OC)(O)	O(CC3)(CNO)	N(COO)(OP)(H)	C(NHO)(OC)(O)	O(CC3)(CNO)	N(COO)(OP)(H)	106.3120	0.718	2	106.3120	0.516	2	107.1146	0.859	5	107.5521	1.285	7	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	3:2:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:O-2:H-1:	C(NHO)(OC)(O)	O(CC[6a]HH)(CNO)	N(COO)(OS)(H)	C(NHO)(OC)(O)	O(CC[6a]HH)(CNO)	N(COO)(OS)(H)	107.5240	0.000	1	107.5240	0.000	1	107.1146	0.859	5	107.5521	1.285	7	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CNN)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CNN)(COO)(H)	108.0740	0.000	1	108.0740	0.000	1	108.0740	0.000	1	108.5917	1.953	26	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:N-3:H-1:	C(NHN)(OC)(O)	O(CC3)(CNO)	N(COO)(NCC)(H)	C(NHN)(OC)(O)	O(CC3)(CNO)	N(COO)(NCC)(H)	109.3222	2.409	4	109.3222	5.802	4	108.9438	3.525	13	108.5917	1.953	26	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:N-3:H-1:	C(NHN)(OC)(O)	O(CC3)(CNO)	N(COO)(NCH)(H)	C(NHN)(OC)(O)	O(CC3)(CNO)	N(COO)(NCH)(H)	108.4360	0.211	2	108.4360	0.044	2	108.9438	3.525	13	108.5917	1.953	26	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:N-3:H-1:	C(NHN)(OC)(O)	O(CCCH)(CNO)	N(COO)(NCC)(H)	C(NHN)(OC)(O)	O(CCCH)(CNO)	N(COO)(NCC)(H)	109.1670	0.000	1	109.1670	0.000	1	108.9438	3.525	13	108.5917	1.953	26	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:N-3:H-1:	C(NHN)(OC)(O)	O(CCCH)(CNO)	N(COO)(NCH)(H)	C(NHN)(OC)(O)	O(CCCH)(CNO)	N(COO)(NCH)(H)	108.9230	0.000	1	108.9230	0.000	1	108.9438	3.525	13	108.5917	1.953	26	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:N-3:H-1:	C(NHN)(OC)(O)	O(CC[6a]HH)(CNO)	N(COO)(NCC)(H)	C(NHN)(OC)(O)	O(CC[6a]HH)(CNO)	N(COO)(NCC)(H)	107.4805	2.947	2	107.4805	8.682	2	108.9438	3.525	13	108.5917	1.953	26	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:N-3:H-1:	C(NHN)(OC)(O)	O(CC[6a]HH)(CNO)	N(COO)(NCH)(H)	C(NHN)(OC)(O)	O(CC[6a]HH)(CNO)	N(COO)(NCH)(H)	109.3730	0.000	1	109.3730	0.000	1	108.9438	3.525	13	108.5917	1.953	26	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:N-3:H-1:	C(NHN)(OC)(O)	O(CH3)(CNO)	N(COO)(NCH)(H)	C(NHN)(OC)(O)	O(CH3)(CNO)	N(COO)(NCH)(H)	111.9570	0.000	1	111.9570	0.000	1	108.9438	3.525	13	108.5917	1.953	26	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-3:N-3:H-1:	C(NHN)(OC)(O)	O(CH3)(CNO)	N(COO)(NHP)(H)	C(NHN)(OC)(O)	O(CH3)(CNO)	N(COO)(NHP)(H)	107.7280	0.000	1	107.7280	0.000	1	108.9438	3.525	13	108.5917	1.953	26	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5a]-3:C-3:H-1:	C(NC[5a]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[5a]N[5a]2)(COO)(H)	C(NC[5a]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[5a]N[5a]2)(COO)(H)	108.9050	0.000	1	108.9050	0.000	1	108.9050	0.000	1	108.5917	1.953	26	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	N-3:C-3:H-1:	C(NHN)(OC)(O)	O(CC3)(CNO)	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	O(CC3)(CNO)	N(NC[5]C)(COO)(H)	107.5290	0.147	2	107.5290	0.022	2	108.2199	0.303	10	108.5917	1.953	26	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	N-3:C-3:H-1:	C(NHN)(OC)(O)	O(CCCH)(CNO)	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	O(CCCH)(CNO)	N(NC[5]C)(COO)(H)	108.3920	0.000	1	108.3920	0.000	1	108.2199	0.303	10	108.5917	1.953	26	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	N-3:C-3:H-1:	C(NHN)(OC)(O)	O(CCHH)(CNO)	N(NC[5]C)(COO)(H)	C(NHN)(OC)(O)	O(CCHH)(CNO)	N(NC[5]C)(COO)(H)	108.8910	0.675	2	108.8910	0.455	2	108.2199	0.303	10	108.5917	1.953	26	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	N-3:C-3:H-1:	C(NHN)(OC)(O)	O(CCHH)(CNO)	N(NC[6a]C)(COO)(H)	C(NHN)(OC)(O)	O(CCHH)(CNO)	N(NC[6a]C)(COO)(H)	108.3850	0.184	2	108.3850	0.034	2	108.2199	0.303	10	108.5917	1.953	26	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	N-3:C-3:H-1:	C(NHN)(OC)(O)	O(CCHH)(CNO)	N(NP[4]C)(COO)(H)	C(NHN)(OC)(O)	O(CCHH)(CNO)	N(NP[4]C)(COO)(H)	107.6960	0.000	1	107.6960	0.000	1	108.2199	0.303	10	108.5917	1.953	26	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	N-3:C-3:H-1:	C(NHN)(OC)(O)	O(CH3)(CNO)	N(NC[6a]C)(COO)(H)	C(NHN)(OC)(O)	O(CH3)(CNO)	N(NC[6a]C)(COO)(H)	108.2505	0.029	2	108.2505	0.001	2	108.2199	0.303	10	108.5917	1.953	26	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	3:3:1:	N-3:O-2:O-1:	C-4:C-3:	N[5]-3:C-3:H-1:	C(NN[5]H)(OC)(O)	O(CC3)(CNO)	N(N[5]C[5]2)(COO)(H)	C(NN[5]H)(OC)(O)	O(CC3)(CNO)	N(N[5]C[5]2)(COO)(H)	107.9360	0.000	1	107.9360	0.000	1	107.9360	0.000	1	108.5917	1.953	26	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	3:3:2:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:O-2:	C(NC[6a]O)(OC)(O)	O(CH3)(CNO)	N(C[6a]C[6a]2)(COO)(OH)	C(NC[6a]O)(OC)(O)	O(CH3)(CNO)	N(C[6a]C[6a]2)(COO)(OH)	110.8140	0.273	2	110.8140	0.074	2	110.8140	0.074	2	110.8140	0.074	2	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-3:C-3:	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CC[6a]O)(COO)2	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CC[6a]O)(COO)2	109.1380	2.014	2	109.1380	4.056	2	109.1380	4.056	2	109.1638	1.015	5	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	C-3:C-3:N-3:	C(NCN)(OC)(O)	O(CC3)(CNO)	N(CC[6a]O)(COO)(NCC)	C(NCN)(OC)(O)	O(CC3)(CNO)	N(CC[6a]O)(COO)(NCC)	109.1740	0.000	1	109.1740	0.000	1	109.1740	0.000	1	109.1638	1.015	5	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	3:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[6a]-3:C-3:C-3:	C(NC[6a]C)(OC)(O)	O(CHHO)(CNO)	N(C[6a]C[6a]2)(CC[5a]N[6])(COO)	C(NC[6a]C)(OC)(O)	O(CHHO)(CNO)	N(C[6a]C[6a]2)(CC[5a]N[6])(COO)	109.1845	0.030	2	109.1845	0.001	2	109.1845	0.001	2	109.1638	1.015	5	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	3:4:3:	N-3:O-2:O-1:	C-4:C-3:	N-3:C-4:C-3:	C(NCN)(OC)(O)	O(CCHH)(CNO)	N(NC[6a]H)(CCHO)(COO)	C(NCN)(OC)(O)	O(CCHH)(CNO)	N(NC[6a]H)(CCHO)(COO)	111.6880	0.000	1	111.6880	0.000	1	111.6880	0.000	1	111.2185	0.441	2	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	3:4:3:	N-3:O-2:O-1:	C-4:C-3:	N[3]-3:C-4:C-3:	C(NN[3]C)(OC)(O)	O(CC3)(CNO)	N(N[3]C[3]2)(CCHH)(COO)	C(NN[3]C)(OC)(O)	O(CC3)(CNO)	N(N[3]C[3]2)(CCHH)(COO)	110.7490	0.000	1	110.7490	0.000	1	110.7490	0.000	1	111.2185	0.441	2	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CCCH)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CCCH)(COO)(H)	109.8302	0.944	9	109.8302	0.891	9	110.0983	1.736	21	109.8999	1.778	39	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CCHH)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CCHH)(COO)(H)	109.3880	0.000	1	109.3880	0.000	1	110.0983	1.736	21	109.8999	1.778	39	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[6a]CH)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[6a]CH)(COO)(H)	108.8675	1.981	2	108.8675	3.923	2	110.0983	1.736	21	109.8999	1.778	39	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[6a]C[5]H)(COO)(H)	C(NCH)(OC)(O)	O(CC3)(CNO)	N(CC[6a]C[5]H)(COO)(H)	109.4025	0.395	2	109.4025	0.156	2	110.0983	1.736	21	109.8999	1.778	39	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC[5]HH)(CNO)	N(CCCH)(COO)(H)	C(NCH)(OC)(O)	O(CC[5]HH)(CNO)	N(CCCH)(COO)(H)	110.3602	0.445	4	110.3602	0.198	4	110.0983	1.736	21	109.8999	1.778	39	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CCCH)(COO)(H)	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CCCH)(COO)(H)	110.1590	0.000	1	110.1590	0.000	1	110.0983	1.736	21	109.8999	1.778	39	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CCHH)(COO)(H)	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CCHH)(COO)(H)	112.6690	0.000	1	112.6690	0.000	1	110.0983	1.736	21	109.8999	1.778	39	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:H-1:	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[6a]CH)(COO)(H)	C(NCH)(OC)(O)	O(CC[6a]HH)(CNO)	N(CC[6a]CH)(COO)(H)	113.3960	0.000	1	113.3960	0.000	1	110.0983	1.736	21	109.8999	1.778	39	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[4]-4:C-3:H-1:	C(NC[4]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[4]C[4]2C)(COO)(H)	C(NC[4]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[4]C[4]2C)(COO)(H)	112.4580	0.000	1	112.4580	0.000	1	112.4580	0.000	1	109.8999	1.778	39	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5,6]-4:C-3:H-1:	C(NC[5,6]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[5,6]C[5,5,6,6]C[5]C[6])(COO)(H)	C(NC[5,6]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[5,6]C[5,5,6,6]C[5]C[6])(COO)(H)	110.1870	0.000	1	110.1870	0.000	1	110.1870	0.000	1	109.8999	1.778	39	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6a]C[5]2)(COO)(H)	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6a]C[5]2)(COO)(H)	108.9843	1.310	3	108.9843	1.715	3	109.0335	1.203	11	109.8999	1.778	39	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6a]C[5]C)(COO)(H)	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6a]C[5]C)(COO)(H)	109.6475	1.232	2	109.6475	1.519	2	109.0335	1.203	11	109.8999	1.778	39	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6a]C[5]N)(COO)(H)	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6a]C[5]N)(COO)(H)	108.6840	0.000	1	108.6840	0.000	1	109.0335	1.203	11	109.8999	1.778	39	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6a]C[5a]C[5])(COO)(H)	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5,6a]C[5a]C[5])(COO)(H)	107.5870	0.000	2	107.5870	0.000	2	109.0335	1.203	11	109.8999	1.778	39	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5]2C)(COO)(H)	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5]2C)(COO)(H)	110.0265	0.080	2	110.0265	0.006	2	109.0335	1.203	11	109.8999	1.778	39	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:H-1:	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5]2H)(COO)(H)	C(NC[5]H)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5]2H)(COO)(H)	109.2090	0.000	1	109.2090	0.000	1	109.0335	1.203	11	109.8999	1.778	39	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6,6]-4:C-3:H-1:	C(NC[6,6]H)(OC)(O)	O(CC3)(CNO)	N(C[6,6]C[5,6]C[6,6]C[6])(COO)(H)	C(NC[6,6]H)(OC)(O)	O(CC3)(CNO)	N(C[6,6]C[5,6]C[6,6]C[6])(COO)(H)	108.7090	0.000	1	108.7090	0.000	1	108.7090	0.000	1	109.8999	1.778	39	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CCHH)(CNO)	N(C[6]C[6a]C[6]N[6])(COO)(H)	C(NC[6]H)(OC)(O)	O(CCHH)(CNO)	N(C[6]C[6a]C[6]N[6])(COO)(H)	111.2480	0.000	1	111.2480	0.000	1	110.8273	0.088	4	109.8999	1.778	39	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[6]C[6]2C)(COO)(H)	C(NC[6]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[6]C[6]2C)(COO)(H)	110.5550	0.000	1	110.5550	0.000	1	110.8273	0.088	4	109.8999	1.778	39	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[6]N[5,6]C[6]H)(COO)(H)	C(NC[6]H)(OC)(O)	O(CC[6a]HH)(CNO)	N(C[6]N[5,6]C[6]H)(COO)(H)	110.7240	0.000	1	110.7240	0.000	1	110.8273	0.088	4	109.8999	1.778	39	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	4:3:1:	N-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:H-1:	C(NC[6]H)(OC)(O)	O(CH3)(CNO)	N(C[6]C[6,6a]C[6]H)(COO)(H)	C(NC[6]H)(OC)(O)	O(CH3)(CNO)	N(C[6]C[6,6a]C[6]H)(COO)(H)	110.7820	0.000	1	110.7820	0.000	1	110.8273	0.088	4	109.8999	1.778	39	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	4:3:2:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:O-2:	C(NCO)(OC)(O)	O(CC3)(CNO)	N(CCCH)(COO)(OC)	C(NCO)(OC)(O)	O(CC3)(CNO)	N(CCCH)(COO)(OC)	110.9690	0.000	1	110.9690	0.000	1	109.8730	2.402	2	110.3703	1.943	3	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	4:3:2:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:O-2:	C(NCO)(OC)(O)	O(CC3)(CNO)	N(CH3)(COO)(OP)	C(NCO)(OC)(O)	O(CC3)(CNO)	N(CH3)(COO)(OP)	108.7770	0.000	1	108.7770	0.000	1	109.8730	2.402	2	110.3703	1.943	3	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	4:3:2:	N-3:O-2:O-1:	C-4:C-3:	C[6]-4:C-3:O-2:	C(NC[6]O)(OC)(O)	O(CC3)(CNO)	N(C[6]C[6]2H)(COO)(OH)	C(NC[6]O)(OC)(O)	O(CC3)(CNO)	N(C[6]C[6]2H)(COO)(OH)	111.3650	0.000	1	111.3650	0.000	1	111.3650	0.000	1	110.3703	1.943	3	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C-4:C-3:C-3:	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CCCH)(COO)2	C(NCC)(OC)(O)	O(CC3)(CNO)	N(CCCH)(COO)2	109.6020	1.426	2	109.6020	2.032	2	109.6020	2.032	2	110.3990	1.528	4	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[3x4]-4:C-3:N-3:	C(NC[3x4]N)(OC)(O)	O(CC3)(CNO)	N(C[3x4]C[4,4]3)(COO)(NCH)	C(NC[3x4]N)(OC)(O)	O(CC3)(CNO)	N(C[3x4]C[4,4]3)(COO)(NCH)	111.1260	0.000	1	111.1260	0.000	1	111.1260	0.000	1	110.3990	1.528	4	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	4:3:3:	N-3:O-2:O-1:	C-4:C-3:	C[5]-4:C-3:N-3:	C(NC[5]N)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5]2C)(COO)(NCH)	C(NC[5]N)(OC)(O)	O(CC3)(CNO)	N(C[5]C[5]2C)(COO)(NCH)	111.2660	0.000	1	111.2660	0.000	1	111.2660	0.000	1	110.3990	1.528	4	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:1:	4:3:	4:4:3:	N-3:O-2:O-1:	C-4:C-3:	C[3]-4:C-4:C-3:	C(NC[3]C)(OC)(O)	O(CC3)(CNO)	N(C[3]C[3]2H)(CCHH)(COO)	C(NC[3]C)(OC)(O)	O(CC3)(CNO)	N(C[3]C[3]2H)(CCHH)(COO)	109.6420	0.000	1	109.6420	0.000	1	109.6420	0.000	1	109.6420	0.000	1	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:2:	3:3:	4:4:3:	N-3:C-2:O-2:	C-3:C-3:	C-4:S-4:C-3:	C(NCS)(CC)(OC)	O(CCN)(COO)	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(NCS)(CC)(OC)	O(CCN)(COO)	N(CC[6a]HH)(SC[6a]OO)(CCO)	111.5530	0.000	1	111.5530	0.000	1	111.5530	0.000	1	111.5530	0.000	1	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:2:	4:3:	4:3:1:	N-3:O-2:O-2:	C-4:C-3:	N-4:C-3:H-1:	C(NHN)(OCo)(OC)	O(CH3)(CNO)	N(NCoHH)(COO)(H)	C(NHN)(OCo)(OC)	O(CH3)(CNO)	N(NCoHH)(COO)(H)	113.0560	0.000	1	113.0560	0.000	1	113.1585	0.021	2	113.1585	0.021	2	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:2:2:	4:3:	4:3:1:	N-3:O-2:O-2:	C-4:C-3:	N-4:C-3:H-1:	C(NHN)(ONi)(OC)	O(CH3)(CNO)	N(NNiHH)(COO)(H)	C(NHN)(ONi)(OC)	O(CH3)(CNO)	N(NNiHH)(COO)(H)	113.2610	0.000	1	113.2610	0.000	1	113.1585	0.021	2	113.1585	0.021	2	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:3:2:	3:3:	4:4:3:	C-3:N-3:O-2:	C-3:C-3:	C-4:S-4:C-3:	C(CCH)(NCS)(OC)	O(CCN)2	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(CCH)(NCS)(OC)	O(CCN)2	N(CC[6a]HH)(SC[6a]OO)(CCO)	110.6915	1.811	2	110.6915	3.279	2	110.6915	3.279	2	110.6915	3.279	2	109.6261	3.036	106	109.6261	3.036	106
930	893	956	0:SP2_SP2_SP3	C	O	N	3:3:2:	4:3:	4:4:3:	C-3:N-3:O-2:	C-4:C-3:	C-4:S-4:C-3:	C(CCH)(NCS)(OC)	O(CCHH)(CCN)	N(CC[6a]HH)(SC[6a]OO)(CCO)	C(CCH)(NCS)(OC)	O(CCHH)(CCN)	N(CC[6a]HH)(SC[6a]OO)(CCO)	110.3275	0.035	2	110.3275	0.001	2	110.3275	0.001	2	110.3275	0.001	2	109.6261	3.036	106	109.6261	3.036	106
930	893	977	0:SP2_SP-NON_SP2	C	O	S	2:1:1:	4:3:	3:	O-2:S-1:S-1:	C-4:C-3:	C-3:	C(OC)(S)2	O(CCHH)(CSS)	S(COS)	C(OC)(S)2	O(CCHH)(CSS)	S(COS)	116.6423	4.717	4	116.6423	22.248	4	116.6423	22.248	4	116.6423	22.248	4	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	2:2:1:	3:3:	3:	O-2:O-2:S-1:	C[6a]-3:C-3:	C-3:	C(OC[3x6])(OC[6a])(S)	O(C[6a]C[6a]2)(COS)	S(COO)	C(OC[3x6])(OC[6a])(S)	O(C[6a]C[6a]2)(COS)	S(COO)	126.6655	0.153	2	126.6655	0.024	2	126.5738	0.111	4	126.5738	0.111	4	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	2:2:1:	3:3:	3:	O-2:O-2:S-1:	C[6a]-3:C-3:	C-3:	C(OC[6,6])(OC[6a])(S)	O(C[6a]C[6a]2)(COS)	S(COO)	C(OC[6,6])(OC[6a])(S)	O(C[6a]C[6a]2)(COS)	S(COO)	126.8530	0.000	1	126.8530	0.000	1	126.5738	0.111	4	126.5738	0.111	4	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	2:2:1:	3:3:	3:	O-2:O-2:S-1:	C[6a]-3:C-3:	C-3:	C(OC[6a])(OC[5])(S)	O(C[6a]C[6a]2)(COS)	S(COO)	C(OC[6a])(OC[5])(S)	O(C[6a]C[6a]2)(COS)	S(COO)	126.1110	0.000	1	126.1110	0.000	1	126.5738	0.111	4	126.5738	0.111	4	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	2:2:1:	4:3:	3:	O-2:O-2:S-1:	C-4:C-3:	C-3:	C(OMg)(OC)(S)	O(CCCH)(COS)	S(COO)	C(OMg)(OC)(S)	O(CCCH)(COS)	S(COO)	112.9120	0.000	1	112.9120	0.000	1	112.9120	0.000	1	126.3828	14.125	25	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	2:2:1:	4:3:	3:	O-2:O-2:S-1:	C[3x6]-4:C-3:	C-3:	C(OC[3x6])(OC[6a])(S)	O(C[3x6]C[6,6,6a]3)(COS)	S(COO)	C(OC[3x6])(OC[6a])(S)	O(C[3x6]C[6,6,6a]3)(COS)	S(COO)	120.8920	0.035	2	120.8920	0.001	2	120.8920	0.001	2	126.3828	14.125	25	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	2:2:1:	4:3:	3:	O-2:O-2:S-1:	C[5]-4:C-3:	C-3:	C(OC[6a])(OC[5])(S)	O(C[5]C[5]2H)(COS)	S(COO)	C(OC[6a])(OC[5])(S)	O(C[5]C[5]2H)(COS)	S(COO)	128.5430	0.000	1	128.5430	0.000	1	128.5430	0.000	1	126.3828	14.125	25	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	2:2:1:	4:3:	3:	O-2:O-2:S-1:	C[6,6]-4:C-3:	C-3:	C(OC[6,6])(OC[6a])(S)	O(C[6,6]C[3x6]2H)(COS)	S(COO)	C(OC[6,6])(OC[6a])(S)	O(C[6,6]C[3x6]2H)(COS)	S(COO)	128.2750	0.000	1	128.2750	0.000	1	128.2750	0.000	1	126.3828	14.125	25	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	2:2:1:	4:3:	3:	O-2:S-2:S-1:	C-4:C-3:	C-3:	C(OC)(SC)(S)	O(CCCH)(CSS)	S(COS)	C(OC)(SC)(S)	O(CCCH)(CSS)	S(COS)	127.7490	0.000	1	127.7490	0.000	1	128.5891	1.521	9	126.3828	14.125	25	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	2:2:1:	4:3:	3:	O-2:S-2:S-1:	C-4:C-3:	C-3:	C(OC)(SC)(S)	O(CCHH)(CSS)	S(COS)	C(OC)(SC)(S)	O(CCHH)(CSS)	S(COS)	127.5920	0.263	3	127.5920	0.069	3	128.5891	1.521	9	126.3828	14.125	25	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	2:2:1:	4:3:	3:	O-2:S-2:S-1:	C-4:C-3:	C-3:	C(OC)(SC)(S)	O(CH3)(CSS)	S(COS)	C(OC)(SC)(S)	O(CH3)(CSS)	S(COS)	127.4050	0.000	1	127.4050	0.000	1	128.5891	1.521	9	126.3828	14.125	25	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	2:2:1:	4:3:	3:	O-2:S-2:S-1:	C-4:C-3:	C-3:	C(OC)(SS)(S)	O(CCCH)(CSS)	S(COS)	C(OC)(SS)(S)	O(CCCH)(CSS)	S(COS)	129.8430	0.464	4	129.8430	0.215	4	128.5891	1.521	9	126.3828	14.125	25	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	2:2:1:	4:3:	3:	O-2:S-2:S-1:	C[5]-4:C-3:	C-3:	C(OC[5])(SC)(S)	O(C[5]C[5,6,6]C[5]H)(CSS)	S(COS)	C(OC[5])(SC)(S)	O(C[5]C[5,6,6]C[5]H)(CSS)	S(COS)	127.9610	0.000	1	127.9610	0.000	1	127.9610	0.000	1	126.3828	14.125	25	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	2:2:1:	4:3:	3:	O-2:S-2:S-1:	C[6]-4:C-3:	C-3:	C(OC[6])(SC)(S)	O(C[6]C[5,6]C[6]H)(CSS)	S(COS)	C(OC[6])(SC)(S)	O(C[6]C[5,6]C[6]H)(CSS)	S(COS)	127.0000	0.000	1	127.0000	0.000	1	126.9740	0.001	2	126.3828	14.125	25	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	2:2:1:	4:3:	3:	O-2:S-2:S-1:	C[6]-4:C-3:	C-3:	C(OC[6])(SC)(S)	O(C[6]C[6]2H)(CSS)	S(COS)	C(OC[6])(SC)(S)	O(C[6]C[6]2H)(CSS)	S(COS)	126.9480	0.000	1	126.9480	0.000	1	126.9740	0.001	2	126.3828	14.125	25	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	2:2:1:	4:3:	3:	S-2:O-2:S-1:	C-4:C-3:	C-3:	C(SC[3x4])(OC)(S)	O(CCHH)(CSS)	S(COS)	C(SC[3x4])(OC)(S)	O(CCHH)(CSS)	S(COS)	127.2290	0.000	1	127.2290	0.000	1	126.1055	4.171	8	126.3828	14.125	25	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	2:2:1:	4:3:	3:	S-2:O-2:S-1:	C-4:C-3:	C-3:	C(SC[5])(OC)(S)	O(CCHH)(CSS)	S(COS)	C(SC[5])(OC)(S)	O(CCHH)(CSS)	S(COS)	127.2490	0.000	1	127.2490	0.000	1	126.1055	4.171	8	126.3828	14.125	25	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	2:2:1:	4:3:	3:	S-2:O-2:S-1:	C-4:C-3:	C-3:	C(SCu)(OC)(S)	O(CH3)(CSS)	S(COS)	C(SCu)(OC)(S)	O(CH3)(CSS)	S(COS)	122.4820	0.000	1	122.4820	0.000	1	126.1055	4.171	8	126.3828	14.125	25	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	2:2:1:	4:3:	3:	S-2:O-2:S-1:	C-4:C-3:	C-3:	C(SGa[4])(OC)(S)	O(CCHH)(CSS)	S(COS)	C(SGa[4])(OC)(S)	O(CCHH)(CSS)	S(COS)	124.4020	0.208	2	124.4020	0.043	2	126.1055	4.171	8	126.3828	14.125	25	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	2:2:1:	4:3:	3:	S-2:O-2:S-1:	C-4:C-3:	C-3:	C(SSn)(OC)(S)	O(CCCH)(CSS)	S(COS)	C(SSn)(OC)(S)	O(CCCH)(CSS)	S(COS)	127.6933	0.212	3	127.6933	0.045	3	126.1055	4.171	8	126.3828	14.125	25	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	2:3:1:	3:3:	3:	O-2:N-3:S-1:	C[6a]-3:C-3:	C-3:	C(OC[6a])(NCC)(S)	O(C[6a]C[6,6a]C[6a])(CNS)	S(CNO)	C(OC[6a])(NCC)(S)	O(C[6a]C[6,6a]C[6a])(CNS)	S(CNO)	123.1700	0.000	1	123.1700	0.000	1	123.3495	0.439	23	123.3495	0.439	23	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	2:3:1:	3:3:	3:	O-2:N-3:S-1:	C[6a]-3:C-3:	C-3:	C(OC[6a])(NCC)(S)	O(C[6a]C[6a]2)(CNS)	S(CNO)	C(OC[6a])(NCC)(S)	O(C[6a]C[6a]2)(CNS)	S(CNO)	123.3576	0.677	22	123.3576	0.458	22	123.3495	0.439	23	123.3495	0.439	23	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	3:2:1:	3:3:	3:	N-3:O-2:S-1:	C[6a]-3:C-3:	C-3:	C(NC[6a]2)(OC[6a])(S)	O(C[6a]C[6a]2)(CNS)	S(CNO)	C(NC[6a]2)(OC[6a])(S)	O(C[6a]C[6a]2)(CNS)	S(CNO)	124.0133	0.596	3	124.0133	0.356	3	124.2193	0.407	4	124.8578	2.344	5	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	3:2:1:	3:3:	3:	N-3:O-2:S-1:	C[6a]-3:C-3:	C-3:	C(NC[6a]C)(OC[6a])(S)	O(C[6a]C[6a]2)(CNS)	S(CNO)	C(NC[6a]C)(OC[6a])(S)	O(C[6a]C[6a]2)(CNS)	S(CNO)	124.8370	0.000	1	124.8370	0.000	1	124.2193	0.407	4	124.8578	2.344	5	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	3:2:1:	3:3:	3:	N[5a]-3:O-2:S-1:	C[6a]-3:C-3:	C-3:	C(N[5a]C[5a,6a]N[5a])(OC[6a])(S)	O(C[6a]C[6a]2)(CN[5a]S)	S(CN[5a]O)	C(N[5a]C[5a,6a]N[5a])(OC[6a])(S)	O(C[6a]C[6a]2)(CN[5a]S)	S(CN[5a]O)	127.4120	0.000	1	127.4120	0.000	1	127.4120	0.000	1	124.8578	2.344	5	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	3:2:1:	3:4:	3:	C[5]-3:O-2:S-1:	C-3:C-4:	C-3:	C(C[5]C[5]P[5])(OC)(S)	O(CC[5]S)(CH3)	S(CC[5]O)	C(C[5]C[5]P[5])(OC)(S)	O(CC[5]S)(CH3)	S(CC[5]O)	122.3730	0.000	1	122.3730	0.000	1	122.3730	0.000	1	123.3697	0.765	3	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	3:2:1:	3:4:	3:	C[5a]-3:O-2:S-1:	C-3:C-4:	C-3:	C(C[5a]C[5a]N[5a])(OC)(S)	O(CC[5a]S)(CH3)	S(CC[5a]O)	C(C[5a]C[5a]N[5a])(OC)(S)	O(CC[5a]S)(CH3)	S(CC[5a]O)	124.0100	0.000	1	124.0100	0.000	1	124.0100	0.000	1	123.3697	0.765	3	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	3:2:1:	3:4:	3:	C[6a]-3:O-2:S-1:	C-3:C-4:	C-3:	C(C[6a]C[6a]2)(OC)(S)	O(CC[6a]S)(CCHH)	S(CC[6a]O)	C(C[6a]C[6a]2)(OC)(S)	O(CC[6a]S)(CCHH)	S(CC[6a]O)	123.7260	0.000	1	123.7260	0.000	1	123.7260	0.000	1	123.3697	0.765	3	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	3:2:1:	4:3:	3:	C[6a]-3:O-2:S-1:	C-4:C-3:	C-3:	C(C[6a]C[6a]2)(OC)(S)	O(CC[6a]HH)(CC[6a]S)	S(CC[6a]O)	C(C[6a]C[6a]2)(OC)(S)	O(CC[6a]HH)(CC[6a]S)	S(CC[6a]O)	117.4530	0.000	1	117.4530	0.000	1	117.4530	0.000	1	125.0132	2.166	48	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	3:2:1:	4:3:	3:	N-3:O-2:S-1:	C-4:C-3:	C-3:	C(NCC)(OC)(S)	O(CCHH)(CNS)	S(CNO)	C(NCC)(OC)(S)	O(CCHH)(CNS)	S(CNO)	124.0010	0.939	2	124.0010	0.882	2	125.0628	0.685	45	125.0132	2.166	48	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	3:2:1:	4:3:	3:	N-3:O-2:S-1:	C-4:C-3:	C-3:	C(NCC)(OC)(S)	O(CC[6a]HH)(CNS)	S(CNO)	C(NCC)(OC)(S)	O(CC[6a]HH)(CNS)	S(CNO)	124.1690	0.000	1	124.1690	0.000	1	125.0628	0.685	45	125.0132	2.166	48	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	3:2:1:	4:3:	3:	N-3:O-2:S-1:	C-4:C-3:	C-3:	C(NCH)(OC)(S)	O(CCHH)(CNS)	S(CNO)	C(NCH)(OC)(S)	O(CCHH)(CNS)	S(CNO)	125.5172	0.729	4	125.5172	0.532	4	125.0628	0.685	45	125.0132	2.166	48	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	3:2:1:	4:3:	3:	N-3:O-2:S-1:	C-4:C-3:	C-3:	C(NCH)(OC)(S)	O(CC[6a]HH)(CNS)	S(CNO)	C(NCH)(OC)(S)	O(CC[6a]HH)(CNS)	S(CNO)	125.9470	0.000	1	125.9470	0.000	1	125.0628	0.685	45	125.0132	2.166	48	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	3:2:1:	4:3:	3:	N-3:O-2:S-1:	C-4:C-3:	C-3:	C(NCH)(OC)(S)	O(CH3)(CNS)	S(CNO)	C(NCH)(OC)(S)	O(CH3)(CNS)	S(CNO)	126.0390	1.113	5	126.0390	1.238	5	125.0628	0.685	45	125.0132	2.166	48	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	3:2:1:	4:3:	3:	N-3:O-2:S-1:	C-4:C-3:	C-3:	C(NC[6]H)(OC)(S)	O(CH3)(CNS)	S(CNO)	C(NC[6]H)(OC)(S)	O(CH3)(CNS)	S(CNO)	125.8340	0.000	1	125.8340	0.000	1	125.0628	0.685	45	125.0132	2.166	48	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	3:2:1:	4:3:	3:	N-3:O-2:S-1:	C-4:C-3:	C-3:	C(NC[6a]C)(OC)(S)	O(CCHH)(CNS)	S(CNO)	C(NC[6a]C)(OC)(S)	O(CCHH)(CNS)	S(CNO)	126.0740	0.000	1	126.0740	0.000	1	125.0628	0.685	45	125.0132	2.166	48	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	3:2:1:	4:3:	3:	N-3:O-2:S-1:	C-4:C-3:	C-3:	C(NC[6a]H)(OC)(S)	O(CCCH)(CNS)	S(CNO)	C(NC[6a]H)(OC)(S)	O(CCCH)(CNS)	S(CNO)	125.5542	0.461	5	125.5542	0.212	5	125.0628	0.685	45	125.0132	2.166	48	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	3:2:1:	4:3:	3:	N-3:O-2:S-1:	C-4:C-3:	C-3:	C(NC[6a]H)(OC)(S)	O(CCHH)(CNS)	S(CNO)	C(NC[6a]H)(OC)(S)	O(CCHH)(CNS)	S(CNO)	124.8614	0.471	14	124.8614	0.222	14	125.0628	0.685	45	125.0132	2.166	48	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	3:2:1:	4:3:	3:	N-3:O-2:S-1:	C-4:C-3:	C-3:	C(NC[6a]H)(OC)(S)	O(CH3)(CNS)	S(CNO)	C(NC[6a]H)(OC)(S)	O(CH3)(CNS)	S(CNO)	124.5188	0.540	11	124.5188	0.292	11	125.0628	0.685	45	125.0132	2.166	48	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	3:2:1:	4:3:	3:	N[5a]-3:O-2:S-1:	C-4:C-3:	C-3:	C(N[5a]C[5a,6a]N[5a])(OC)(S)	O(CC[6]HH)(CN[5a]S)	S(CN[5a]O)	C(N[5a]C[5a,6a]N[5a])(OC)(S)	O(CC[6]HH)(CN[5a]S)	S(CN[5a]O)	127.3920	0.000	1	127.3920	0.000	1	127.3920	0.000	1	125.0132	2.166	48	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	3:2:1:	4:3:	3:	N[5a]-3:O-2:S-1:	C[6]-4:C-3:	C-3:	C(N[5a]C[5a]2)(OC[6])(S)	O(C[6]C[3,6]C[6]H)(CN[5a]S)	S(CN[5a]O)	C(N[5a]C[5a]2)(OC[6])(S)	O(C[6]C[3,6]C[6]H)(CN[5a]S)	S(CN[5a]O)	127.9630	0.000	1	127.9630	0.000	1	127.9630	0.000	1	125.0132	2.166	48	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	4:2:1:	3:4:	3:	C[3,5,5]-4:O-2:S-1:	C-3:C-4:	C-3:	C(C[3,5,5]C[3,5]2C[5,5])(OC)(S)	O(CC[3,5,5]S)(CH3)	S(CC[3,5,5]O)	C(C[3,5,5]C[3,5]2C[5,5])(OC)(S)	O(CC[3,5,5]S)(CH3)	S(CC[3,5,5]O)	124.8670	0.000	1	124.8670	0.000	1	124.8670	0.000	1	124.8670	0.000	1	124.6729	8.123	115	124.6729	8.123	115
930	893	977	0:SP2_SP-NON_SP2	C	O	S	4:2:1:	4:3:	3:	C-4:O-2:S-1:	C-4:C-3:	C-3:	C(CC3)(OC)(S)	O(CCHH)(CCS)	S(CCO)	C(CC3)(OC)(S)	O(CCHH)(CCS)	S(CCO)	124.0080	0.233	2	124.0080	0.054	2	124.0080	0.054	2	124.0080	0.054	2	124.6729	8.123	115	124.6729	8.123	115