893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	2:1:1:1:	2:1:1:1:	C-4:S-4:	O-2:H-1:H-1:H-1:	O-2:O-1:O-1:O-1:	O(CH3)(SO3)	C(OS)(H)3	S(OC)(O)3	O(CH3)(SO3)	C(OS)(H)3	S(OC)(O)3	115.9076	1.174	14	115.9076	1.378	14	115.9076	1.378	14	115.9076	1.378	14	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	2:1:1:1:	2:2:1:1:	C-4:S-4:	O-2:H-1:H-1:H-1:	O-2:O-2:O-1:O-1:	O(CH3)(SO3)	C(OS)(H)3	S(OC)2(O)2	O(CH3)(SO3)	C(OS)(H)3	S(OC)2(O)2	117.4295	0.013	2	117.4295	0.000	2	116.8383	1.049	3	117.1750	1.189	5	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	2:1:1:1:	2:2:1:1:	C-4:S-4:	O-2:H-1:H-1:H-1:	O-2:O-2:O-1:O-1:	O(CH3)(SO3)	C(OS)(H)3	S(ORh)(OC)(O)2	O(CH3)(SO3)	C(OS)(H)3	S(ORh)(OC)(O)2	115.6560	0.000	1	115.6560	0.000	1	116.8383	1.049	3	117.1750	1.189	5	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	2:1:1:1:	2:2:1:1:	S-4:C-4:	O-2:H-1:H-1:H-1:	S-2:O-2:O-1:O-1:	O(SOOS)(CH3)	C(OS)(H)3	S(SMo)(OC)(O)2	O(SOOS)(CH3)	C(OS)(H)3	S(SMo)(OC)(O)2	117.6800	1.345	2	117.6800	1.809	2	117.6800	1.809	2	117.1750	1.189	5	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	2:1:1:1:	3:2:1:1:	S-4:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CH3)	C(OS)(H)3	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CH3)	C(OS)(H)3	S(C[6a]C[6a]2)(OC)(O)2	117.0475	0.162	2	117.0475	0.026	2	117.0475	0.026	2	117.0475	0.026	2	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	2:2:1:1:	3:2:1:1:	S-4:C-4:	C-2:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CCHH)	C(CC)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CCHH)	C(CC)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	117.9490	0.000	1	117.9490	0.000	1	117.9490	0.000	1	117.9490	0.000	1	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	3:2:1:1:	2:1:1:1:	C-4:S-4:	C[6a]-3:O-2:H-1:H-1:	O-2:O-1:O-1:O-1:	O(CC[6a]HH)(SO3)	C(C[6a]C[6a]2)(OS)(H)2	S(OC)(O)3	O(CC[6a]HH)(SO3)	C(C[6a]C[6a]2)(OS)(H)2	S(OC)(O)3	115.2505	0.112	2	115.2505	0.013	2	115.2505	0.013	2	115.2505	0.013	2	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	3:2:1:1:	2:2:1:1:	C-4:S-4:	C-3:O-2:H-1:H-1:	O-2:O-2:O-1:O-1:	O(CCHH)(SO3)	C(CCH)(OS)(H)2	S(OC)2(O)2	O(CCHH)(SO3)	C(CCH)(OS)(H)2	S(OC)2(O)2	118.3430	0.000	1	118.3430	0.000	1	118.3430	0.000	1	118.0342	0.698	5	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	3:2:1:1:	2:2:1:1:	C-4:S-4:	C[4]-3:O-2:H-1:H-1:	N-2:O-2:O-1:O-1:	O(CC[4]HH)(SNOO)	C(C[4]C[4]2)(OS)(H)2	S(NC)(OC)(O)2	O(CC[4]HH)(SNOO)	C(C[4]C[4]2)(OS)(H)2	S(NC)(OC)(O)2	117.9570	0.944	4	117.9570	0.890	4	117.9570	0.890	4	118.0342	0.698	5	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	3:2:1:1:	3:2:1:1:	C-4:S-4:	C[6a]-3:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]N[6a])(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(CC[6a]HH)(SC[6a]OO)	C(C[6a]C[6a]N[6a])(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	116.6120	0.000	1	116.6120	0.000	1	116.6120	0.000	1	117.5200	0.622	3	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	3:2:1:1:	3:2:1:1:	S-4:C-4:	C-3:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CCHH)	C(CCO)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CCHH)	C(CCO)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	117.9740	0.085	2	117.9740	0.007	2	117.9740	0.007	2	117.5200	0.622	3	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	3:2:1:1:	4:2:1:1:	C-4:S-4:	C[6a]-3:O-2:H-1:H-1:	C-4:O-2:O-1:O-1:	O(CC[6a]HH)(SCOO)	C(C[6a]C[6a]2)(OS)(H)2	S(CH3)(OC)(O)2	O(CC[6a]HH)(SCOO)	C(C[6a]C[6a]2)(OS)(H)2	S(CH3)(OC)(O)2	118.4135	0.288	2	118.4135	0.083	2	118.4135	0.083	2	118.4135	0.083	2	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	3:3:2:1:	3:2:1:1:	C-4:S-4:	C[6a]-3:C-3:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(COO)(OS)(H)	S(C[6a]C[6a]2)(OC)(O)2	O(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(COO)(OS)(H)	S(C[6a]C[6a]2)(OC)(O)2	118.8560	1.039	2	118.8560	1.080	2	118.8560	1.080	2	118.8560	1.080	2	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	3:4:2:1:	3:2:1:1:	C-4:S-4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(CCl3)(OS)(H)	S(C[6a]C[6a]2)(OC)(O)2	O(CC[6a]CH)(SC[6a]OO)	C(C[6a]C[6a]2)(CCl3)(OS)(H)	S(C[6a]C[6a]2)(OC)(O)2	119.2400	0.000	1	119.2400	0.000	1	119.2400	0.000	1	119.2400	0.000	1	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	2:1:1:1:	C-4:S-4:	C-4:O-2:H-1:H-1:	O-2:O-1:O-1:O-1:	O(CCHH)(SO3)	C(CCHN)(OS)(H)2	S(OC)(O)3	O(CCHH)(SO3)	C(CCHN)(OS)(H)2	S(OC)(O)3	114.9580	0.000	1	114.9580	0.000	1	116.5091	2.494	9	116.5091	2.494	9	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	2:1:1:1:	C-4:S-4:	C-4:O-2:H-1:H-1:	O-2:O-1:O-1:O-1:	O(CCHH)(SO3)	C(CH3)(OS)(H)2	S(OC)(O)3	O(CCHH)(SO3)	C(CH3)(OS)(H)2	S(OC)(O)3	116.7030	1.570	8	116.7030	2.463	8	116.5091	2.494	9	116.5091	2.494	9	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	2:2:1:1:	C-4:S-4:	C-4:O-2:H-1:H-1:	N-2:O-2:O-1:O-1:	O(CCHH)(SNOO)	C(CCHH)(OS)(H)2	S(NC)(OC)(O)2	O(CCHH)(SNOO)	C(CCHH)(OS)(H)2	S(NC)(OC)(O)2	117.3900	0.000	1	117.3900	0.000	1	117.8496	4.820	5	117.5868	2.517	20	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	2:2:1:1:	C-4:S-4:	C-4:O-2:H-1:H-1:	N-2:O-2:O-1:O-1:	O(CCHH)(SNOO)	C(CCl3)(OS)(H)2	S(NC)(OC)(O)2	O(CCHH)(SNOO)	C(CCl3)(OS)(H)2	S(NC)(OC)(O)2	116.7720	0.000	1	116.7720	0.000	1	117.8496	4.820	5	117.5868	2.517	20	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	2:2:1:1:	C-4:S-4:	C-4:O-2:H-1:H-1:	N-2:O-2:O-1:O-1:	O(CCHH)(SNOO)	C(CCl3)(OS)(H)2	S(NC[6])(OC)(O)2	O(CCHH)(SNOO)	C(CCl3)(OS)(H)2	S(NC[6])(OC)(O)2	119.3335	3.385	2	119.3335	11.458	2	117.8496	4.820	5	117.5868	2.517	20	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	2:2:1:1:	C-4:S-4:	C-4:O-2:H-1:H-1:	N-2:O-2:O-1:O-1:	O(CCHH)(SNOO)	C(CH3)(OS)(H)2	S(NC[5])(OC)(O)2	O(CCHH)(SNOO)	C(CH3)(OS)(H)2	S(NC[5])(OC)(O)2	116.4190	0.000	1	116.4190	0.000	1	117.8496	4.820	5	117.5868	2.517	20	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	2:2:1:1:	C-4:S-4:	C-4:O-2:H-1:H-1:	O-2:O-2:O-1:O-1:	O(CCHH)(SO3)	C(CCHH)(OS)(H)2	S(OC)2(O)2	O(CCHH)(SO3)	C(CCHH)(OS)(H)2	S(OC)2(O)2	118.8593	0.911	3	118.8593	0.830	3	117.4991	2.006	15	117.5868	2.517	20	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	2:2:1:1:	C-4:S-4:	C-4:O-2:H-1:H-1:	O-2:O-2:O-1:O-1:	O(CCHH)(SO3)	C(CCl3)(OS)(H)2	S(OC[6a])(OC)(O)2	O(CCHH)(SO3)	C(CCl3)(OS)(H)2	S(OC[6a])(OC)(O)2	116.8091	1.013	10	116.8091	1.027	10	117.4991	2.006	15	117.5868	2.517	20	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	2:2:1:1:	C-4:S-4:	C-4:O-2:H-1:H-1:	O-2:O-2:O-1:O-1:	O(CCHH)(SO3)	C(CH3)(OS)(H)2	S(OC)2(O)2	O(CCHH)(SO3)	C(CH3)(OS)(H)2	S(OC)2(O)2	118.9090	1.704	2	118.9090	2.904	2	117.4991	2.006	15	117.5868	2.517	20	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	C-4:S-4:	C-4:O-2:H-1:H-1:	N-3:O-2:O-1:O-1:	O(CCHH)(SNOO)	C(CCHH)(OS)(H)2	S(NCH)(OC)(O)2	O(CCHH)(SNOO)	C(CCHH)(OS)(H)2	S(NCH)(OC)(O)2	117.6435	0.868	4	117.6435	0.753	4	118.1661	2.152	23	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	C-4:S-4:	C-4:O-2:H-1:H-1:	N-3:O-2:O-1:O-1:	O(CCHH)(SNOO)	C(CCHH)(OS)(H)2	S(NCS)(OC)(O)2	O(CCHH)(SNOO)	C(CCHH)(OS)(H)2	S(NCS)(OC)(O)2	118.8530	0.000	1	118.8530	0.000	1	118.1661	2.152	23	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	C-4:S-4:	C-4:O-2:H-1:H-1:	N-3:O-2:O-1:O-1:	O(CCHH)(SNOO)	C(CC[3,5]HH)(OS)(H)2	S(NC[5]H)(OC)(O)2	O(CCHH)(SNOO)	C(CC[3,5]HH)(OS)(H)2	S(NC[5]H)(OC)(O)2	121.0680	0.000	1	121.0680	0.000	1	118.1661	2.152	23	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	C-4:S-4:	C-4:O-2:H-1:H-1:	N-3:O-2:O-1:O-1:	O(CCHH)(SNOO)	C(CC[3,6]HH)(OS)(H)2	S(NC[6]H)(OC)(O)2	O(CCHH)(SNOO)	C(CC[3,6]HH)(OS)(H)2	S(NC[6]H)(OC)(O)2	119.0830	0.284	2	119.0830	0.081	2	118.1661	2.152	23	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	C-4:S-4:	C-4:O-2:H-1:H-1:	N-3:O-2:O-1:O-1:	O(CCHH)(SNOO)	C(CC[3]HH)(OS)(H)2	S(NC[3]H)(OC)(O)2	O(CCHH)(SNOO)	C(CC[3]HH)(OS)(H)2	S(NC[3]H)(OC)(O)2	117.6025	0.590	2	117.6025	0.349	2	118.1661	2.152	23	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	C-4:S-4:	C-4:O-2:H-1:H-1:	N-3:O-2:O-1:O-1:	O(CCHH)(SNOO)	C(CC[5]HH)(OS)(H)2	S(NC[5]H)(OC)(O)2	O(CCHH)(SNOO)	C(CC[5]HH)(OS)(H)2	S(NC[5]H)(OC)(O)2	118.1395	0.325	2	118.1395	0.105	2	118.1661	2.152	23	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	C-4:S-4:	C-4:O-2:H-1:H-1:	N-3:O-2:O-1:O-1:	O(CCHH)(SNOO)	C(CCl3)(OS)(H)2	S(NCH)(OC)(O)2	O(CCHH)(SNOO)	C(CCl3)(OS)(H)2	S(NCH)(OC)(O)2	118.2687	1.573	8	118.2687	2.475	8	118.1661	2.152	23	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	C-4:S-4:	C-4:O-2:H-1:H-1:	N-3:O-2:O-1:O-1:	O(CCHH)(SNOO)	C(CCl3)(OS)(H)2	S(NC[5]H)(OC)(O)2	O(CCHH)(SNOO)	C(CCl3)(OS)(H)2	S(NC[5]H)(OC)(O)2	118.5775	0.306	2	118.5775	0.094	2	118.1661	2.152	23	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	C-4:S-4:	C-4:O-2:H-1:H-1:	N-3:O-2:O-1:O-1:	O(CCHH)(SNOO)	C(CCl3)(OS)(H)2	S(NC[6]H)(OC)(O)2	O(CCHH)(SNOO)	C(CCl3)(OS)(H)2	S(NC[6]H)(OC)(O)2	114.3700	0.000	1	114.3700	0.000	1	118.1661	2.152	23	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	C-4:S-4:	C[3,6]-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(CC[3,6]HH)(SC[6a]OO)	C(C[3,6]C[3,6]C[6]O[3])(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(CC[3,6]HH)(SC[6a]OO)	C(C[3,6]C[3,6]C[6]O[3])(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	116.8370	0.000	1	116.8370	0.000	1	116.8370	0.000	1	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	C-4:S-4:	C[3x6]-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(CC[3x6]HH)(SC[6a]OO)	C(C[3x6]C[6,6]3)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(CC[3x6]HH)(SC[6a]OO)	C(C[3x6]C[6,6]3)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	116.9660	0.000	1	116.9660	0.000	1	116.9660	0.000	1	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	C-4:S-4:	C[5,6]-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(CC[5,6]HH)(SC[6a]OO)	C(C[5,6]C[5,5,6]C[5,6]H)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(CC[5,6]HH)(SC[6a]OO)	C(C[5,6]C[5,5,6]C[5,6]H)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	118.0345	1.049	2	118.0345	1.100	2	117.8812	0.767	5	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	C-4:S-4:	C[5,6]-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(CC[5,6]HH)(SC[6a]OO)	C(C[5,6]C[5,6]O[5]O[6])(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(CC[5,6]HH)(SC[6a]OO)	C(C[5,6]C[5,6]O[5]O[6])(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	117.9105	1.337	2	117.9105	1.788	2	117.8812	0.767	5	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	C-4:S-4:	C[5,6]-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(CC[5,6]HH)(SC[6a]OO)	C(C[5,6]C[5,6a]C[5,6]O[6])(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(CC[5,6]HH)(SC[6a]OO)	C(C[5,6]C[5,6a]C[5,6]O[6])(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	117.5160	0.000	1	117.5160	0.000	1	117.8812	0.767	5	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	C-4:S-4:	C[5,6]-4:O-2:H-1:H-1:	N-3:O-2:O-1:O-1:	O(CC[5,6]HH)(SNOO)	C(C[5,6]C[5,6]O[5]O[6])(OS)(H)2	S(NCH)(OC)(O)2	O(CC[5,6]HH)(SNOO)	C(C[5,6]C[5,6]O[5]O[6])(OS)(H)2	S(NCH)(OC)(O)2	118.6380	0.000	1	118.6380	0.000	1	118.6380	0.000	1	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	C-4:S-4:	C[5]-4:O-2:H-1:H-1:	N-3:O-2:O-1:O-1:	O(CC[5]HH)(SNOO)	C(C[5]C[5]O[5]H)(OS)(H)2	S(NC[5]H)(OC)(O)2	O(CC[5]HH)(SNOO)	C(C[5]C[5]O[5]H)(OS)(H)2	S(NC[5]H)(OC)(O)2	116.2320	0.477	2	116.2320	0.227	2	116.2320	0.227	2	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	C-4:S-4:	C[6]-4:O-2:H-1:H-1:	N-3:O-2:O-1:O-1:	O(CC[6]HH)(SNOO)	C(C[6]C[6]N[6]H)(OS)(H)2	S(NC[6]H)(OC)(O)2	O(CC[6]HH)(SNOO)	C(C[6]C[6]N[6]H)(OS)(H)2	S(NC[6]H)(OC)(O)2	118.5145	0.155	2	118.5145	0.024	2	118.2112	0.176	5	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	C-4:S-4:	C[6]-4:O-2:H-1:H-1:	N-3:O-2:O-1:O-1:	O(CC[6]HH)(SNOO)	C(C[6]C[6]N[6]H)(OS)(H)2	S(NHH)(OC)(O)2	O(CC[6]HH)(SNOO)	C(C[6]C[6]N[6]H)(OS)(H)2	S(NHH)(OC)(O)2	117.9235	0.573	2	117.9235	0.329	2	118.2112	0.176	5	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	C-4:S-4:	C[6]-4:O-2:H-1:H-1:	N-3:O-2:O-1:O-1:	O(CC[6]HH)(SNOO)	C(C[6]C[6]O[6]H)(OS)(H)2	S(NHH)(OC)(O)2	O(CC[6]HH)(SNOO)	C(C[6]C[6]O[6]H)(OS)(H)2	S(NHH)(OC)(O)2	118.1800	0.000	1	118.1800	0.000	1	118.2112	0.176	5	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CCHH)	C(CBrCH)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CCHH)	C(CBrCH)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	116.3840	0.000	1	116.3840	0.000	1	117.5825	1.283	65	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CCHH)	C(CC3)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CCHH)	C(CC3)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	117.2319	0.871	23	117.2319	0.758	23	117.5825	1.283	65	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CCHH)	C(CCCH)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CCHH)	C(CCCH)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	117.2583	1.040	4	117.2583	1.082	4	117.5825	1.283	65	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CCHH)	C(CCFH)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CCHH)	C(CCFH)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	118.8730	0.000	1	118.8730	0.000	1	117.5825	1.283	65	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CCHH)	C(CCHH)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CCHH)	C(CCHH)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	117.5653	0.714	6	117.5653	0.509	6	117.5825	1.283	65	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CCHH)	C(CCHN)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CCHH)	C(CCHN)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	116.1175	0.460	2	116.1175	0.212	2	117.5825	1.283	65	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CCHH)	C(CC[5,5]HH)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CCHH)	C(CC[5,5]HH)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	118.5540	0.000	1	118.5540	0.000	1	117.5825	1.283	65	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CCHH)	C(CC[5]CH)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CCHH)	C(CC[5]CH)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	117.3040	0.000	1	117.3040	0.000	1	117.5825	1.283	65	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CCHH)	C(CC[5]HH)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CCHH)	C(CC[5]HH)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	119.0490	0.000	1	119.0490	0.000	1	117.5825	1.283	65	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CCHH)	C(CC[5a]HH)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CCHH)	C(CC[5a]HH)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	117.2830	1.172	2	117.2830	1.374	2	117.5825	1.283	65	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CCHH)	C(CC[6]CH)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CCHH)	C(CC[6]CH)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	119.1210	0.000	1	119.1210	0.000	1	117.5825	1.283	65	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CCHH)	C(CC[6]HH)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CCHH)	C(CC[6]HH)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	117.8855	1.356	2	117.8855	1.837	2	117.5825	1.283	65	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CCHH)	C(CC[6a]CC)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CCHH)	C(CC[6a]CC)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	118.4440	1.428	2	118.4440	2.040	2	117.5825	1.283	65	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CCHH)	C(CC[6a]CH)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CCHH)	C(CC[6a]CH)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	121.0030	0.000	1	121.0030	0.000	1	117.5825	1.283	65	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CCHH)	C(CC[6a]CN)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CCHH)	C(CC[6a]CN)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	116.9920	0.000	1	116.9920	0.000	1	117.5825	1.283	65	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CCHH)	C(CC[6a]CO)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CCHH)	C(CC[6a]CO)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	115.4860	0.000	1	115.4860	0.000	1	117.5825	1.283	65	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CCHH)	C(CC[6a]HH)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CCHH)	C(CC[6a]HH)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	118.2380	0.000	1	118.2380	0.000	1	117.5825	1.283	65	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CCHH)	C(CF3)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CCHH)	C(CF3)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	117.8870	0.000	1	117.8870	0.000	1	117.5825	1.283	65	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CCHH)	C(CHHN)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CCHH)	C(CHHN)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	117.7055	0.614	6	117.7055	0.377	6	117.5825	1.283	65	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CCHH)	C(CHHO)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CCHH)	C(CHHO)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	118.1947	1.696	6	118.1947	2.876	6	117.5825	1.283	65	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CCHH)	C(CN[5]HH)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CCHH)	C(CN[5]HH)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	118.3540	0.000	1	118.3540	0.000	1	117.5825	1.283	65	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:P-1:	O(SC[6a]OP)(CCHH)	C(CH3)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)(P)	O(SC[6a]OP)(CCHH)	C(CH3)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)(P)	119.0140	0.000	1	119.0140	0.000	1	119.0140	0.000	1	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C-4:O-2:H-1:H-1:	N[3]-3:O-2:O-1:O-1:	O(SN[3]OO)(CCHH)	C(CCHH)(OS)(H)2	S(N[3]C[3]2)(OC)(O)2	O(SN[3]OO)(CCHH)	C(CCHH)(OS)(H)2	S(N[3]C[3]2)(OC)(O)2	119.9653	0.740	6	119.9653	0.547	6	119.6520	1.143	7	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C-4:O-2:H-1:H-1:	N[3]-3:O-2:O-1:O-1:	O(SN[3]OO)(CCHH)	C(CCl3)(OS)(H)2	S(N[3]C[3]2)(OC)(O)2	O(SN[3]OO)(CCHH)	C(CCl3)(OS)(H)2	S(N[3]C[3]2)(OC)(O)2	117.7720	0.000	1	117.7720	0.000	1	119.6520	1.143	7	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C-4:O-2:H-1:H-1:	N[5]-3:O-2:O-1:O-1:	O(SN[5]OO)(CCHH)	C(CCHH)(OS)(H)2	S(N[5]C[5]2)(OC)(O)2	O(SN[5]OO)(CCHH)	C(CCHH)(OS)(H)2	S(N[5]C[5]2)(OC)(O)2	118.0620	0.000	1	118.0620	0.000	1	116.4682	2.119	4	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C-4:O-2:H-1:H-1:	N[5]-3:O-2:O-1:O-1:	O(SN[5]OO)(CCHH)	C(CCl3)(OS)(H)2	S(N[5]C[4,5]C[5])(OC)(O)2	O(SN[5]OO)(CCHH)	C(CCl3)(OS)(H)2	S(N[5]C[4,5]C[5])(OC)(O)2	115.2380	0.194	2	115.2380	0.038	2	116.4682	2.119	4	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C-4:O-2:H-1:H-1:	N[5]-3:O-2:O-1:O-1:	O(SN[5]OO)(CCHH)	C(CCl3)(OS)(H)2	S(N[5]C[5,5]C[5])(OC)(O)2	O(SN[5]OO)(CCHH)	C(CCl3)(OS)(H)2	S(N[5]C[5,5]C[5])(OC)(O)2	117.3350	0.000	1	117.3350	0.000	1	116.4682	2.119	4	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C-4:O-2:H-1:H-1:	N[6]-3:O-2:O-1:O-1:	O(SN[6]OO)(CCHH)	C(CC[6]HH)(OS)(H)2	S(N[6]C[6]2)(OC)(O)2	O(SN[6]OO)(CCHH)	C(CC[6]HH)(OS)(H)2	S(N[6]C[6]2)(OC)(O)2	118.3360	0.000	2	118.3360	0.000	2	117.5847	1.694	3	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C-4:O-2:H-1:H-1:	N[6]-3:O-2:O-1:O-1:	O(SN[6]OO)(CCHH)	C(CCl3)(OS)(H)2	S(N[6]C[5,6]C[6])(OC)(O)2	O(SN[6]OO)(CCHH)	C(CCl3)(OS)(H)2	S(N[6]C[5,6]C[6])(OC)(O)2	116.0820	0.000	1	116.0820	0.000	1	117.5847	1.694	3	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CC[5]HH)	C(C[5]C[5]2H)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CC[5]HH)	C(C[5]C[5]2H)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	118.2027	1.131	3	118.2027	1.278	3	117.8634	1.175	24	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CC[5]HH)	C(C[5]C[5]N[5]H)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CC[5]HH)	C(C[5]C[5]N[5]H)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	118.3820	0.000	1	118.3820	0.000	1	117.8634	1.175	24	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CC[5]HH)	C(C[5]C[5]O[5]C)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CC[5]HH)	C(C[5]C[5]O[5]C)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	117.8387	0.895	3	117.8387	0.801	3	117.8634	1.175	24	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CC[5]HH)	C(C[5]C[5]O[5]H)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CC[5]HH)	C(C[5]C[5]O[5]H)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	117.7774	1.176	17	117.7774	1.383	17	117.8634	1.175	24	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CC[6]HH)	C(C[6]C[6,6a]C[6]H)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CC[6]HH)	C(C[6]C[6,6a]C[6]H)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	118.5020	0.638	3	118.5020	0.406	3	118.1081	1.340	16	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CC[6]HH)	C(C[6]C[6,6a]O[6]C)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CC[6]HH)	C(C[6]C[6,6a]O[6]C)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	117.8150	0.000	1	117.8150	0.000	1	118.1081	1.340	16	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CC[6]HH)	C(C[6]C[6]2C)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CC[6]HH)	C(C[6]C[6]2C)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	117.2335	0.361	2	117.2335	0.131	2	118.1081	1.340	16	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CC[6]HH)	C(C[6]C[6]2H)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CC[6]HH)	C(C[6]C[6]2H)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	117.9226	1.011	5	117.9226	1.022	5	118.1081	1.340	16	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:2:1:1:	S-4:C-4:	C[6]-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CC[6]HH)	C(C[6]C[6]O[6]H)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CC[6]HH)	C(C[6]C[6]O[6]H)(OS)(H)2	S(C[6a]C[6a]2)(OC)(O)2	118.4658	1.745	5	118.4658	3.044	5	118.1081	1.340	16	117.8462	1.564	158	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	3:3:4:2:	S-4:C-4:	C[5]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O(SC[6a]2C)(CC[5]HH)	C(C[5]C[5]2C)(OS)(H)2	S(C[6a]C[6a]2)2(CC3)(OC)	O(SC[6a]2C)(CC[5]HH)	C(C[5]C[5]2C)(OS)(H)2	S(C[6a]C[6a]2)2(CC3)(OC)	124.8280	0.000	1	124.8280	0.000	1	124.8280	0.000	1	124.8280	0.000	1	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	4:2:1:1:	C-4:S-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-1:O-1:	O(CCHH)(SCOO)	C(CC3)(OS)(H)2	S(CC[5,5,6]HH)(OC)(O)2	O(CCHH)(SCOO)	C(CC3)(OS)(H)2	S(CC[5,5,6]HH)(OC)(O)2	120.1955	0.907	2	120.1955	0.823	2	118.5147	1.711	24	118.6743	1.912	33	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	4:2:1:1:	C-4:S-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-1:O-1:	O(CCHH)(SCOO)	C(CC3)(OS)(H)2	S(CC[6a]CH)(OC)(O)2	O(CCHH)(SCOO)	C(CC3)(OS)(H)2	S(CC[6a]CH)(OC)(O)2	117.9485	0.141	2	117.9485	0.020	2	118.5147	1.711	24	118.6743	1.912	33	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	4:2:1:1:	C-4:S-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-1:O-1:	O(CCHH)(SCOO)	C(CCCH)(OS)(H)2	S(CH3)(OC)(O)2	O(CCHH)(SCOO)	C(CCCH)(OS)(H)2	S(CH3)(OC)(O)2	120.1140	0.000	1	120.1140	0.000	1	118.5147	1.711	24	118.6743	1.912	33	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	4:2:1:1:	C-4:S-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-1:O-1:	O(CCHH)(SCOO)	C(CCCN)(OS)(H)2	S(CH3)(OC)(O)2	O(CCHH)(SCOO)	C(CCCN)(OS)(H)2	S(CH3)(OC)(O)2	119.4120	0.000	1	119.4120	0.000	1	118.5147	1.711	24	118.6743	1.912	33	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	4:2:1:1:	C-4:S-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-1:O-1:	O(CCHH)(SCOO)	C(CCHH)(OS)(H)2	S(CH3)(OC)(O)2	O(CCHH)(SCOO)	C(CCHH)(OS)(H)2	S(CH3)(OC)(O)2	118.2153	1.658	3	118.2153	2.750	3	118.5147	1.711	24	118.6743	1.912	33	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	4:2:1:1:	C-4:S-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-1:O-1:	O(CCHH)(SCOO)	C(CC[5]HO)(OS)(H)2	S(CH3)(OC)(O)2	O(CCHH)(SCOO)	C(CC[5]HO)(OS)(H)2	S(CH3)(OC)(O)2	118.2800	2.475	2	118.2800	6.125	2	118.5147	1.711	24	118.6743	1.912	33	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	4:2:1:1:	C-4:S-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-1:O-1:	O(CCHH)(SCOO)	C(CC[5a]CH)(OS)(H)2	S(CH3)(OC)(O)2	O(CCHH)(SCOO)	C(CC[5a]CH)(OS)(H)2	S(CH3)(OC)(O)2	120.2670	0.000	1	120.2670	0.000	1	118.5147	1.711	24	118.6743	1.912	33	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	4:2:1:1:	C-4:S-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-1:O-1:	O(CCHH)(SCOO)	C(CC[6]HO)(OS)(H)2	S(CH3)(OC)(O)2	O(CCHH)(SCOO)	C(CC[6]HO)(OS)(H)2	S(CH3)(OC)(O)2	116.8970	0.000	1	116.8970	0.000	1	118.5147	1.711	24	118.6743	1.912	33	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	4:2:1:1:	C-4:S-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-1:O-1:	O(CCHH)(SCOO)	C(CC[6a]N[5a]H)(OS)(H)2	S(CH3)(OC)(O)2	O(CCHH)(SCOO)	C(CC[6a]N[5a]H)(OS)(H)2	S(CH3)(OC)(O)2	117.9770	0.000	1	117.9770	0.000	1	118.5147	1.711	24	118.6743	1.912	33	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	4:2:1:1:	C-4:S-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-1:O-1:	O(CCHH)(SCOO)	C(CClHH)(OS)(H)2	S(CHHS)(OC)(O)2	O(CCHH)(SCOO)	C(CClHH)(OS)(H)2	S(CHHS)(OC)(O)2	118.4490	0.000	1	118.4490	0.000	1	118.5147	1.711	24	118.6743	1.912	33	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	4:2:1:1:	C-4:S-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-1:O-1:	O(CCHH)(SCOO)	C(CF3)(OS)(H)2	S(CCHH)(OC)(O)2	O(CCHH)(SCOO)	C(CF3)(OS)(H)2	S(CCHH)(OC)(O)2	119.6310	0.000	1	119.6310	0.000	1	118.5147	1.711	24	118.6743	1.912	33	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	4:2:1:1:	C-4:S-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-1:O-1:	O(CCHH)(SCOO)	C(CHHN)(OS)(H)2	S(CH3)(OC)(O)2	O(CCHH)(SCOO)	C(CHHN)(OS)(H)2	S(CH3)(OC)(O)2	118.3563	1.146	3	118.3563	1.314	3	118.5147	1.711	24	118.6743	1.912	33	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	4:2:1:1:	C-4:S-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-1:O-1:	O(CCHH)(SCOO)	C(CHHO)(OS)(H)2	S(CCHH)(OC)(O)2	O(CCHH)(SCOO)	C(CHHO)(OS)(H)2	S(CCHH)(OC)(O)2	118.6230	0.000	1	118.6230	0.000	1	118.5147	1.711	24	118.6743	1.912	33	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	4:2:1:1:	C-4:S-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-1:O-1:	O(CCHH)(SCOO)	C(CN[5a]3)(OS)(H)2	S(CH3)(OC)(O)2	O(CCHH)(SCOO)	C(CN[5a]3)(OS)(H)2	S(CH3)(OC)(O)2	116.6570	0.000	2	116.6570	0.000	2	118.5147	1.711	24	118.6743	1.912	33	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	4:2:1:1:	C-4:S-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-1:O-1:	O(CCHH)(SCOO)	C(CN[5a]HH)(OS)(H)2	S(CH3)(OC)(O)2	O(CCHH)(SCOO)	C(CN[5a]HH)(OS)(H)2	S(CH3)(OC)(O)2	118.5525	0.021	2	118.5525	0.000	2	118.5147	1.711	24	118.6743	1.912	33	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	4:2:1:1:	C-4:S-4:	C[3x4,3x6]-4:O-2:H-1:H-1:	C-4:O-2:O-1:O-1:	O(CC[3x4,3x6]HH)(SCOO)	C(C[3x4,3x6]C[3x4,3x6]3)(OS)(H)2	S(CH3)(OC)(O)2	O(CC[3x4,3x6]HH)(SCOO)	C(C[3x4,3x6]C[3x4,3x6]3)(OS)(H)2	S(CH3)(OC)(O)2	118.0130	0.000	1	118.0130	0.000	1	118.0130	0.000	1	118.6743	1.912	33	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	4:2:1:1:	C-4:S-4:	C[5,5,6]-4:O-2:H-1:H-1:	C-4:O-2:O-1:O-1:	O(CC[5,5,6]HH)(SCOO)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OS)(H)2	S(CH3)(OC)(O)2	O(CC[5,5,6]HH)(SCOO)	C(C[5,5,6]C[5,5]C[5,6]O[5,6])(OS)(H)2	S(CH3)(OC)(O)2	120.2460	0.000	1	120.2460	0.000	1	120.2460	0.000	1	118.6743	1.912	33	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	4:2:1:1:	C-4:S-4:	C[5,5]-4:O-2:H-1:H-1:	C-4:O-2:O-1:O-1:	O(CC[5,5]HH)(SCOO)	C(C[5,5]C[5,5]C[5]O[5])(OS)(H)2	S(CF3)(OC)(O)2	O(CC[5,5]HH)(SCOO)	C(C[5,5]C[5,5]C[5]O[5])(OS)(H)2	S(CF3)(OC)(O)2	120.1110	0.000	1	120.1110	0.000	1	120.4170	0.187	2	118.6743	1.912	33	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	4:2:1:1:	C-4:S-4:	C[5,5]-4:O-2:H-1:H-1:	C-4:O-2:O-1:O-1:	O(CC[5,5]HH)(SCOO)	C(C[5,5]C[5,5]C[5]O[5])(OS)(H)2	S(CH3)(OC)(O)2	O(CC[5,5]HH)(SCOO)	C(C[5,5]C[5,5]C[5]O[5])(OS)(H)2	S(CH3)(OC)(O)2	120.7230	0.000	1	120.7230	0.000	1	120.4170	0.187	2	118.6743	1.912	33	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	4:2:1:1:	C-4:S-4:	C[5]-4:O-2:H-1:H-1:	C-4:O-2:O-1:O-1:	O(CC[5]HH)(SCOO)	C(C[5]C[5,5]C[5]H)(OS)(H)2	S(CH3)(OC)(O)2	O(CC[5]HH)(SCOO)	C(C[5]C[5,5]C[5]H)(OS)(H)2	S(CH3)(OC)(O)2	117.0010	0.000	1	117.0010	0.000	1	117.9052	1.131	4	118.6743	1.912	33	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	4:2:1:1:	C-4:S-4:	C[5]-4:O-2:H-1:H-1:	C-4:O-2:O-1:O-1:	O(CC[5]HH)(SCOO)	C(C[5]C[5]O[5]C)(OS)(H)2	S(CH3)(OC)(O)2	O(CC[5]HH)(SCOO)	C(C[5]C[5]O[5]C)(OS)(H)2	S(CH3)(OC)(O)2	117.6150	0.451	2	117.6150	0.204	2	117.9052	1.131	4	118.6743	1.912	33	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	4:2:1:1:	C-4:S-4:	C[5]-4:O-2:H-1:H-1:	C-4:O-2:O-1:O-1:	O(CC[5]HH)(SCOO)	C(C[5]C[5]O[5]H)(OS)(H)2	S(CH3)(OC)(O)2	O(CC[5]HH)(SCOO)	C(C[5]C[5]O[5]H)(OS)(H)2	S(CH3)(OC)(O)2	119.3900	0.000	1	119.3900	0.000	1	117.9052	1.131	4	118.6743	1.912	33	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	4:2:1:1:	C-4:S-4:	C[6]-4:O-2:H-1:H-1:	C-4:O-2:O-1:O-1:	O(CC[6]HH)(SCOO)	C(C[6]C[6]O[6]H)(OS)(H)2	S(CH3)(OC)(O)2	O(CC[6]HH)(SCOO)	C(C[6]C[6]O[6]H)(OS)(H)2	S(CH3)(OC)(O)2	121.1860	0.000	1	121.1860	0.000	1	121.1860	0.000	1	118.6743	1.912	33	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	4:2:2:1:	C-4:S-4:	C-4:O-2:H-1:H-1:	C-4:N-2:O-2:O-1:	O(CCHH)(SCNO)	C(CC3)(OS)(H)2	S(CH3)(NC)(OC)(O)	O(CCHH)(SCNO)	C(CC3)(OS)(H)2	S(CH3)(NC)(OC)(O)	116.7370	0.000	1	116.7370	0.000	1	116.7370	0.000	1	116.7370	0.000	1	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:1:1:	4:4:4:2:	C-4:S-4:	C[5,6]-4:O-2:H-1:H-1:	C-4:C-4:C-4:O-2:	O(CC[5,6]HH)(SC3)	C(C[5,6]C[5,6]C[6]O[5])(OS)(H)2	S(CC3)(CH3)2(OC)	O(CC[5,6]HH)(SC3)	C(C[5,6]C[5,6]C[6]O[5])(OS)(H)2	S(CC3)(CH3)2(OC)	123.6860	0.000	1	123.6860	0.000	1	123.6860	0.000	1	123.6860	0.000	1	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:2:1:	3:2:1:1:	C-4:S-4:	C[5,5]-4:C-2:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(CC[5,5]CH)(SC[6a]OO)	C(C[5,5]C[5,5]O[5]2)(CN)(OS)(H)	S(C[6a]C[6a]2)(OC)(O)2	O(CC[5,5]CH)(SC[6a]OO)	C(C[5,5]C[5,5]O[5]2)(CN)(OS)(H)	S(C[6a]C[6a]2)(OC)(O)2	118.3430	0.000	1	118.3430	0.000	1	118.3430	0.000	1	118.8115	0.439	2	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:2:2:1:	3:2:1:1:	S-4:C-4:	C-4:C-2:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CCCH)	C(CCHH)(CN)(OS)(H)	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CCCH)	C(CCHH)(CN)(OS)(H)	S(C[6a]C[6a]2)(OC)(O)2	119.2800	0.000	1	119.2800	0.000	1	119.2800	0.000	1	118.8115	0.439	2	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:3:2:1:	3:2:1:1:	C-4:S-4:	C[6,6]-4:C[6a]-3:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(CC[6,6]C[6a]H)(SC[6a]OO)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OS)(H)	S(C[6a]C[6a]2)(OC)(O)2	O(CC[6,6]C[6a]H)(SC[6a]OO)	C(C[6,6]C[6,6]N[3x6]H)(C[6a]C[6a,6a]C[6a])(OS)(H)	S(C[6a]C[6a]2)(OC)(O)2	119.0385	0.921	2	119.0385	0.849	2	119.0385	0.849	2	119.3154	1.493	8	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:3:2:1:	3:2:1:1:	S-4:C-4:	C-4:C-3:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CCCH)	C(CCHH)(COO)(OS)(H)	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CCCH)	C(CCHH)(COO)(OS)(H)	S(C[6a]C[6a]2)(OC)(O)2	120.0430	0.000	1	120.0430	0.000	1	119.5632	2.169	5	119.3154	1.493	8	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:3:2:1:	3:2:1:1:	S-4:C-4:	C-4:C-3:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CCCH)	C(CCHO)(COO)(OS)(H)	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CCCH)	C(CCHO)(COO)(OS)(H)	S(C[6a]C[6a]2)(OC)(O)2	120.7540	0.976	2	120.7540	0.952	2	119.5632	2.169	5	119.3154	1.493	8	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:3:2:1:	3:2:1:1:	S-4:C-4:	C-4:C-3:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CCCH)	C(CC[5a]HH)(COO)(OS)(H)	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CCCH)	C(CC[5a]HH)(COO)(OS)(H)	S(C[6a]C[6a]2)(OC)(O)2	117.6020	0.000	1	117.6020	0.000	1	119.5632	2.169	5	119.3154	1.493	8	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:3:2:1:	3:2:1:1:	S-4:C-4:	C-4:C-3:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CCCH)	C(CH3)(COO)(OS)(H)	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CCCH)	C(CH3)(COO)(OS)(H)	S(C[6a]C[6a]2)(OC)(O)2	118.6630	0.000	1	118.6630	0.000	1	119.5632	2.169	5	119.3154	1.493	8	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:3:2:1:	3:2:1:1:	S-4:C-4:	C[6]-4:C-3:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CC[6]CH)	C(C[6]C[6]O[6]C)(COO)(OS)(H)	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CC[6]CH)	C(C[6]C[6]O[6]C)(COO)(OS)(H)	S(C[6a]C[6a]2)(OC)(O)2	118.6300	0.000	1	118.6300	0.000	1	118.6300	0.000	1	119.3154	1.493	8	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:3:2:1:	4:2:1:1:	C-4:S-4:	C-4:C-3:O-2:H-1:	C-4:O-2:O-1:O-1:	O(CCCH)(SCOO)	C(CCCH)(CNO)(OS)(H)	S(CH3)(OC)(O)2	O(CCCH)(SCOO)	C(CCCH)(CNO)(OS)(H)	S(CH3)(OC)(O)2	118.1560	0.000	1	118.1560	0.000	1	118.9223	0.996	3	119.7080	2.588	5	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:3:2:1:	4:2:1:1:	C-4:S-4:	C-4:C-3:O-2:H-1:	C-4:O-2:O-1:O-1:	O(CCCH)(SCOO)	C(CH3)(CNO)(OS)(H)	S(CH3)(OC)(O)2	O(CCCH)(SCOO)	C(CH3)(CNO)(OS)(H)	S(CH3)(OC)(O)2	119.3055	1.054	2	119.3055	1.112	2	118.9223	0.996	3	119.7080	2.588	5	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:3:2:1:	4:2:1:1:	C-4:S-4:	C[5]-4:C-3:O-2:H-1:	C-4:O-2:O-1:O-1:	O(CC[5]CH)(SCOO)	C(C[5]C[5,6a]C[5]N)(CCO)(OS)(H)	S(CH3)(OC)(O)2	O(CC[5]CH)(SCOO)	C(C[5]C[5,6a]C[5]N)(CCO)(OS)(H)	S(CH3)(OC)(O)2	122.2520	0.000	1	122.2520	0.000	1	120.8865	3.729	2	119.7080	2.588	5	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:3:2:1:	4:2:1:1:	C-4:S-4:	C[5]-4:C-3:O-2:H-1:	C-4:O-2:O-1:O-1:	O(CC[5]CH)(SCOO)	C(C[5]C[5]O[5]H)(CN[5]O)(OS)(H)	S(CH3)(OC)(O)2	O(CC[5]CH)(SCOO)	C(C[5]C[5]O[5]H)(CN[5]O)(OS)(H)	S(CH3)(OC)(O)2	119.5210	0.000	1	119.5210	0.000	1	120.8865	3.729	2	119.7080	2.588	5	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:3:3:2:	4:4:4:2:	C-4:S-4:	C[5]-4:C[6a]-3:C[6a]-3:O-2:	C-4:C-4:C-4:O-2:	O(CC[6a]2C[5])(SC3)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OS)	S(CH3)3(OC)	O(CC[6a]2C[5])(SC3)	C(C[5]C[5]N[5]H)(C[6a]C[6a]2)2(OS)	S(CH3)3(OC)	136.0870	0.000	1	136.0870	0.000	1	136.0870	0.000	1	136.0870	0.000	1	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:4:2:1:	2:2:1:1:	C-4:S-4:	C-4:C-4:O-2:H-1:	O-2:O-2:O-1:O-1:	O(CCCH)(SO3)	C(CCHH)(CH3)(OS)(H)	S(OC)2(O)2	O(CCCH)(SO3)	C(CCHH)(CH3)(OS)(H)	S(OC)2(O)2	118.4180	0.492	2	118.4180	0.242	2	118.4180	0.242	2	118.4180	0.242	2	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:4:2:1:	3:2:1:1:	S-4:C-4:	C-4:C-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CCCH)	C(CCFH)(CCHH)(OS)(H)	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CCCH)	C(CCFH)(CCHH)(OS)(H)	S(C[6a]C[6a]2)(OC)(O)2	119.7240	0.000	1	119.7240	0.000	1	119.8179	1.421	7	119.7960	3.011	10	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:4:2:1:	3:2:1:1:	S-4:C-4:	C-4:C-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CCCH)	C(CCHH)(CCHO)(OS)(H)	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CCCH)	C(CCHH)(CCHO)(OS)(H)	S(C[6a]C[6a]2)(OC)(O)2	121.7840	0.000	1	121.7840	0.000	1	119.8179	1.421	7	119.7960	3.011	10	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:4:2:1:	3:2:1:1:	S-4:C-4:	C-4:C-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CCCH)	C(CCHH)(CH3)(OS)(H)	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CCCH)	C(CCHH)(CH3)(OS)(H)	S(C[6a]C[6a]2)(OC)(O)2	121.1010	0.000	1	121.1010	0.000	1	119.8179	1.421	7	119.7960	3.011	10	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:4:2:1:	3:2:1:1:	S-4:C-4:	C-4:C-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CCCH)	C(CClCH)(CH3)(OS)(H)	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CCCH)	C(CClCH)(CH3)(OS)(H)	S(C[6a]C[6a]2)(OC)(O)2	119.0290	0.414	4	119.0290	0.171	4	119.8179	1.421	7	119.7960	3.011	10	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:4:2:1:	3:2:1:1:	S-4:C-4:	C[3]-4:C-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CC[3]CH)	C(C[3]C[3]N[3]H)(CH3)(OS)(H)	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CC[3]CH)	C(C[3]C[3]N[3]H)(CH3)(OS)(H)	S(C[6a]C[6a]2)(OC)(O)2	118.0220	0.867	2	118.0220	0.752	2	118.0220	0.752	2	119.7960	3.011	10	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:4:2:1:	3:2:1:1:	S-4:C-4:	C[6]-4:C-4:O-2:H-1:	C[6a]-3:O-2:O-1:O-1:	O(SC[6a]OO)(CC[6]CH)	C(C[6]C[6]O[6]H)(CH3)(OS)(H)	S(C[6a]C[6a]2)(OC)(O)2	O(SC[6a]OO)(CC[6]CH)	C(C[6]C[6]O[6]H)(CH3)(OS)(H)	S(C[6a]C[6a]2)(OC)(O)2	123.1910	0.000	1	123.1910	0.000	1	123.1910	0.000	1	119.7960	3.011	10	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:4:2:1:	4:2:1:1:	C-4:S-4:	C-4:C-4:O-2:H-1:	C-4:O-2:O-1:O-1:	O(CCCH)(SCOO)	C(CCCH)(CH3)(OS)(H)	S(CH3)(OC)(O)2	O(CCCH)(SCOO)	C(CCCH)(CH3)(OS)(H)	S(CH3)(OC)(O)2	117.6330	2.044	2	117.6330	4.176	2	120.6526	4.829	8	120.2701	4.695	12	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:4:2:1:	4:2:1:1:	C-4:S-4:	C-4:C-4:O-2:H-1:	C-4:O-2:O-1:O-1:	O(CCCH)(SCOO)	C(CCHN)(CHHN)(OS)(H)	S(CH3)(OC)(O)2	O(CCCH)(SCOO)	C(CCHN)(CHHN)(OS)(H)	S(CH3)(OC)(O)2	120.0760	0.000	1	120.0760	0.000	1	120.6526	4.829	8	120.2701	4.695	12	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:4:2:1:	4:2:1:1:	C-4:S-4:	C-4:C-4:O-2:H-1:	C-4:O-2:O-1:O-1:	O(CCCH)(SCOO)	C(CCHO)(CHHO)(OS)(H)	S(CH3)(OC)(O)2	O(CCCH)(SCOO)	C(CCHO)(CHHO)(OS)(H)	S(CH3)(OC)(O)2	122.2523	0.508	4	122.2523	0.258	4	120.6526	4.829	8	120.2701	4.695	12	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:4:2:1:	4:2:1:1:	C-4:S-4:	C-4:C-4:O-2:H-1:	C-4:O-2:O-1:O-1:	O(CCCH)(SCOO)	C(CCHO)(CHOP)(OS)(H)	S(CH3)(OC)(O)2	O(CCCH)(SCOO)	C(CCHO)(CHOP)(OS)(H)	S(CH3)(OC)(O)2	120.8700	0.000	1	120.8700	0.000	1	120.6526	4.829	8	120.2701	4.695	12	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:4:2:1:	4:2:1:1:	C-4:S-4:	C[3]-4:C-4:O-2:H-1:	C-4:O-2:O-1:O-1:	O(CC[3]CH)(SCOO)	C(C[3]C[3]O[3]H)(CH3)(OS)(H)	S(CC[5,5,6]HH)(OC)(O)2	O(CC[3]CH)(SCOO)	C(C[3]C[3]O[3]H)(CH3)(OS)(H)	S(CC[5,5,6]HH)(OC)(O)2	118.2530	0.000	1	118.2530	0.000	1	118.2530	0.000	1	120.2701	4.695	12	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:4:2:1:	4:2:1:1:	C-4:S-4:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:O-1:O-1:	O(CC[5]CH)(SCOO)	C(C[5]C[5,5]C[5]C)(CCHH)(OS)(H)	S(CH3)(OC)(O)2	O(CC[5]CH)(SCOO)	C(C[5]C[5,5]C[5]C)(CCHH)(OS)(H)	S(CH3)(OC)(O)2	117.5100	0.000	1	117.5100	0.000	1	118.6565	2.629	2	120.2701	4.695	12	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:4:2:1:	4:2:1:1:	C-4:S-4:	C[5]-4:C-4:O-2:H-1:	C-4:O-2:O-1:O-1:	O(CC[5]CH)(SCOO)	C(C[5]C[5]O[5]H)(CHHO)(OS)(H)	S(CH3)(OC)(O)2	O(CC[5]CH)(SCOO)	C(C[5]C[5]O[5]H)(CHHO)(OS)(H)	S(CH3)(OC)(O)2	119.8030	0.000	1	119.8030	0.000	1	118.6565	2.629	2	120.2701	4.695	12	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	4:4:2:1:	4:2:1:1:	C-4:S-4:	C[6]-4:C-4:O-2:H-1:	C-4:O-2:O-1:O-1:	O(CC[6]CH)(SCOO)	C(C[6]C[5,6]N[6]H)(CHHO)(OS)(H)	S(CH3)(OC)(O)2	O(CC[6]CH)(SCOO)	C(C[6]C[5,6]N[6]H)(CHHO)(OS)(H)	S(CH3)(OC)(O)2	122.4540	0.000	1	122.4540	0.000	1	122.4540	0.000	1	120.2701	4.695	12	118.1307	3.898	302	118.1307	3.898	302
893	490	952	0:SP3_SP3_SP3	O	C	S	4:4:	6:2:1:1:	4:2:1:1:	C-4:S-4:	C[5x3,5x5,20x6]-6:O-2:H-1:H-1:	C-4:O-2:O-1:O-1:	O(CC[5x3,5x5,20x6]HH)(SCOO)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OS)(H)2	S(CF3)(OC)(O)2	O(CC[5x3,5x5,20x6]HH)(SCOO)	C(C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(OS)(H)2	S(CF3)(OC)(O)2	120.7540	0.993	2	120.7540	0.986	2	120.7540	0.986	2	120.7540	0.986	2	118.1307	3.898	302	118.1307	3.898	302
893	490	953	0:SP3_SP-NON_SP3	O	C	I	2:4:	2:1:1:1:	3:2:	I-2:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:O-2:	O(IC[6a])(CH3)	C(OI)(H)3	I(C[6a]C[6a]2)(OC)	O(IC[6a])(CH3)	C(OI)(H)3	I(C[6a]C[6a]2)(OC)	113.7080	0.000	1	113.7080	0.000	1	113.7080	0.000	1	113.7080	0.000	1	113.7080	0.000	1	113.7080	0.000	1
893	490	955	0:SP3_SP3_SP3	O	C	P[5]	4:4:	2:1:1:1:	3:2:2:1:	P[5]-4:C-4:	O-2:H-1:H-1:H-1:	N[5]-3:O[5]-2:O-2:O-1:	O(P[5]N[5]O[5]O)(CH3)	C(OP[5])(H)3	P[5](N[5]C[5]C)(O[5]C[5])(OC)(O)	O(P[5]N[5]O[5]O)(CH3)	C(OP[5])(H)3	P[5](N[5]C[5]C)(O[5]C[5])(OC)(O){1|C<3>,1|C<4>,2|H<1>}	120.8510	0.000	1	120.8510	0.000	1	120.8510	0.000	1	120.8510	0.000	1	122.0595	3.728	11	122.0595	3.728	11
893	490	955	0:SP3_SP3_SP3	O	C	P[5]	4:4:	2:1:1:1:	3:3:2:1:	P[5]-4:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:N[5]-3:O-2:O-1:	O(P[5]C[5,6a]N[5]O)(CH3)	C(OP[5])(H)3	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(OC)(O)	O(P[5]C[5,6a]N[5]O)(CH3)	C(OP[5])(H)3	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(OC)(O){1|C<4>,1|O<1>,2|C<3>}	121.3990	0.000	1	121.3990	0.000	1	121.3990	0.000	1	120.1540	3.100	2	122.0595	3.728	11	122.0595	3.728	11
893	490	955	0:SP3_SP3_SP3	O	C	P[5]	4:4:	2:1:1:1:	3:3:2:1:	P[5]-4:C-4:	O-2:H-1:H-1:H-1:	C[5,6a]-3:P[5]-3:O-2:Se-1:	O(P[5]C[5,6a]P[5]Se)(CH3)	C(OP[5])(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]P[5])(OC)(Se)	O(P[5]C[5,6a]P[5]Se)(CH3)	C(OP[5])(H)3	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]P[5])(OC)(Se){1|H<1>,1|P<4>,4|C<3>}	118.9090	0.000	1	118.9090	0.000	1	118.9090	0.000	1	120.1540	3.100	2	122.0595	3.728	11	122.0595	3.728	11
893	490	955	0:SP3_SP3_SP3	O	C	P[5]	4:4:	2:1:1:1:	3:3:4:2:	P[5]-4:C-4:	O-2:H-1:H-1:H-1:	N[5]-3:N[5]-3:B-4:O-2:	O(P[5]N[5]2B)(CH3)	C(OP[5])(H)3	P[5](N[5]C[5]C)2(BMoHH)(OC)	O(P[5]N[5]2B)(CH3)	C(OP[5])(H)3	P[5](N[5]C[5]C)2(BMoHH)(OC){4|H<1>}	121.6610	0.000	1	121.6610	0.000	1	121.6610	0.000	1	121.6610	0.000	1	122.0595	3.728	11	122.0595	3.728	11
893	490	955	0:SP3_SP3_SP3	O	C	P[5]	4:4:	2:4:1:1:	2:3:2:1:	P[5]-4:C-4:	O-2:C-4:H-1:H-1:	O[5]-2:C[5]-3:O-2:O-1:	O(P[5]C[5]O[5]O)(CCHH)	C(OP[5])(CH3)(H)2	P[5](O[5]C[5,6])(C[5]C[5]C)(OC)(O)	O(P[5]C[5]O[5]O)(CCHH)	C(OP[5])(CH3)(H)2	P[5](O[5]C[5,6])(C[5]C[5]C)(OC)(O){1|C<3>,2|C<4>}	120.5960	0.000	1	120.5960	0.000	1	120.5960	0.000	1	120.5960	0.000	1	122.0595	3.728	11	122.0595	3.728	11
893	490	955	0:SP3_SP3_SP3	O	C	P[5]	4:4:	2:4:1:1:	3:3:2:1:	P[5]-4:C-4:	O-2:C-4:H-1:H-1:	C[5,6a]-3:C[5]-3:O-2:O-1:	O(P[5]C[5,6a]C[5]O)(CCHH)	C(OP[5])(CH3)(H)2	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OC)(O)	O(P[5]C[5,6a]C[5]O)(CCHH)	C(OP[5])(CH3)(H)2	P[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5])(OC)(O){1|H<1>,5|C<3>}	120.8930	0.000	1	120.8930	0.000	1	120.8930	0.000	1	122.2130	3.485	2	122.0595	3.728	11	122.0595	3.728	11
893	490	955	0:SP3_SP3_SP3	O	C	P[5]	4:4:	2:4:1:1:	3:3:2:1:	P[5]-4:C-4:	O-2:C-4:H-1:H-1:	C[5,6a]-3:N[5]-3:O-2:O-1:	O(P[5]C[5,6a]N[5]O)(CCHH)	C(OP[5])(CH3)(H)2	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(OC)(O)	O(P[5]C[5,6a]N[5]O)(CCHH)	C(OP[5])(CH3)(H)2	P[5](C[5,6a]C[5,6a]C[6a])(N[5]C[5]H)(OC)(O){1|C<4>,1|O<1>,2|C<3>}	123.5330	0.000	1	123.5330	0.000	1	123.5330	0.000	1	122.2130	3.485	2	122.0595	3.728	11	122.0595	3.728	11
893	490	955	0:SP3_SP3_SP3	O	C	P[5]	4:4:	2:4:1:1:	3:4:2:1:	P[5]-4:C-4:	O-2:C-4:H-1:H-1:	N[5,6]-3:C[5]-4:O-2:O-1:	O(P[5]N[5,6]C[5]O)(CCHH)	C(OP[5])(CH3)(H)2	P[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CH)(OC)(O)	O(P[5]N[5,6]C[5]O)(CCHH)	C(OP[5])(CH3)(H)2	P[5](N[5,6]C[5,6,6a]C[6])(C[5]C[5,6a]CH)(OC)(O){1|C<4>,2|C<3>,2|H<1>}	122.7170	0.000	1	122.7170	0.000	1	122.7170	0.000	1	122.7170	0.000	1	122.0595	3.728	11	122.0595	3.728	11
893	490	955	0:SP3_SP3_SP3	O	C	P[5]	4:4:	2:4:4:1:	3:4:2:1:	P[5]-4:C-4:	O-2:C-4:C-4:H-1:	C[5,6a]-3:P[5]-4:O-2:Se-1:	O(P[5]C[5,6a]P[5]Se)(CCCH)	C(OP[5])(CH3)2(H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]SeO)(OC)(Se)	O(P[5]C[5,6a]P[5]Se)(CCCH)	C(OP[5])(CH3)2(H)	P[5](C[5,6a]C[5,6a,6a]C[6a])(P[5]C[5,6a]SeO)(OC)(Se){1|H<1>,3|C<3>}	124.4055	2.584	2	124.4055	6.680	2	124.4055	6.680	2	124.4055	6.680	2	122.0595	3.728	11	122.0595	3.728	11
893	490	955	0:SP3_SP3_SP3	O	C	P[5]	4:4:	3:3:2:1:	2:2:2:1:	P[5]-4:C-4:	C[6a]-3:C-3:O-2:H-1:	O[5]-2:O[5]-2:O-2:O-1:	O(P[5]O[5]2O)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]O)(OP[5])(H)	P[5](O[5]C[5])2(OC)(O)	O(P[5]O[5]2O)(CC[6a]CH)	C(C[6a]C[6a]2)(CC[6a]O)(OP[5])(H)	P[5](O[5]C[5])2(OC)(O){2|C<4>,2|H<1>}	123.2850	0.000	1	123.2850	0.000	1	123.2850	0.000	1	123.2850	0.000	1	122.0595	3.728	11	122.0595	3.728	11
893	490	956	0:SP3_SP2_SP3	O	C	N	3:4:	2:1:1:1:	3:4:2:	N-3:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:C-4:O-2:	O(NC[5]C)(CH3)	C(ON)(H)3	N(C[5]C[5]O[5])(CH3)(OC)	O(NC[5]C)(CH3)	C(ON)(H)3	N(C[5]C[5]O[5])(CH3)(OC)	110.6925	0.285	2	110.6925	0.081	2	110.6925	0.081	2	110.6925	0.081	2	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	3:4:	3:2:1:1:	3:4:2:	N-3:C-4:	C-3:O-2:H-1:H-1:	C[6a]-3:C-4:O-2:	O(NC[6a]C)(CCHH)	C(CCC)(ON)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	O(NC[6a]C)(CCHH)	C(CCC)(ON)(H)2	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	108.4260	0.000	1	108.4260	0.000	1	108.4260	0.000	1	108.4260	0.000	1	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	2:1:1:1:	3:2:1:	C-4:N-3:	O-2:H-1:H-1:H-1:	C-3:O-2:H-1:	O(CH3)(NCH)	C(ON)(H)3	N(CC[6]O)(OC)(H)	O(CH3)(NCH)	C(ON)(H)3	N(CC[6]O)(OC)(H)	109.9840	0.000	1	109.9840	0.000	1	109.7736	0.444	5	109.7736	0.444	5	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	2:1:1:1:	3:2:1:	C-4:N-3:	O-2:H-1:H-1:H-1:	C-3:O-2:H-1:	O(CH3)(NCH)	C(ON)(H)3	N(CC[6a]O)(OC)(H)	O(CH3)(NCH)	C(ON)(H)3	N(CC[6a]O)(OC)(H)	109.7210	0.758	4	109.7210	0.574	4	109.7736	0.444	5	109.7736	0.444	5	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	2:1:1:1:	3:2:2:	C-4:N-3:	O-2:H-1:H-1:H-1:	C-3:O-2:O-2:	O(CH3)(NCO)	C(ON)(H)3	N(CC[6a]O)(OC)2	O(CH3)(NCO)	C(ON)(H)3	N(CC[6a]O)(OC)2	111.6500	0.000	1	111.6500	0.000	1	111.6500	0.000	1	111.6500	0.000	1	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	2:1:1:1:	3:4:2:	C-4:N-3:	O-2:H-1:H-1:H-1:	C-3:C-4:O-2:	O(CH3)(NCC)	C(ON)(H)3	N(CC[4]O)(CH3)(OC)	O(CH3)(NCC)	C(ON)(H)3	N(CC[4]O)(CH3)(OC)	109.5090	0.919	2	109.5090	0.845	2	109.6769	0.324	9	109.6769	0.324	9	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	2:1:1:1:	3:4:2:	C-4:N-3:	O-2:H-1:H-1:H-1:	C-3:C-4:O-2:	O(CH3)(NCC)	C(ON)(H)3	N(CC[5]O)(CH3)(OC)	O(CH3)(NCC)	C(ON)(H)3	N(CC[5]O)(CH3)(OC)	110.1393	0.421	3	110.1393	0.177	3	109.6769	0.324	9	109.6769	0.324	9	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	2:1:1:1:	3:4:2:	C-4:N-3:	O-2:H-1:H-1:H-1:	C-3:C-4:O-2:	O(CH3)(NCC)	C(ON)(H)3	N(CC[6]H)(CH3)(OC)	O(CH3)(NCC)	C(ON)(H)3	N(CC[6]H)(CH3)(OC)	109.6880	0.000	1	109.6880	0.000	1	109.6769	0.324	9	109.6769	0.324	9	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	2:1:1:1:	3:4:2:	C-4:N-3:	O-2:H-1:H-1:H-1:	C-3:C-4:O-2:	O(CH3)(NCC)	C(ON)(H)3	N(CC[6]O)(CH3)(OC)	O(CH3)(NCC)	C(ON)(H)3	N(CC[6]O)(CH3)(OC)	109.7300	0.000	1	109.7300	0.000	1	109.6769	0.324	9	109.6769	0.324	9	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	2:1:1:1:	3:4:2:	C-4:N-3:	O-2:H-1:H-1:H-1:	C-3:C-4:O-2:	O(CH3)(NCC)	C(ON)(H)3	N(CC[6a]O)(CH3)(OC)	O(CH3)(NCC)	C(ON)(H)3	N(CC[6a]O)(CH3)(OC)	109.1190	0.263	2	109.1190	0.069	2	109.6769	0.324	9	109.6769	0.324	9	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	2:1:1:1:	4:2:2:	C-4:N-3:	O-2:H-1:H-1:H-1:	C-4:N-2:O-2:	O(CH3)(NCN)	C(ON)(H)3	N(CC3)(NO)(OC)	O(CH3)(NCN)	C(ON)(H)3	N(CC3)(NO)(OC)	111.3390	0.000	1	111.3390	0.000	1	111.3390	0.000	1	111.3390	0.000	1	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	2:1:1:1:	4:3:2:	C-4:N-3:	O-2:H-1:H-1:H-1:	C-4:C-3:O-2:	O(CH3)(NCC)	C(ON)(H)3	N(CH3)(CCC)(OC)	O(CH3)(NCC)	C(ON)(H)3	N(CH3)(CCC)(OC)	108.4310	0.000	1	108.4310	0.000	1	109.9680	1.194	11	109.9680	1.194	11	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	2:1:1:1:	4:3:2:	C-4:N-3:	O-2:H-1:H-1:H-1:	C-4:C-3:O-2:	O(CH3)(NCC)	C(ON)(H)3	N(CH3)(CCO)(OC)	O(CH3)(NCC)	C(ON)(H)3	N(CH3)(CCO)(OC)	109.6871	0.457	8	109.6871	0.209	8	109.9680	1.194	11	109.9680	1.194	11	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	2:1:1:1:	4:3:2:	C-4:N-3:	O-2:H-1:H-1:H-1:	C-4:C-3:O-2:	O(CH3)(NCC)	C(ON)(H)3	N(CH3)(CNO)(OC)	O(CH3)(NCC)	C(ON)(H)3	N(CH3)(CNO)(OC)	111.8600	0.571	2	111.8600	0.326	2	109.9680	1.194	11	109.9680	1.194	11	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	3:2:1:1:	2:1:1:	C-4:N-3:	C-3:O-2:H-1:H-1:	O-2:O-1:O-1:	O(CCHH)(NOO)	C(CNO)(ON)(H)2	N(OC)(O)2	O(CCHH)(NOO)	C(CNO)(ON)(H)2	N(OC)(O)2	112.5060	0.000	1	112.5060	0.000	1	112.5060	0.000	1	113.3844	0.807	11	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	3:2:1:1:	2:1:1:	C-4:N-3:	C[5]-3:O-2:H-1:H-1:	O-2:O-1:O-1:	O(CC[5]HH)(NOO)	C(C[5]N[5]2)(ON)(H)2	N(OC)(O)2	O(CC[5]HH)(NOO)	C(C[5]N[5]2)(ON)(H)2	N(OC)(O)2	112.0550	0.000	1	112.0550	0.000	1	112.0550	0.000	1	113.3844	0.807	11	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	3:2:1:1:	2:1:1:	C-4:N-3:	C[5a]-3:O-2:H-1:H-1:	O-2:O-1:O-1:	O(CC[5a]HH)(NOO)	C(C[5a]C[5a]O[5a])(ON)(H)2	N(OC)(O)2	O(CC[5a]HH)(NOO)	C(C[5a]C[5a]O[5a])(ON)(H)2	N(OC)(O)2	114.3490	0.000	1	114.3490	0.000	1	113.3643	0.773	3	113.3844	0.807	11	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	3:2:1:1:	2:1:1:	C-4:N-3:	C[5a]-3:O-2:H-1:H-1:	O-2:O-1:O-1:	O(CC[5a]HH)(NOO)	C(C[5a]N[5a]2)(ON)(H)2	N(OC)(O)2	O(CC[5a]HH)(NOO)	C(C[5a]N[5a]2)(ON)(H)2	N(OC)(O)2	112.8720	0.301	2	112.8720	0.091	2	113.3643	0.773	3	113.3844	0.807	11	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	3:2:1:1:	2:1:1:	C-4:N-3:	C[6]-3:O-2:H-1:H-1:	O-2:O-1:O-1:	O(CC[6]HH)(NOO)	C(C[6]C[6]N[6])(ON)(H)2	N(OC)(O)2	O(CC[6]HH)(NOO)	C(C[6]C[6]N[6])(ON)(H)2	N(OC)(O)2	113.0730	0.000	1	113.0730	0.000	1	113.0730	0.000	1	113.3844	0.807	11	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	3:2:1:1:	2:1:1:	C-4:N-3:	N[5a]-3:O-2:H-1:H-1:	O-2:O-1:O-1:	O(CN[5a]HH)(NOO)	C(N[5a]C[5a,5a]N[5a])(ON)(H)2	N(OC)(O)2	O(CN[5a]HH)(NOO)	C(N[5a]C[5a,5a]N[5a])(ON)(H)2	N(OC)(O)2	113.7620	0.000	1	113.7620	0.000	1	113.9002	0.638	5	113.3844	0.807	11	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	3:2:1:1:	2:1:1:	C-4:N-3:	N[5a]-3:O-2:H-1:H-1:	O-2:O-1:O-1:	O(CN[5a]HH)(NOO)	C(N[5a]C[5a,6a]C[5a])(ON)(H)2	N(OC)(O)2	O(CN[5a]HH)(NOO)	C(N[5a]C[5a,6a]C[5a])(ON)(H)2	N(OC)(O)2	114.4380	0.987	2	114.4380	0.974	2	113.9002	0.638	5	113.3844	0.807	11	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	3:2:1:1:	2:1:1:	C-4:N-3:	N[5a]-3:O-2:H-1:H-1:	O-2:O-1:O-1:	O(CN[5a]HH)(NOO)	C(N[5a]C[5a]N[5a])(ON)(H)2	N(OC)(O)2	O(CN[5a]HH)(NOO)	C(N[5a]C[5a]N[5a])(ON)(H)2	N(OC)(O)2	113.4315	0.736	2	113.4315	0.542	2	113.9002	0.638	5	113.3844	0.807	11	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	3:2:1:1:	3:2:1:	C-4:N-3:	C-3:O-2:H-1:H-1:	C-3:O-2:H-1:	O(CCHH)(NCH)	C(CNO)(ON)(H)2	N(CCO)(OC)(H)	O(CCHH)(NCH)	C(CNO)(ON)(H)2	N(CCO)(OC)(H)	111.8063	1.107	3	111.8063	1.225	3	111.8063	1.225	3	110.2335	1.965	16	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	3:2:1:1:	3:2:1:	C-4:N-3:	C[6a]-3:O-2:H-1:H-1:	C-3:O-2:H-1:	O(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(ON)(H)2	N(CCO)(OC)(H)	O(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(ON)(H)2	N(CCO)(OC)(H)	110.3550	1.189	3	110.3550	1.415	3	109.8705	1.491	13	110.2335	1.965	16	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	3:2:1:1:	3:2:1:	C-4:N-3:	C[6a]-3:O-2:H-1:H-1:	C-3:O-2:H-1:	O(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(ON)(H)2	N(CNO)(OC)(H)	O(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(ON)(H)2	N(CNO)(OC)(H)	109.7445	1.514	6	109.7445	2.291	6	109.8705	1.491	13	110.2335	1.965	16	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	3:2:1:1:	3:2:1:	C-4:N-3:	C[6a]-3:O-2:H-1:H-1:	C-3:O-2:H-1:	O(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(ON)(H)2	N(CN[5a]O)(OC)(H)	O(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(ON)(H)2	N(CN[5a]O)(OC)(H)	109.9353	1.001	3	109.9353	1.001	3	109.8705	1.491	13	110.2335	1.965	16	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	3:2:1:1:	3:2:1:	C-4:N-3:	C[6a]-3:O-2:H-1:H-1:	C-3:O-2:H-1:	O(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(ON)(H)2	N(CN[6]O)(OC)(H)	O(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(ON)(H)2	N(CN[6]O)(OC)(H)	108.9790	0.000	1	108.9790	0.000	1	109.8705	1.491	13	110.2335	1.965	16	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	3:2:1:1:	3:2:2:	C-4:N-3:	C[6a]-3:O-2:H-1:H-1:	C-3:O-2:O-2:	O(CC[6a]HH)(NCO)	C(C[6a]C[6a]2)(ON)(H)2	N(CC[6a]O)(OC)2	O(CC[6a]HH)(NCO)	C(C[6a]C[6a]2)(ON)(H)2	N(CC[6a]O)(OC)2	109.4520	0.998	2	109.4520	0.997	2	109.4520	0.997	2	109.4520	0.997	2	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	3:2:1:1:	3:3:2:	C-4:N-3:	C[6a]-3:O-2:H-1:H-1:	C-3:C-3:O-2:	O(CC[6a]HH)(NCC)	C(C[6a]C[6a]2)(ON)(H)2	N(CC[6a]O)(CCH)(OC)	O(CC[6a]HH)(NCC)	C(C[6a]C[6a]2)(ON)(H)2	N(CC[6a]O)(CCH)(OC)	109.1760	0.000	1	109.1760	0.000	1	108.9420	0.110	2	108.9420	0.110	2	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	3:2:1:1:	3:3:2:	C-4:N-3:	C[6a]-3:O-2:H-1:H-1:	C-3:C-3:O-2:	O(CC[6a]HH)(NCC)	C(C[6a]C[6a]2)(ON)(H)2	N(CNO)2(OC)	O(CC[6a]HH)(NCC)	C(C[6a]C[6a]2)(ON)(H)2	N(CNO)2(OC)	108.7080	0.000	1	108.7080	0.000	1	108.9420	0.110	2	108.9420	0.110	2	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	3:2:1:1:	4:2:1:	C-4:N-3:	C[6a]-3:O-2:H-1:H-1:	C-4:O-2:H-1:	O(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(ON)(H)2	N(CCCH)(OC)(H)	O(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(ON)(H)2	N(CCCH)(OC)(H)	107.4020	0.064	2	107.4020	0.004	2	107.4020	0.004	2	107.6600	0.202	3	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	3:2:1:1:	4:2:1:	C-4:N-3:	C[6a]-3:O-2:H-1:H-1:	C[5,6]-4:O-2:H-1:	O(CC[6a]HH)(NC[5,6]H)	C(C[6a]C[6a]2)(ON)(H)2	N(C[5,6]C[5,5]C[5,6]C[6])(OC)(H)	O(CC[6a]HH)(NC[5,6]H)	C(C[6a]C[6a]2)(ON)(H)2	N(C[5,6]C[5,5]C[5,6]C[6])(OC)(H)	108.1760	0.000	1	108.1760	0.000	1	108.1760	0.000	1	107.6600	0.202	3	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	3:4:2:1:	3:2:1:	C-4:N-3:	C[6a]-3:C-4:O-2:H-1:	C-3:O-2:H-1:	O(CC[6a]CH)(NCH)	C(C[6a]C[6a]2)(CCHH)(ON)(H)	N(CCO)(OC)(H)	O(CC[6a]CH)(NCH)	C(C[6a]C[6a]2)(CCHH)(ON)(H)	N(CCO)(OC)(H)	111.3530	0.000	1	111.3530	0.000	1	111.3530	0.000	1	111.3530	0.000	1	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	3:4:2:1:	3:4:2:	C-4:N-3:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:	O(CC[6a]CH)(NC[6a]C)	C(C[6a]C[6a]2)(CCHH)(ON)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	O(CC[6a]CH)(NC[6a]C)	C(C[6a]C[6a]2)(CCHH)(ON)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	108.3960	0.000	1	108.3960	0.000	1	108.3960	0.000	1	108.3960	0.000	1	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	3:4:3:2:	3:2:1:	C-4:N-3:	C-3:C-4:C-3:O-2:	C-3:O-2:H-1:	O(CC3)(NCH)	C(CC[6a]O)(CH3)(COS)(ON)	N(COO)(OC)(H)	O(CC3)(NCH)	C(CC[6a]O)(CH3)(COS)(ON)	N(COO)(OC)(H)	111.4670	0.000	1	111.4670	0.000	1	111.4670	0.000	1	111.4670	0.000	1	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	4:2:1:1:	2:1:1:	C-4:N-3:	C-4:O-2:H-1:H-1:	O-2:O-1:O-1:	O(CCHH)(NOO)	C(CC3)(ON)(H)2	N(OC)(O)2	O(CCHH)(NOO)	C(CC3)(ON)(H)2	N(OC)(O)2	112.9000	0.000	1	112.9000	0.000	1	114.0439	1.089	15	114.1403	1.036	34	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	4:2:1:1:	2:1:1:	C-4:N-3:	C-4:O-2:H-1:H-1:	O-2:O-1:O-1:	O(CCHH)(NOO)	C(CCCH)(ON)(H)2	N(OC)(O)2	O(CCHH)(NOO)	C(CCCH)(ON)(H)2	N(OC)(O)2	114.6447	1.092	3	114.6447	1.192	3	114.0439	1.089	15	114.1403	1.036	34	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	4:2:1:1:	2:1:1:	C-4:N-3:	C-4:O-2:H-1:H-1:	O-2:O-1:O-1:	O(CCHH)(NOO)	C(CCFF)(ON)(H)2	N(OC)(O)2	O(CCHH)(NOO)	C(CCFF)(ON)(H)2	N(OC)(O)2	116.1950	0.000	1	116.1950	0.000	1	114.0439	1.089	15	114.1403	1.036	34	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	4:2:1:1:	2:1:1:	C-4:N-3:	C-4:O-2:H-1:H-1:	O-2:O-1:O-1:	O(CCHH)(NOO)	C(CCHN)(ON)(H)2	N(OC)(O)2	O(CCHH)(NOO)	C(CCHN)(ON)(H)2	N(OC)(O)2	114.1120	0.000	1	114.1120	0.000	1	114.0439	1.089	15	114.1403	1.036	34	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	4:2:1:1:	2:1:1:	C-4:N-3:	C-4:O-2:H-1:H-1:	O-2:O-1:O-1:	O(CCHH)(NOO)	C(CCHO)(ON)(H)2	N(OC)(O)2	O(CCHH)(NOO)	C(CCHO)(ON)(H)2	N(OC)(O)2	113.0105	0.042	2	113.0105	0.002	2	114.0439	1.089	15	114.1403	1.036	34	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	4:2:1:1:	2:1:1:	C-4:N-3:	C-4:O-2:H-1:H-1:	O-2:O-1:O-1:	O(CCHH)(NOO)	C(CC[6a]CC)(ON)(H)2	N(OC)(O)2	O(CCHH)(NOO)	C(CC[6a]CC)(ON)(H)2	N(OC)(O)2	114.2610	0.000	1	114.2610	0.000	1	114.0439	1.089	15	114.1403	1.036	34	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	4:2:1:1:	2:1:1:	C-4:N-3:	C-4:O-2:H-1:H-1:	O-2:O-1:O-1:	O(CCHH)(NOO)	C(CHHN)(ON)(H)2	N(OC)(O)2	O(CCHH)(NOO)	C(CHHN)(ON)(H)2	N(OC)(O)2	113.8810	0.933	5	113.8810	0.871	5	114.0439	1.089	15	114.1403	1.036	34	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	4:2:1:1:	2:1:1:	C-4:N-3:	C-4:O-2:H-1:H-1:	O-2:O-1:O-1:	O(CCHH)(NOO)	C(CN[5]HH)(ON)(H)2	N(OC)(O)2	O(CCHH)(NOO)	C(CN[5]HH)(ON)(H)2	N(OC)(O)2	113.8310	0.000	1	113.8310	0.000	1	114.0439	1.089	15	114.1403	1.036	34	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	4:2:1:1:	2:1:1:	C-4:N-3:	C[4]-4:O-2:H-1:H-1:	O-2:O-1:O-1:	O(CC[4]HH)(NOO)	C(C[4]C[4]2C)(ON)(H)2	N(OC)(O)2	O(CC[4]HH)(NOO)	C(C[4]C[4]2C)(ON)(H)2	N(OC)(O)2	114.4569	0.507	8	114.4569	0.257	8	114.4339	0.695	16	114.1403	1.036	34	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	4:2:1:1:	2:1:1:	C-4:N-3:	C[4]-4:O-2:H-1:H-1:	O-2:O-1:O-1:	O(CC[4]HH)(NOO)	C(C[4]C[4]2H)(ON)(H)2	N(OC)(O)2	O(CC[4]HH)(NOO)	C(C[4]C[4]2H)(ON)(H)2	N(OC)(O)2	114.4109	1.109	8	114.4109	1.230	8	114.4339	0.695	16	114.1403	1.036	34	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	4:2:1:1:	2:1:1:	C-4:N-3:	P-4:O-2:H-1:H-1:	O-2:O-1:O-1:	O(CHHP)(NOO)	C(PCCO)(ON)(H)2	N(OC)(O)2	O(CHHP)(NOO)	C(PCCO)(ON)(H)2	N(OC)(O)2	113.0563	1.317	3	113.0563	1.736	3	113.0563	1.736	3	114.1403	1.036	34	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	4:2:1:1:	3:2:1:	C-4:N-3:	C-4:O-2:H-1:H-1:	C-3:O-2:H-1:	O(CCHH)(NCH)	C(CC3)(ON)(H)2	N(CCO)(OC)(H)	O(CCHH)(NCH)	C(CC3)(ON)(H)2	N(CCO)(OC)(H)	110.5375	0.221	2	110.5375	0.049	2	110.1470	0.247	4	109.7404	1.012	5	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	4:2:1:1:	3:2:1:	C-4:N-3:	C-4:O-2:H-1:H-1:	C-3:O-2:H-1:	O(CCHH)(NCH)	C(CCHH)(ON)(H)2	N(CCO)(OC)(H)	O(CCHH)(NCH)	C(CCHH)(ON)(H)2	N(CCO)(OC)(H)	109.7565	0.288	2	109.7565	0.083	2	110.1470	0.247	4	109.7404	1.012	5	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	4:2:1:1:	3:2:1:	C-4:N-3:	C[3]-4:O-2:H-1:H-1:	C-3:O-2:H-1:	O(CC[3]HH)(NCH)	C(C[3]C[3]O[3]C)(ON)(H)2	N(CNO)(OC)(H)	O(CC[3]HH)(NCH)	C(C[3]C[3]O[3]C)(ON)(H)2	N(CNO)(OC)(H)	108.1140	0.000	1	108.1140	0.000	1	108.1140	0.000	1	109.7404	1.012	5	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	4:2:2:1:	2:1:1:	C-4:N-3:	C-4:O-2:O-2:H-1:	O-2:O-1:O-1:	O(CCHO)(NOO)	C(CHOO)(ON)2(H)	N(OC)(O)2	O(CCHO)(NOO)	C(CHOO)(ON)2(H)	N(OC)(O)2	114.8795	1.336	2	114.8795	1.784	2	114.8795	1.784	2	114.8795	1.784	2	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	4:3:2:1:	3:2:1:	C-4:N-3:	C-4:C-3:O-2:H-1:	C-3:O-2:H-1:	O(CCCH)(NCH)	C(CCCH)(CNO)(ON)(H)	N(CCO)(OC)(H)	O(CCCH)(NCH)	C(CCCH)(CNO)(ON)(H)	N(CCO)(OC)(H)	111.2490	0.000	1	111.2490	0.000	1	111.2490	0.000	1	111.2490	0.000	1	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	4:3:3:2:	3:2:1:	C-4:N-3:	C-4:C-3:C-3:O-2:	C-3:O-2:H-1:	O(CC3)(NCH)	C(CC[6a]HH)(CCO)(COS)(ON)	N(COO)(OC)(H)	O(CC3)(NCH)	C(CC[6a]HH)(CCO)(COS)(ON)	N(COO)(OC)(H)	108.9940	0.000	1	108.9940	0.000	1	108.9940	0.000	1	108.9940	0.000	1	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	4:4:2:1:	2:1:1:	C-4:N-3:	C-4:C-4:O-2:H-1:	O-2:O-1:O-1:	O(CCCH)(NOO)	C(CCHO)(CHHO)(ON)(H)	N(OC)(O)2	O(CCCH)(NOO)	C(CCHO)(CHHO)(ON)(H)	N(OC)(O)2	114.5085	0.059	2	114.5085	0.003	2	114.5085	0.003	2	114.5085	0.003	2	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP2_SP3	O	C	N	4:3:	4:4:2:1:	3:2:1:	C-4:N-3:	C-4:C-4:O-2:H-1:	C-3:O-2:H-1:	O(CCCH)(NCH)	C(CCHH)(CH3)(ON)(H)	N(CCO)(OC)(H)	O(CCCH)(NCH)	C(CCHH)(CH3)(ON)(H)	N(CCO)(OC)(H)	110.8720	1.312	2	110.8720	1.722	2	110.8720	1.722	2	110.8720	1.722	2	111.6719	5.451	114	111.6719	5.451	114
893	490	956	0:SP3_SP3_SP3	O	C	N	3:4:	2:1:1:1:	3:3:2:	N-3:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C-3:O-2:	O(NC[6a]C)(CH3)	C(ON)(H)3	N(C[6a]C[6a]2)(CNO)(OC)	O(NC[6a]C)(CH3)	C(ON)(H)3	N(C[6a]C[6a]2)(CNO)(OC)	109.5560	0.000	1	109.5560	0.000	1	109.5560	0.000	1	109.5560	0.000	1	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	3:4:	2:1:1:1:	4:2:1:	N-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:O-2:H-1:	O(NC[6]H)(CH3)	C(ON)(H)3	N(C[6]C[5,6]C[6]H)(OC)(H)	O(NC[6]H)(CH3)	C(ON)(H)3	N(C[6]C[5,6]C[6]H)(OC)(H)	108.2120	0.000	1	108.2120	0.000	1	108.2637	0.503	3	108.2637	0.503	3	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	3:4:	2:1:1:1:	4:2:1:	N-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:O-2:H-1:	O(NC[6]H)(CH3)	C(ON)(H)3	N(C[6]C[5a,6]C[6]C)(OC)(H)	O(NC[6]H)(CH3)	C(ON)(H)3	N(C[6]C[5a,6]C[6]C)(OC)(H)	108.9970	0.000	1	108.9970	0.000	1	108.2637	0.503	3	108.2637	0.503	3	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	3:4:	2:1:1:1:	4:2:1:	N-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:O-2:H-1:	O(NC[6]H)(CH3)	C(ON)(H)3	N(C[6]C[6]2H)(OC)(H)	O(NC[6]H)(CH3)	C(ON)(H)3	N(C[6]C[6]2H)(OC)(H)	107.5820	0.000	1	107.5820	0.000	1	108.2637	0.503	3	108.2637	0.503	3	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	3:4:	2:1:1:1:	4:3:2:	N-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C-3:O-2:	O(NC[6]C)(CH3)	C(ON)(H)3	N(C[6]C[6]2H)(CC[6a]O)(OC)	O(NC[6]C)(CH3)	C(ON)(H)3	N(C[6]C[6]2H)(CC[6a]O)(OC)	108.9770	0.000	1	108.9770	0.000	1	109.6705	0.962	2	109.6705	0.962	2	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	3:4:	2:1:1:1:	4:3:2:	N-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C-3:O-2:	O(NC[6]C)(CH3)	C(ON)(H)3	N(C[6]C[6]N[6]H)(CC[6a]O)(OC)	O(NC[6]C)(CH3)	C(ON)(H)3	N(C[6]C[6]N[6]H)(CC[6a]O)(OC)	110.3640	0.000	1	110.3640	0.000	1	109.6705	0.962	2	109.6705	0.962	2	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	3:4:	2:1:1:1:	4:4:2:	N-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:O-2:	O(NC[6]C)(CH3)	C(ON)(H)3	N(C[6]C[5a,6]C[6]H)(CCHH)(OC)	O(NC[6]C)(CH3)	C(ON)(H)3	N(C[6]C[5a,6]C[6]H)(CCHH)(OC)	108.5290	0.000	1	108.5290	0.000	1	108.9425	0.342	2	108.9425	0.342	2	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	3:4:	2:1:1:1:	4:4:2:	N-3:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:C-4:O-2:	O(NC[6]C)(CH3)	C(ON)(H)3	N(C[6]C[6]O[6]H)(CCHH)(OC)	O(NC[6]C)(CH3)	C(ON)(H)3	N(C[6]C[6]O[6]H)(CCHH)(OC)	109.3560	0.000	1	109.3560	0.000	1	108.9425	0.342	2	108.9425	0.342	2	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	3:4:	4:2:2:1:	3:4:2:	N-3:C-4:	C-4:O-2:O-2:H-1:	C[6a]-3:C-4:O-2:	O(NC[6a]C)(CCHO)	C(CCHH)(OC)(ON)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	O(NC[6a]C)(CCHO)	C(CCHH)(OC)(ON)(H)	N(C[6a]C[6a]2)(CC[6a]CH)(OC)	108.2470	0.000	1	108.2470	0.000	1	108.2470	0.000	1	108.2470	0.000	1	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	3:4:	4:3:2:1:	3:2:1:	N-3:C-4:	C-4:C-3:O-2:H-1:	C[6a]-3:O-2:H-1:	O(NC[6a]H)(CCCH)	C(CC[6a]HH)(CCO)(ON)(H)	N(C[6a]C[6a]2)(OC)(H)	O(NC[6a]H)(CCCH)	C(CC[6a]HH)(CCO)(ON)(H)	N(C[6a]C[6a]2)(OC)(H)	107.4590	0.000	1	107.4590	0.000	1	107.4590	0.000	1	107.4590	0.000	1	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	2:1:1:1:	3:2:2:	C-4:N-3:	O-2:H-1:H-1:H-1:	C-3:O-2:O-2:	O(CH3)(NCO)	C(ON)(H)3	N(CC[6a]O)(OC)2	O(CH3)(NCO)	C(ON)(H)3	N(CC[6a]O)(OC)2	109.7960	0.000	1	109.7960	0.000	1	109.7960	0.000	1	109.7960	0.000	1	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	2:1:1:1:	3:4:2:	C-4:N-3:	O-2:H-1:H-1:H-1:	C-3:C-4:O-2:	O(CH3)(NCC)	C(ON)(H)3	N(CC[3,5]O)(CH3)(OC)	O(CH3)(NCC)	C(ON)(H)3	N(CC[3,5]O)(CH3)(OC)	110.6620	0.000	1	110.6620	0.000	1	109.8614	0.493	5	109.8614	0.493	5	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	2:1:1:1:	3:4:2:	C-4:N-3:	O-2:H-1:H-1:H-1:	C-3:C-4:O-2:	O(CH3)(NCC)	C(ON)(H)3	N(CC[3]O)(CH3)(OC)	O(CH3)(NCC)	C(ON)(H)3	N(CC[3]O)(CH3)(OC)	109.9585	0.428	2	109.9585	0.183	2	109.8614	0.493	5	109.8614	0.493	5	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	2:1:1:1:	3:4:2:	C-4:N-3:	O-2:H-1:H-1:H-1:	C-3:C-4:O-2:	O(CH3)(NCC)	C(ON)(H)3	N(CC[5]O)(CH3)(OC)	O(CH3)(NCC)	C(ON)(H)3	N(CC[5]O)(CH3)(OC)	109.3640	0.796	2	109.3640	0.634	2	109.8614	0.493	5	109.8614	0.493	5	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	2:1:1:1:	4:3:2:	C-4:N-3:	O-2:H-1:H-1:H-1:	C-4:C-3:O-2:	O(CH3)(NCC)	C(ON)(H)3	N(CC[5a]CO)(CCO)(OC)	O(CH3)(NCC)	C(ON)(H)3	N(CC[5a]CO)(CCO)(OC)	108.6500	0.000	1	108.6500	0.000	1	109.3069	0.437	13	109.3069	0.437	13	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	2:1:1:1:	4:3:2:	C-4:N-3:	O-2:H-1:H-1:H-1:	C-4:C-3:O-2:	O(CH3)(NCC)	C(ON)(H)3	N(CC[6a]CH)(CCO)(OC)	O(CH3)(NCC)	C(ON)(H)3	N(CC[6a]CH)(CCO)(OC)	109.9060	0.395	2	109.9060	0.156	2	109.3069	0.437	13	109.3069	0.437	13	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	2:1:1:1:	4:3:2:	C-4:N-3:	O-2:H-1:H-1:H-1:	C-4:C-3:O-2:	O(CH3)(NCC)	C(ON)(H)3	N(CH3)(CCO)(OC)	O(CH3)(NCC)	C(ON)(H)3	N(CH3)(CCO)(OC)	109.4494	0.577	8	109.4494	0.333	8	109.3069	0.437	13	109.3069	0.437	13	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	2:1:1:1:	4:3:2:	C-4:N-3:	O-2:H-1:H-1:H-1:	C-4:C-3:O-2:	O(CH3)(NCC)	C(ON)(H)3	N(CH3)(CNO)(OC)	O(CH3)(NCC)	C(ON)(H)3	N(CH3)(CNO)(OC)	108.4665	0.183	2	108.4665	0.034	2	109.3069	0.437	13	109.3069	0.437	13	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	2:1:1:1:	4:4:2:	C-4:N-3:	O-2:H-1:H-1:H-1:	C-4:C-4:O-2:	O(CH3)(NCC)	C(ON)(H)3	N(CCHH)(CH3)(OC)	O(CH3)(NCC)	C(ON)(H)3	N(CCHH)(CH3)(OC)	106.9900	0.000	1	106.9900	0.000	1	106.9900	0.000	1	108.2480	3.165	2	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	2:1:1:1:	4:4:2:	C-4:N-3:	O-2:H-1:H-1:H-1:	S-4:C-4:O-2:	O(CH3)(NCS)	C(ON)(H)3	N(SC[6a]OO)(CC[6]CH)(OC)	O(CH3)(NCS)	C(ON)(H)3	N(SC[6a]OO)(CC[6]CH)(OC)	109.5060	0.000	1	109.5060	0.000	1	109.5060	0.000	1	108.2480	3.165	2	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	2:2:1:1:	4:4:2:	C-4:N-3:	O-2:O-2:H-1:H-1:	S-4:C-4:O-2:	O(CHHO)(NCS)	C(OC)(ON)(H)2	N(SC[6a]OO)(CCHH)(OC)	O(CHHO)(NCS)	C(OC)(ON)(H)2	N(SC[6a]OO)(CCHH)(OC)	110.5900	0.000	1	110.5900	0.000	1	110.5900	0.000	1	110.5900	0.000	1	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	3:2:1:1:	3:2:1:	C-4:N-3:	C-3:O-2:H-1:H-1:	C-3:O-2:H-1:	O(CCHH)(NCH)	C(COO)(ON)(H)2	N(COO)(OC)(H)	O(CCHH)(NCH)	C(COO)(ON)(H)2	N(COO)(OC)(H)	109.1140	0.000	1	109.1140	0.000	1	109.1140	0.000	1	109.1194	0.573	5	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	3:2:1:1:	3:2:1:	C-4:N-3:	C[6a]-3:O-2:H-1:H-1:	C-3:O-2:H-1:	O(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(ON)(H)2	N(CNO)(OC)(H)	O(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(ON)(H)2	N(CNO)(OC)(H)	109.1208	0.874	4	109.1208	0.764	4	109.1208	0.764	4	109.1194	0.573	5	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	3:2:1:1:	3:2:2:	C-4:N-3:	C[6a]-3:O-2:H-1:H-1:	C-3:O-2:O-2:	O(CC[6a]HH)(NCO)	C(C[6a]C[6a]2)(ON)(H)2	N(CC[6a]O)(OC)2	O(CC[6a]HH)(NCO)	C(C[6a]C[6a]2)(ON)(H)2	N(CC[6a]O)(OC)2	109.9890	0.000	1	109.9890	0.000	1	109.9890	0.000	1	109.9890	0.000	1	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	3:2:1:1:	3:3:2:	C-4:N-3:	C[6a]-3:O-2:H-1:H-1:	C-3:C-3:O-2:	O(CC[6a]HH)(NCC)	C(C[6a]C[6a]2)(ON)(H)2	N(CNO)2(OC)	O(CC[6a]HH)(NCC)	C(C[6a]C[6a]2)(ON)(H)2	N(CNO)2(OC)	108.7840	0.000	1	108.7840	0.000	1	108.7840	0.000	1	108.7840	0.000	1	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	3:2:1:1:	4:2:1:	C-4:N-3:	C-3:O-2:H-1:H-1:	C-4:O-2:H-1:	O(CCHH)(NCH)	C(CNO)(ON)(H)2	N(CC[5]HH)(OC)(H)	O(CCHH)(NCH)	C(CNO)(ON)(H)2	N(CC[5]HH)(OC)(H)	108.6340	0.000	1	108.6340	0.000	1	108.6340	0.000	1	107.5842	0.858	4	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	3:2:1:1:	4:2:1:	C-4:N-3:	C[6a]-3:O-2:H-1:H-1:	C-4:O-2:H-1:	O(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(ON)(H)2	N(CCCH)(OC)(H)	O(CC[6a]HH)(NCH)	C(C[6a]C[6a]2)(ON)(H)2	N(CCCH)(OC)(H)	106.9350	0.000	1	106.9350	0.000	1	106.9350	0.000	1	107.5842	0.858	4	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	3:2:1:1:	4:2:1:	C-4:N-3:	C[6a]-3:O-2:H-1:H-1:	C[5]-4:O-2:H-1:	O(CC[6a]HH)(NC[5]H)	C(C[6a]C[6a]2)(ON)(H)2	N(C[5]C[5,5]C[5]C)(OC)(H)	O(CC[6a]HH)(NC[5]H)	C(C[6a]C[6a]2)(ON)(H)2	N(C[5]C[5,5]C[5]C)(OC)(H)	107.3840	0.984	2	107.3840	0.969	2	107.3840	0.969	2	107.5842	0.858	4	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	3:2:1:1:	4:3:2:	C-4:N-3:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:O-2:	O(CC[6a]HH)(NCC)	C(C[6a]C[6a]2)(ON)(H)2	N(CCCH)(COO)(OC)	O(CC[6a]HH)(NCC)	C(C[6a]C[6a]2)(ON)(H)2	N(CCCH)(COO)(OC)	110.2140	0.000	1	110.2140	0.000	1	109.7537	0.167	3	109.7777	0.113	4	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	3:2:1:1:	4:3:2:	C-4:N-3:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:O-2:	O(CC[6a]HH)(NCC)	C(C[6a]C[6a]2)(ON)(H)2	N(CCHH)(CCO)(OC)	O(CC[6a]HH)(NCC)	C(C[6a]C[6a]2)(ON)(H)2	N(CCHH)(CCO)(OC)	109.6110	0.000	1	109.6110	0.000	1	109.7537	0.167	3	109.7777	0.113	4	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	3:2:1:1:	4:3:2:	C-4:N-3:	C[6a]-3:O-2:H-1:H-1:	C-4:C-3:O-2:	O(CC[6a]HH)(NCC)	C(C[6a]C[6a]2)(ON)(H)2	N(CC[6a]HH)(CCO)(OC)	O(CC[6a]HH)(NCC)	C(C[6a]C[6a]2)(ON)(H)2	N(CC[6a]HH)(CCO)(OC)	109.4360	0.000	1	109.4360	0.000	1	109.7537	0.167	3	109.7777	0.113	4	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	3:2:1:1:	4:3:2:	C-4:N-3:	C[6a]-3:O-2:H-1:H-1:	C[4]-4:C-3:O-2:	O(CC[6a]HH)(NC[4]C)	C(C[6a]C[6a]2)(ON)(H)2	N(C[4]C[4]N[4]H)(CC[6a]O)(OC)	O(CC[6a]HH)(NC[4]C)	C(C[6a]C[6a]2)(ON)(H)2	N(C[4]C[4]N[4]H)(CC[6a]O)(OC)	109.8500	0.000	1	109.8500	0.000	1	109.8500	0.000	1	109.7777	0.113	4	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	3:2:1:1:	4:4:2:	C-4:N-3:	C[6a]-3:O-2:H-1:H-1:	C[5]-4:C-4:O-2:	O(CC[6a]HH)(NC[5]C)	C(C[6a]C[6a]2)(ON)(H)2	N(C[5]C[5]2H)(CC[6a]HH)(OC)	O(CC[6a]HH)(NC[5]C)	C(C[6a]C[6a]2)(ON)(H)2	N(C[5]C[5]2H)(CC[6a]HH)(OC)	109.0720	0.543	2	109.0720	0.295	2	109.1887	0.188	3	109.1887	0.188	3	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	3:2:1:1:	4:4:2:	C-4:N-3:	C[6a]-3:O-2:H-1:H-1:	C[5]-4:C-4:O-2:	O(CC[6a]HH)(NC[5]C)	C(C[6a]C[6a]2)(ON)(H)2	N(C[5]C[5]O[5]H)(CCHH)(OC)	O(CC[6a]HH)(NC[5]C)	C(C[6a]C[6a]2)(ON)(H)2	N(C[5]C[5]O[5]H)(CCHH)(OC)	109.4220	0.000	1	109.4220	0.000	1	109.1887	0.188	3	109.1887	0.188	3	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	3:3:3:2:	2:1:1:	C-4:N-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O-2:H-1:H-1:	O(CC[6a]3)(NHH)	C(C[6a]C[6a]2)3(ON)	N(OC)(H)2	O(CC[6a]3)(NHH)	C(C[6a]C[6a]2)3(ON)	N(OC)(H)2	110.1655	0.019	2	110.1655	0.000	2	110.1655	0.000	2	110.1655	0.000	2	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	3:4:2:1:	4:4:2:	C-4:N-3:	C[6]-3:C-4:O-2:H-1:	C-4:C-4:O-2:	O(CC[6]CH)(NCC)	C(C[6]C[6]N[6])(CH3)(ON)(H)	N(CCHP)(CC3)(OC)	O(CC[6]CH)(NCC)	C(C[6]C[6]N[6])(CH3)(ON)(H)	N(CCHP)(CC3)(OC)	112.0045	0.456	2	112.0045	0.208	2	112.0045	0.208	2	113.1278	0.575	18	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	3:4:2:1:	4:4:2:	C-4:N-3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:	O(CC[6a]CH)(NCC)	C(C[6a]C[6a]2)(CH3)(ON)(H)	N(CCHP)(CC3)(OC)	O(CC[6a]CH)(NCC)	C(C[6a]C[6a]2)(CH3)(ON)(H)	N(CCHP)(CC3)(OC)	113.4037	0.479	7	113.4037	0.229	7	113.3047	0.457	15	113.1278	0.575	18	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	3:4:2:1:	4:4:2:	C-4:N-3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:	O(CC[6a]CH)(NCC)	C(C[6a]C[6a]2)(CHHN)(ON)(H)	N(CCHP)(CC3)(OC)	O(CC[6a]CH)(NCC)	C(C[6a]C[6a]2)(CHHN)(ON)(H)	N(CCHP)(CC3)(OC)	113.4630	0.458	2	113.4630	0.210	2	113.3047	0.457	15	113.1278	0.575	18	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	3:4:2:1:	4:4:2:	C-4:N-3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:	O(CC[6a]CH)(NCC)	C(C[6a]C[6a]2)(CHHO)(ON)(H)	N(CCHP)(CC3)(OC)	O(CC[6a]CH)(NCC)	C(C[6a]C[6a]2)(CHHO)(ON)(H)	N(CCHP)(CC3)(OC)	113.5760	0.690	4	113.5760	0.477	4	113.3047	0.457	15	113.1278	0.575	18	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	3:4:2:1:	4:4:2:	C-4:N-3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:	O(CC[6a]CH)(NCC)	C(C[6a]C[6a]N[6a])(CH3)(ON)(H)	N(CCHP)(CC3)(OC)	O(CC[6a]CH)(NCC)	C(C[6a]C[6a]N[6a])(CH3)(ON)(H)	N(CCHP)(CC3)(OC)	112.8810	0.000	1	112.8810	0.000	1	113.3047	0.457	15	113.1278	0.575	18	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	3:4:2:1:	4:4:2:	C-4:N-3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-4:O-2:	O(CC[6a]CH)(NCC)	C(C[6a]C[6a]N[6a])(CHHO)(ON)(H)	N(CCHP)(CC3)(OC)	O(CC[6a]CH)(NCC)	C(C[6a]C[6a]N[6a])(CHHO)(ON)(H)	N(CCHP)(CC3)(OC)	111.6330	0.000	1	111.6330	0.000	1	113.3047	0.457	15	113.1278	0.575	18	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	3:4:2:1:	4:4:2:	C-4:N-3:	C[6a]-3:C-4:O-2:H-1:	C[3x6]-4:C[3x6]-4:O-2:	O(CC[6a]CH)(NC[3x6]2)	C(C[6a]C[6a]2)(CHHO)(ON)(H)	N(C[3x6]C[6,6]3)2(OC)	O(CC[6a]CH)(NC[3x6]2)	C(C[6a]C[6a]2)(CHHO)(ON)(H)	N(C[3x6]C[6,6]3)2(OC)	112.7220	0.000	1	112.7220	0.000	1	112.7220	0.000	1	113.1278	0.575	18	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	4:2:1:1:	2:1:1:	C-4:N-3:	C-4:O-2:H-1:H-1:	O-2:H-1:H-1:	O(CCHH)(NHH)	C(CCHH)(ON)(H)2	N(OC)(H)2	O(CCHH)(NHH)	C(CCHH)(ON)(H)2	N(OC)(H)2	108.1880	0.000	1	108.1880	0.000	1	108.1880	0.000	1	108.1880	0.000	1	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	4:2:1:1:	3:2:1:	C-4:N-3:	C[3]-4:O-2:H-1:H-1:	C-3:O-2:H-1:	O(CC[3]HH)(NCH)	C(C[3]C[3]O[3]C)(ON)(H)2	N(CNO)(OC)(H)	O(CC[3]HH)(NCH)	C(C[3]C[3]O[3]C)(ON)(H)2	N(CNO)(OC)(H)	108.2600	0.000	1	108.2600	0.000	1	108.2600	0.000	1	108.2600	0.000	1	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	4:2:1:1:	3:2:2:	C-4:N-3:	C-4:O-2:H-1:H-1:	C-3:O-2:O-2:	O(CCHH)(NCO)	C(CH3)(ON)(H)2	N(CC[6a]O)(OC)2	O(CCHH)(NCO)	C(CH3)(ON)(H)2	N(CC[6a]O)(OC)2	111.3400	0.000	1	111.3400	0.000	1	111.3400	0.000	1	111.3400	0.000	1	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	4:2:1:1:	4:2:1:	C-4:N-3:	C-4:O-2:H-1:H-1:	S-4:O-2:H-1:	O(CCHH)(NHS)	C(CCHH)(ON)(H)2	N(SC[6a]OO)(OC)(H)	O(CCHH)(NHS)	C(CCHH)(ON)(H)2	N(SC[6a]OO)(OC)(H)	108.5410	0.574	2	108.5410	0.330	2	108.6843	0.226	3	108.6843	0.226	3	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	4:2:1:1:	4:2:1:	C-4:N-3:	C-4:O-2:H-1:H-1:	S-4:O-2:H-1:	O(CCHH)(NHS)	C(CHHO)(ON)(H)2	N(SC[6a]OO)(OC)(H)	O(CCHH)(NHS)	C(CHHO)(ON)(H)2	N(SC[6a]OO)(OC)(H)	108.9710	0.000	1	108.9710	0.000	1	108.6843	0.226	3	108.6843	0.226	3	110.0772	3.718	77	110.0772	3.718	77
893	490	956	0:SP3_SP3_SP3	O	C	N	4:3:	4:2:1:1:	4:3:2:	C-4:N-3:	C-4:O-2:H-1:H-1:	C-4:C-3:O-2:	O(CCHH)(NCC)	C(CH3)(ON)(H)2	N(CC[6a]HH)(CNN)(OC)	O(CCHH)(NCC)	C(CH3)(ON)(H)2	N(CC[6a]HH)(CNN)(OC)	109.6320	0.000	1	109.6320	0.000	1	109.6320	0.000	1	109.6320	0.000	1	110.0772	3.718	77	110.0772	3.718	77
893	490	969	0:SP3_SP-NON_SP3	O	C	Ga	3:4:	4:4:2:1:	2:2:1:	Ga-3:C-4:	C-4:C-4:O-2:H-1:	O-2:O-2:Cl-1:	O(GaClO)(CCCH)	C(CHHN)(CH3)(OGa)(H)	Ga(OC)2(Cl)	O(GaClO)(CCCH)	C(CHHN)(CH3)(OGa)(H)	Ga(OC)2(Cl)	116.4065	0.187	2	116.4065	0.035	2	116.4065	0.035	2	116.4065	0.035	2	119.0270	21.433	7	119.0270	21.433	7
893	490	969	0:SP3_SP-NON_SP3	O	C	Ga	4:3:	4:4:2:1:	2:2:2:	C-4:Ga-3:	C-4:C-4:O-2:H-1:	O-2:O-2:O-2:	O(CCCH)(GaOO)	C(CHHN)(CHHS)(OGa)(H)	Ga(OC)3	O(CCCH)(GaOO)	C(CHHN)(CHHS)(OGa)(H)	Ga(OC)3	121.4653	6.883	3	121.4653	47.375	3	121.4653	47.375	3	121.4653	47.375	3	119.0270	21.433	7	119.0270	21.433	7
893	490	969	0:SP3_SP-NON_SP3	O	C	Ga	4:3:	4:4:2:1:	4:2:2:	C-4:Ga-3:	C-4:C-4:O-2:H-1:	C-4:O-2:O-2:	O(CCCH)(GaCO)	C(CHHN)(CH3)(OGa)(H)	Ga(CH3)(OC)2	O(CCCH)(GaCO)	C(CHHN)(CH3)(OGa)(H)	Ga(CH3)(OC)2	117.9900	0.303	2	117.9900	0.092	2	117.9900	0.092	2	117.9900	0.092	2	119.0270	21.433	7	119.0270	21.433	7
893	490	979	0:SP2_SP2_SP3	O	C	Si	4:3:	3:4:2:1:	4:3:2:	C-4:Si-3:	C[6a]-3:C-4:O-2:H-1:	C-4:C-3:O-2:	O(CC[6a]CH)(SiCC)	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	Si(CH3)(CCC)(OC)	O(CC[6a]CH)(SiCC)	C(C[6a]C[6a]2)(CCHN)(OSi)(H)	Si(CH3)(CCC)(OC)	127.8220	0.000	1	127.8220	0.000	1	127.8220	0.000	1	127.8220	0.000	1	127.8220	0.000	1	127.8220	0.000	1
893	490	983	0:SP3_SP1_SP3	O	C	C	4:2:	2:1:1:1:	2:1:	C-4:C-2:	O-2:H-1:H-1:H-1:	O-2:O-1:	O(CH3)(CO)	C(OC)(H)3	C(OC)(O)	O(CH3)(CO)	C(OC)(H)3	C(OC)(O)	108.4950	0.000	1	108.4950	0.000	1	108.4950	0.000	1	108.4950	0.000	1	108.3276	12.821	5	108.3276	12.821	5
893	490	983	0:SP3_SP1_SP3	O	C	C	4:2:	4:2:1:1:	2:1:	C-4:C-2:	C-4:O-2:H-1:H-1:	O-2:O-1:	O(CCHH)(CO)	C(CH3)(OC)(H)2	C(OC)(O)	O(CCHH)(CO)	C(CH3)(OC)(H)2	C(OC)(O)	102.2260	0.000	1	102.2260	0.000	1	102.2260	0.000	1	102.2260	0.000	1	108.3276	12.821	5	108.3276	12.821	5
893	490	983	0:SP3_SP1_SP3	O	C	C	4:2:	4:2:1:1:	3:2:	C-4:C-2:	C[4]-4:O-2:H-1:H-1:	C[6a]-3:O-2:	O(CC[4]HH)(CC[6a])	C(C[4]C[4]N[4]H)(OC)(H)2	C(C[6a]C[6a]2)(OC)	O(CC[4]HH)(CC[6a])	C(C[4]C[4]N[4]H)(OC)(H)2	C(C[6a]C[6a]2)(OC)	110.0280	0.000	1	110.0280	0.000	1	110.0280	0.000	1	110.0280	0.000	1	108.3276	12.821	5	108.3276	12.821	5
893	490	983	0:SP3_SP1_SP3	O	C	C	4:2:	4:2:1:1:	4:2:	C-4:C-2:	C-4:O-2:H-1:H-1:	C-4:O-2:	O(CCHH)(CC)	C(CCHH)(OC)(H)2	C(CCHO)(OC)	O(CCHH)(CC)	C(CCHH)(OC)(H)2	C(CCHO)(OC)	111.4870	0.000	1	111.4870	0.000	1	110.4445	2.174	2	110.4445	2.174	2	108.3276	12.821	5	108.3276	12.821	5
893	490	983	0:SP3_SP1_SP3	O	C	C	4:2:	4:2:1:1:	4:2:	C-4:C-2:	C-4:O-2:H-1:H-1:	C-4:O-2:	O(CCHH)(CC)	C(CHHO)(OC)(H)2	C(CHHO)(OC)	O(CCHH)(CC)	C(CHHO)(OC)(H)2	C(CHHO)(OC)	109.4020	0.000	1	109.4020	0.000	1	110.4445	2.174	2	110.4445	2.174	2	108.3276	12.821	5	108.3276	12.821	5
893	490	984	0:SP3_SP-NON_SP3	O	C	Ga	4:4:	2:1:1:1:	3:4:4:2:	Ga-4:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:C-4:C-4:O-2:	O(GaC[5]CC)(CH3)	C(OGa)(H)3	Ga(C[5]N[5]2)(CH3)2(OC)	O(GaC[5]CC)(CH3)	C(OGa)(H)3	Ga(C[5]N[5]2)(CH3)2(OC)	121.2440	0.000	1	121.2440	0.000	1	121.2440	0.000	1	121.2440	0.000	1	121.5967	18.523	3	121.5967	18.523	3
893	490	984	0:SP3_SP-NON_SP3	O	C	Ga	4:4:	3:3:4:2:	3:4:4:2:	C-4:Ga-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6]-3:C-4:C-4:O-2:	O(CC[6a]2C)(GaC[6]CC)	C(C[6a]C[6a]2)2(CH3)(OGa)	Ga(C[6]N[6]2)(CH3)2(OC)	O(CC[6a]2C)(GaC[6]CC)	C(C[6a]C[6a]2)2(CH3)(OGa)	Ga(C[6]N[6]2)(CH3)2(OC)	126.0660	0.000	1	126.0660	0.000	1	126.0660	0.000	1	126.0660	0.000	1	121.5967	18.523	3	121.5967	18.523	3
893	490	984	0:SP3_SP-NON_SP3	O	C	Ga	4:4:	4:2:1:1:	3:4:4:2:	Ga-4:C-4:	C-4:O-2:H-1:H-1:	C[5]-3:C-4:C-4:O-2:	O(GaC[5]CC)(CCHH)	C(CHHO)(OGa)(H)2	Ga(C[5]N[5]2)(CH3)2(OC)	O(GaC[5]CC)(CCHH)	C(CHHO)(OGa)(H)2	Ga(C[5]N[5]2)(CH3)2(OC)	117.4800	0.000	1	117.4800	0.000	1	117.4800	0.000	1	117.4800	0.000	1	121.5967	18.523	3	121.5967	18.523	3
893	490	985	0:SP3_SP-NON_SP3	O	C	I	4:4:	2:1:1:1:	2:1:1:1:	I-4:C-4:	O-2:H-1:H-1:H-1:	O-2:F-1:F-1:O-1:	O(IFFO)(CH3)	C(OI)(H)3	I(OC)(F)2(O)	O(IFFO)(CH3)	C(OI)(H)3	I(OC)(F)2(O)	118.4000	0.000	1	118.4000	0.000	1	118.4000	0.000	1	118.4000	0.000	1	118.4000	0.000	1	118.4000	0.000	1
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	2:1:1:1:	C-4:P-4:	O-2:H-1:H-1:H-1:	O-2:O-1:O-1:O-1:	O(CH3)(PO3)	C(OP)(H)3	P(OC)(O)3	O(CH3)(PO3)	C(OP)(H)3	P(OC)(O)3	121.2600	0.000	1	121.2600	0.000	1	121.2600	0.000	1	121.2600	0.000	1	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	2:2:1:1:	C-4:P-4:	O-2:H-1:H-1:H-1:	O-2:O-2:O-1:O-1:	O(CH3)(PO3)	C(OP)(H)3	P(OC)2(O)2	O(CH3)(PO3)	C(OP)(H)3	P(OC)2(O)2	118.8930	0.873	6	118.8930	0.762	6	119.1584	1.128	7	119.4312	1.176	9	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	2:2:1:1:	C-4:P-4:	O-2:H-1:H-1:H-1:	O-2:O-2:O-1:O-1:	O(CH3)(PO3)	C(OP)(H)3	P(OC[6a])(OC)(O)2	O(CH3)(PO3)	C(OP)(H)3	P(OC[6a])(OC)(O)2	120.7510	0.000	1	120.7510	0.000	1	119.1584	1.128	7	119.4312	1.176	9	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	2:2:1:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	O-2:O-2:S-1:S-1:	O(POSS)(CH3)	C(OP)(H)3	P(OC)2(S)2	O(POSS)(CH3)	C(OP)(H)3	P(OC)2(S)2	120.3860	0.539	2	120.3860	0.290	2	120.3860	0.290	2	119.4312	1.176	9	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	2:2:2:1:	C-4:P-4:	O-2:H-1:H-1:H-1:	O-2:O-2:O-2:O-1:	O(CH3)(PO3)	C(OP)(H)3	P(OC)3(O)	O(CH3)(PO3)	C(OP)(H)3	P(OC)3(O)	118.5325	0.845	2	118.5325	0.714	2	120.2307	2.640	9	120.2631	2.016	34	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	2:2:2:1:	C-4:P-4:	O-2:H-1:H-1:H-1:	O-2:O-2:O-2:O-1:	O(CH3)(PO3)	C(OP)(H)3	P(OC[6])(OC)2(O)	O(CH3)(PO3)	C(OP)(H)3	P(OC[6])(OC)2(O)	120.7515	1.430	2	120.7515	2.046	2	120.2307	2.640	9	120.2631	2.016	34	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	2:2:2:1:	C-4:P-4:	O-2:H-1:H-1:H-1:	O-2:O-2:O-2:O-1:	O(CH3)(PO3)	C(OP)(H)3	P(OC[6a])(OC)(OH)(O)	O(CH3)(PO3)	C(OP)(H)3	P(OC[6a])(OC)(OH)(O)	120.2220	0.000	1	120.2220	0.000	1	120.2307	2.640	9	120.2631	2.016	34	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	2:2:2:1:	C-4:P-4:	O-2:H-1:H-1:H-1:	O-2:O-2:O-2:O-1:	O(CH3)(PO3)	C(OP)(H)3	P(OC[6a])(OC)2(O)	O(CH3)(PO3)	C(OP)(H)3	P(OC[6a])(OC)2(O)	120.8215	1.885	4	120.8215	3.552	4	120.2307	2.640	9	120.2631	2.016	34	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	2:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-2:O-2:O-2:O-1:	O(PCOO)(CH3)	C(OP)(H)3	P(CC)(OC)2(O)	O(PCOO)(CH3)	C(OP)(H)3	P(CC)(OC)2(O)	119.9125	1.252	2	119.9125	1.568	2	119.9125	1.568	2	120.2631	2.016	34	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	2:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	N-2:O-2:O-2:O-1:	O(PNOO)(CH3)	C(OP)(H)3	P(NS)(OC)2(O)	O(PNOO)(CH3)	C(OP)(H)3	P(NS)(OC)2(O)	118.7885	0.941	2	118.7885	0.886	2	118.7885	0.886	2	120.2631	2.016	34	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	2:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	O-2:O-2:O-2:S-1:	O(POOS)(CH3)	C(OP)(H)3	P(OC[6a])(OC)2(S)	O(POOS)(CH3)	C(OP)(H)3	P(OC[6a])(OC)2(S)	121.5320	0.920	5	121.5320	0.847	5	121.5320	0.847	5	120.2631	2.016	34	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	2:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	O-2:O-2:S-2:S-1:	O(POSS)(CH3)	C(OP)(H)3	P(OC)2(SC)(S)	O(POSS)(CH3)	C(OP)(H)3	P(OC)2(SC)(S)	120.4977	1.273	6	120.4977	1.620	6	120.4977	1.620	6	120.2631	2.016	34	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	2:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	S-2:O-2:O-2:O-1:	O(POOS)(CH3)	C(OP)(H)3	P(SPd)(OC)2(O)	O(POOS)(CH3)	C(OP)(H)3	P(SPd)(OC)2(O)	119.4845	2.250	4	119.4845	5.064	4	119.4845	5.064	4	120.2631	2.016	34	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	2:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	S-2:O-2:O-2:S-1:	O(POSS)(CH3)	C(OP)(H)3	P(SAs)(OC)2(S)	O(POSS)(CH3)	C(OP)(H)3	P(SAs)(OC)2(S)	120.1475	0.398	6	120.1475	0.158	6	120.1475	0.158	6	120.2631	2.016	34	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:1:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:O-2:S-1:S-1:	O(PC[6a]SS)(CH3)	C(OP)(H)3	P(C[6a]C[6a]2)(OC)(S)2	O(PC[6a]SS)(CH3)	C(OP)(H)3	P(C[6a]C[6a]2)(OC)(S)2	119.4365	0.759	2	119.4365	0.576	2	119.4365	0.576	2	119.0913	0.645	3	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:1:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	N-3:O-2:O-1:O-1:	O(PNOO)(CH3)	C(OP)(H)3	P(NCH)(OC)(O)2	O(PNOO)(CH3)	C(OP)(H)3	P(NCH)(OC)(O)2	118.4010	0.000	1	118.4010	0.000	1	118.4010	0.000	1	119.0913	0.645	3	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-3:O-2:O-2:O-1:	O(PCOO)(CH3)	C(OP)(H)3	P(CCC)(OC)2(O)	O(PCOO)(CH3)	C(OP)(H)3	P(CCC)(OC)2(O)	121.8806	2.025	16	121.8806	4.099	16	121.1193	4.311	32	121.1695	5.062	113	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-3:O-2:O-2:O-1:	O(PCOO)(CH3)	C(OP)(H)3	P(CCH)(OC)2(O)	O(PCOO)(CH3)	C(OP)(H)3	P(CCH)(OC)2(O)	119.9220	1.403	4	119.9220	1.970	4	121.1193	4.311	32	121.1695	5.062	113	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-3:O-2:O-2:O-1:	O(PCOO)(CH3)	C(OP)(H)3	P(CCN)(OC)2(O)	O(PCOO)(CH3)	C(OP)(H)3	P(CCN)(OC)2(O)	120.7275	0.798	2	120.7275	0.637	2	121.1193	4.311	32	121.1695	5.062	113	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-3:O-2:O-2:O-1:	O(PCOO)(CH3)	C(OP)(H)3	P(CC[6]N)(OC)2(O)	O(PCOO)(CH3)	C(OP)(H)3	P(CC[6]N)(OC)2(O)	117.0515	3.037	2	117.0515	9.224	2	121.1193	4.311	32	121.1695	5.062	113	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-3:O-2:O-2:O-1:	O(PCOO)(CH3)	C(OP)(H)3	P(CC[6a]C)(OC)2(O)	O(PCOO)(CH3)	C(OP)(H)3	P(CC[6a]C)(OC)2(O)	121.7330	1.007	2	121.7330	1.014	2	121.1193	4.311	32	121.1695	5.062	113	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-3:O-2:O-2:O-1:	O(PCOO)(CH3)	C(OP)(H)3	P(CC[6a]N)(OC)2(O)	O(PCOO)(CH3)	C(OP)(H)3	P(CC[6a]N)(OC)2(O)	121.6665	1.798	2	121.6665	3.233	2	121.1193	4.311	32	121.1695	5.062	113	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-3:O-2:O-2:O-1:	O(PCOO)(CH3)	C(OP)(H)3	P(CC[6a]O)(OC)2(O)	O(PCOO)(CH3)	C(OP)(H)3	P(CC[6a]O)(OC)2(O)	121.4775	0.548	2	121.4775	0.300	2	121.1193	4.311	32	121.1695	5.062	113	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-3:O-2:O-2:O-1:	O(PCOO)(CH3)	C(OP)(H)3	P(CPP)(OC)2(O)	O(PCOO)(CH3)	C(OP)(H)3	P(CPP)(OC)2(O)	120.3645	0.834	2	120.3645	0.695	2	121.1193	4.311	32	121.1695	5.062	113	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:O-2:O-2:O-1:	O(PC[5]OO)(CH3)	C(OP)(H)3	P(C[5]C[5]2)(OC)2(O)	O(PC[5]OO)(CH3)	C(OP)(H)3	P(C[5]C[5]2)(OC)2(O)	120.3255	0.480	2	120.3255	0.231	2	121.2557	3.707	10	121.1695	5.062	113	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C[5]-3:O-2:O-2:O-1:	O(PC[5]OO)(CH3)	C(OP)(H)3	P(C[5]C[5]N[5])(OC)2(O)	O(PC[5]OO)(CH3)	C(OP)(H)3	P(C[5]C[5]N[5])(OC)2(O)	121.4882	2.104	8	121.4882	4.425	8	121.2557	3.707	10	121.1695	5.062	113	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:O-2:O-2:O-1:	O(PC[5a]OO)(CH3)	C(OP)(H)3	P(C[5a]C[5,5a]N[5a])(OC)2(O)	O(PC[5a]OO)(CH3)	C(OP)(H)3	P(C[5a]C[5,5a]N[5a])(OC)2(O)	122.1525	0.610	2	122.1525	0.372	2	121.2579	4.183	14	121.1695	5.062	113	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:O-2:O-2:O-1:	O(PC[5a]OO)(CH3)	C(OP)(H)3	P(C[5a]C[5a,6a]N[5a])(OC)2(O)	O(PC[5a]OO)(CH3)	C(OP)(H)3	P(C[5a]C[5a,6a]N[5a])(OC)2(O)	121.5265	0.763	2	121.5265	0.582	2	121.2579	4.183	14	121.1695	5.062	113	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:O-2:O-2:O-1:	O(PC[5a]OO)(CH3)	C(OP)(H)3	P(C[5a]C[5a]N[5a])(OC)2(O)	O(PC[5a]OO)(CH3)	C(OP)(H)3	P(C[5a]C[5a]N[5a])(OC)2(O)	121.2691	2.621	8	121.2691	6.869	8	121.2579	4.183	14	121.1695	5.062	113	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C[5a]-3:O-2:O-2:O-1:	O(PC[5a]OO)(CH3)	C(OP)(H)3	P(C[5a]C[5a]S[5a])(OC)2(O)	O(PC[5a]OO)(CH3)	C(OP)(H)3	P(C[5a]C[5a]S[5a])(OC)2(O)	120.0500	0.820	2	120.0500	0.673	2	121.2579	4.183	14	121.1695	5.062	113	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:O-2:O-2:O-1:	O(PC[6]OO)(CH3)	C(OP)(H)3	P(C[6]C[5a,6]C[6])(OC)2(O)	O(PC[6]OO)(CH3)	C(OP)(H)3	P(C[6]C[5a,6]C[6])(OC)2(O)	123.0430	2.301	2	123.0430	5.294	2	120.8952	4.882	6	121.1695	5.062	113	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:O-2:O-2:O-1:	O(PC[6]OO)(CH3)	C(OP)(H)3	P(C[6]C[6,6a]C[6])(OC)2(O)	O(PC[6]OO)(CH3)	C(OP)(H)3	P(C[6]C[6,6a]C[6])(OC)2(O)	119.2765	1.409	2	119.2765	1.986	2	120.8952	4.882	6	121.1695	5.062	113	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C[6]-3:O-2:O-2:O-1:	O(PC[6]OO)(CH3)	C(OP)(H)3	P(C[6]C[6]O[6])(OC)2(O)	O(PC[6]OO)(CH3)	C(OP)(H)3	P(C[6]C[6]O[6])(OC)2(O)	120.3660	1.451	2	120.3660	2.105	2	120.8952	4.882	6	121.1695	5.062	113	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:O-2:O-2:O-1:	O(PC[6a]OO)(CH3)	C(OP)(H)3	P(C[6a]C[6a,6a]C[6a])(OC)2(O)	O(PC[6a]OO)(CH3)	C(OP)(H)3	P(C[6a]C[6a,6a]C[6a])(OC)2(O)	120.1767	2.323	6	120.1767	5.394	6	121.5043	8.211	10	121.1695	5.062	113	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:O-2:O-2:O-1:	O(PC[6a]OO)(CH3)	C(OP)(H)3	P(C[6a]C[6a]2)(OC)2(O)	O(PC[6a]OO)(CH3)	C(OP)(H)3	P(C[6a]C[6a]2)(OC)2(O)	124.6775	2.881	2	124.6775	8.303	2	121.5043	8.211	10	121.1695	5.062	113	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:O-2:O-2:O-1:	O(PC[6a]OO)(CH3)	C(OP)(H)3	P(C[6a]C[6a]N[6a])(OC)2(O)	O(PC[6a]OO)(CH3)	C(OP)(H)3	P(C[6a]C[6a]N[6a])(OC)2(O)	122.3140	2.568	2	122.3140	6.596	2	121.5043	8.211	10	121.1695	5.062	113	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:O-2:O-2:S-1:	O(PC[6a]OS)(CH3)	C(OP)(H)3	P(C[6a]C[6a,6a]C[6a])(OC)2(S)	O(PC[6a]OS)(CH3)	C(OP)(H)3	P(C[6a]C[6a,6a]C[6a])(OC)2(S)	123.2460	4.381	2	123.2460	19.195	2	123.2460	19.195	2	121.1695	5.062	113	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:S-2:O-2:S-1:	O(PC[6a]SS)(CH3)	C(OP)(H)3	P(C[6a]C[6a]2)(SNi)(OC)(S)	O(PC[6a]SS)(CH3)	C(OP)(H)3	P(C[6a]C[6a]2)(SNi)(OC)(S)	120.5427	1.843	3	120.5427	3.398	3	120.5427	3.398	3	121.1695	5.062	113	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	N-3:O-2:O-2:O-1:	O(PNOO)(CH3)	C(OP)(H)3	P(NCH)(OC)2(O)	O(PNOO)(CH3)	C(OP)(H)3	P(NCH)(OC)2(O)	122.8685	3.976	4	122.8685	15.810	4	121.0716	10.217	12	121.1695	5.062	113	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	N-3:O-2:O-2:O-1:	O(PNOO)(CH3)	C(OP)(H)3	P(NC[6a]H)(OC)2(O)	O(PNOO)(CH3)	C(OP)(H)3	P(NC[6a]H)(OC)2(O)	119.3870	1.434	4	119.3870	2.056	4	121.0716	10.217	12	121.1695	5.062	113	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	N-3:O-2:O-2:O-1:	O(PNOO)(CH3)	C(OP)(H)3	P(NHN)(OC)2(O)	O(PNOO)(CH3)	C(OP)(H)3	P(NHN)(OC)2(O)	120.9592	3.390	4	120.9592	11.492	4	121.0716	10.217	12	121.1695	5.062	113	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	N-3:O-2:O-2:S-1:	O(PNOS)(CH3)	C(OP)(H)3	P(NCC)(OC)2(S)	O(PNOS)(CH3)	C(OP)(H)3	P(NCC)(OC)2(S)	119.5885	0.279	2	119.5885	0.078	2	121.0006	4.025	20	121.1695	5.062	113	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	N-3:O-2:O-2:S-1:	O(PNOS)(CH3)	C(OP)(H)3	P(NCN)(OC)2(S)	O(PNOS)(CH3)	C(OP)(H)3	P(NCN)(OC)2(S)	121.2198	1.757	6	121.2198	3.087	6	121.0006	4.025	20	121.1695	5.062	113	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	N-3:O-2:O-2:S-1:	O(PNOS)(CH3)	C(OP)(H)3	P(NC[6a]H)(OC)2(S)	O(PNOS)(CH3)	C(OP)(H)3	P(NC[6a]H)(OC)2(S)	121.5298	2.869	4	121.5298	8.232	4	121.0006	4.025	20	121.1695	5.062	113	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	N-3:O-2:O-2:S-1:	O(PNOS)(CH3)	C(OP)(H)3	P(NC[6a]P)(OC)2(S)	O(PNOS)(CH3)	C(OP)(H)3	P(NC[6a]P)(OC)2(S)	121.0430	2.533	4	121.0430	6.419	4	121.0006	4.025	20	121.1695	5.062	113	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	N-3:O-2:O-2:S-1:	O(PNOS)(CH3)	C(OP)(H)3	P(NHN)(OC)2(S)	O(PNOS)(CH3)	C(OP)(H)3	P(NHN)(OC)2(S)	121.7915	2.261	2	121.7915	5.110	2	121.0006	4.025	20	121.1695	5.062	113	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	N-3:O-2:O-2:S-1:	O(PNOS)(CH3)	C(OP)(H)3	P(NN[5]H)(OC)2(S)	O(PNOS)(CH3)	C(OP)(H)3	P(NN[5]H)(OC)2(S)	119.8215	1.569	2	119.8215	2.462	2	121.0006	4.025	20	121.1695	5.062	113	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	N-3:O-2:O-2:Se-1:	O(PSeNO)(CH3)	C(OP)(H)3	P(NC[6a]P)(OC)2(Se)	O(PSeNO)(CH3)	C(OP)(H)3	P(NC[6a]P)(OC)2(Se)	121.1900	2.584	4	121.1900	6.676	4	121.1900	6.676	4	121.1695	5.062	113	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:2:2:	C-4:P-4:	O-2:H-1:H-1:H-1:	O-3:O-2:O-2:O-2:	O(CH3)(PO3)	C(OP)(H)3	P(OZn2)(OZn)(OC)2	O(CH3)(PO3)	C(OP)(H)3	P(OZn2)(OZn)(OC)2	117.9121	0.721	16	117.9121	0.520	16	117.9121	0.520	16	118.2618	1.215	19	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:2:2:2:	P-4:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:S-2:S-2:O-2:	O(PC[6a]SS)(CH3)	C(OP)(H)3	P(C[6a]C[6a]2)(SNi)2(OC)	O(PC[6a]SS)(CH3)	C(OP)(H)3	P(C[6a]C[6a]2)(SNi)2(OC)	120.1270	0.914	3	120.1270	0.836	3	120.1270	0.836	3	118.2618	1.215	19	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:3:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:O-1:	O(PC[6a]2O)(CH3)	C(OP)(H)3	P(C[6a]C[6a]2)2(OC)(O)	O(PC[6a]2O)(CH3)	C(OP)(H)3	P(C[6a]C[6a]2)2(OC)(O)	118.1510	0.000	1	118.1510	0.000	1	118.1510	0.000	1	118.1510	0.000	1	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:3:2:2:	P-4:C-4:	O-2:H-1:H-1:H-1:	S-3:S-3:O-2:O-2:	O(POSS)(CH3)	C(OP)(H)3	P(SCu2)2(OC)2	O(POSS)(CH3)	C(OP)(H)3	P(SCu2)2(OC)2	121.3645	0.285	2	121.3645	0.081	2	121.3645	0.081	2	121.3645	0.081	2	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	3:4:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	N-3:C-4:O-2:O-1:	O(PCNO)(CH3)	C(OP)(H)3	P(NC[6]C)(CHHO)(OC)(O)	O(PCNO)(CH3)	C(OP)(H)3	P(NC[6]C)(CHHO)(OC)(O)	121.2805	1.124	2	121.2805	1.262	2	121.2805	1.262	2	121.2805	1.262	2	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:1:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-4:O-2:O-1:O-1:	O(PCOO)(CH3)	C(OP)(H)3	P(CCCN)(OC)(O)2	O(PCOO)(CH3)	C(OP)(H)3	P(CCCN)(OC)(O)2	121.9460	0.000	1	121.9460	0.000	1	122.0650	0.028	2	122.0650	0.028	2	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:1:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-4:O-2:O-1:O-1:	O(PCOO)(CH3)	C(OP)(H)3	P(CCHO)(OC)(O)2	O(PCOO)(CH3)	C(OP)(H)3	P(CCHO)(OC)(O)2	122.1840	0.000	1	122.1840	0.000	1	122.0650	0.028	2	122.0650	0.028	2	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	B-4:O-2:O-2:O-1:	O(PBOO)(CH3)	C(OP)(H)3	P(BH3)(OC)2(O)	O(PBOO)(CH3)	C(OP)(H)3	P(BH3)(OC)2(O)	121.2460	0.006	2	121.2460	0.000	2	121.2460	0.000	2	121.9018	4.205	142	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	O(PCOO)(CH3)	C(OP)(H)3	P(CCCH)(OC)2(O)	O(PCOO)(CH3)	C(OP)(H)3	P(CCCH)(OC)2(O)	124.4373	1.346	4	124.4373	1.812	4	121.9033	4.062	105	121.9018	4.205	142	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	O(PCOO)(CH3)	C(OP)(H)3	P(CCCO)(OC)2(O)	O(PCOO)(CH3)	C(OP)(H)3	P(CCCO)(OC)2(O)	120.0595	2.913	2	120.0595	8.483	2	121.9033	4.062	105	121.9018	4.205	142	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	O(PCOO)(CH3)	C(OP)(H)3	P(CCHH)(OC)2(O)	O(PCOO)(CH3)	C(OP)(H)3	P(CCHH)(OC)2(O)	122.1644	1.961	5	122.1644	3.846	5	121.9033	4.062	105	121.9018	4.205	142	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	O(PCOO)(CH3)	C(OP)(H)3	P(CCHN)(OC)2(O)	O(PCOO)(CH3)	C(OP)(H)3	P(CCHN)(OC)2(O)	122.2120	1.160	2	122.2120	1.345	2	121.9033	4.062	105	121.9018	4.205	142	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	O(PCOO)(CH3)	C(OP)(H)3	P(CCHO)(OC)2(O)	O(PCOO)(CH3)	C(OP)(H)3	P(CCHO)(OC)2(O)	121.3280	1.584	12	121.3280	2.510	12	121.9033	4.062	105	121.9018	4.205	142	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	O(PCOO)(CH3)	C(OP)(H)3	P(CCHP)(OC)2(O)	O(PCOO)(CH3)	C(OP)(H)3	P(CCHP)(OC)2(O)	122.7422	1.624	4	122.7422	2.636	4	121.9033	4.062	105	121.9018	4.205	142	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	O(PCOO)(CH3)	C(OP)(H)3	P(CC[3]HO)(OC)2(O)	O(PCOO)(CH3)	C(OP)(H)3	P(CC[3]HO)(OC)2(O)	121.7495	1.320	4	121.7495	1.742	4	121.9033	4.062	105	121.9018	4.205	142	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	O(PCOO)(CH3)	C(OP)(H)3	P(CC[5a]CH)(OC)2(O)	O(PCOO)(CH3)	C(OP)(H)3	P(CC[5a]CH)(OC)2(O)	120.1945	3.019	2	120.1945	9.112	2	121.9033	4.062	105	121.9018	4.205	142	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	O(PCOO)(CH3)	C(OP)(H)3	P(CC[5a]HO)(OC)2(O)	O(PCOO)(CH3)	C(OP)(H)3	P(CC[5a]HO)(OC)2(O)	123.4455	3.219	2	123.4455	10.365	2	121.9033	4.062	105	121.9018	4.205	142	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	O(PCOO)(CH3)	C(OP)(H)3	P(CC[6]HN)(OC)2(O)	O(PCOO)(CH3)	C(OP)(H)3	P(CC[6]HN)(OC)2(O)	118.6750	0.000	1	118.6750	0.000	1	121.9033	4.062	105	121.9018	4.205	142	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	O(PCOO)(CH3)	C(OP)(H)3	P(CC[6]HO)(OC)2(O)	O(PCOO)(CH3)	C(OP)(H)3	P(CC[6]HO)(OC)2(O)	121.8940	2.117	2	121.8940	4.482	2	121.9033	4.062	105	121.9018	4.205	142	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	O(PCOO)(CH3)	C(OP)(H)3	P(CC[6a]CH)(OC)2(O)	O(PCOO)(CH3)	C(OP)(H)3	P(CC[6a]CH)(OC)2(O)	120.8472	2.050	6	120.8472	4.202	6	121.9033	4.062	105	121.9018	4.205	142	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	O(PCOO)(CH3)	C(OP)(H)3	P(CC[6a]CN)(OC)2(O)	O(PCOO)(CH3)	C(OP)(H)3	P(CC[6a]CN)(OC)2(O)	122.5200	0.000	1	122.5200	0.000	1	121.9033	4.062	105	121.9018	4.205	142	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	O(PCOO)(CH3)	C(OP)(H)3	P(CC[6a]CO)(OC)2(O)	O(PCOO)(CH3)	C(OP)(H)3	P(CC[6a]CO)(OC)2(O)	123.0051	2.240	12	123.0051	5.016	12	121.9033	4.062	105	121.9018	4.205	142	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	O(PCOO)(CH3)	C(OP)(H)3	P(CC[6a]C[3]O)(OC)2(O)	O(PCOO)(CH3)	C(OP)(H)3	P(CC[6a]C[3]O)(OC)2(O)	121.4335	2.402	2	121.4335	5.770	2	121.9033	4.062	105	121.9018	4.205	142	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	O(PCOO)(CH3)	C(OP)(H)3	P(CC[6a]HH)(OC)2(O)	O(PCOO)(CH3)	C(OP)(H)3	P(CC[6a]HH)(OC)2(O)	121.1020	1.740	4	121.1020	3.026	4	121.9033	4.062	105	121.9018	4.205	142	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	O(PCOO)(CH3)	C(OP)(H)3	P(CC[6a]HN)(OC)2(O)	O(PCOO)(CH3)	C(OP)(H)3	P(CC[6a]HN)(OC)2(O)	121.2186	2.199	18	121.2186	4.837	18	121.9033	4.062	105	121.9018	4.205	142	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	O(PCOO)(CH3)	C(OP)(H)3	P(CC[6a]HO)(OC)2(O)	O(PCOO)(CH3)	C(OP)(H)3	P(CC[6a]HO)(OC)2(O)	122.0214	1.774	16	122.0214	3.146	16	121.9033	4.062	105	121.9018	4.205	142	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-4:O-2:O-2:O-1:	O(PCOO)(CH3)	C(OP)(H)3	P(CClCH)(OC)2(O)	O(PCOO)(CH3)	C(OP)(H)3	P(CClCH)(OC)2(O)	122.9787	1.045	6	122.9787	1.092	6	121.9033	4.062	105	121.9018	4.205	142	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-4:O-2:O-2:S-1:	O(PCOS)(CH3)	C(OP)(H)3	P(CH3)(OC)2(S)	O(PCOS)(CH3)	C(OP)(H)3	P(CH3)(OC)2(S)	119.1660	0.000	1	119.1660	0.000	1	119.1660	0.000	1	121.9018	4.205	142	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C[4]-4:O-2:O-2:O-1:	O(PC[4]OO)(CH3)	C(OP)(H)3	P(C[4]C[4]N[4]C)(OC)2(O)	O(PC[4]OO)(CH3)	C(OP)(H)3	P(C[4]C[4]N[4]C)(OC)2(O)	119.3615	0.291	2	119.3615	0.084	2	119.3615	0.084	2	121.9018	4.205	142	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:O-2:O-2:O-1:	O(PC[5]OO)(CH3)	C(OP)(H)3	P(C[5]C[3x5,6]N[5]H)(OC)2(O)	O(PC[5]OO)(CH3)	C(OP)(H)3	P(C[5]C[3x5,6]N[5]H)(OC)2(O)	122.9813	1.607	4	122.9813	2.584	4	122.1176	4.043	20	121.9018	4.205	142	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:O-2:O-2:O-1:	O(PC[5]OO)(CH3)	C(OP)(H)3	P(C[5]C[5,6a]O[5]H)(OC)2(O)	O(PC[5]OO)(CH3)	C(OP)(H)3	P(C[5]C[5,6a]O[5]H)(OC)2(O)	125.0625	0.528	2	125.0625	0.279	2	122.1176	4.043	20	121.9018	4.205	142	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:O-2:O-2:O-1:	O(PC[5]OO)(CH3)	C(OP)(H)3	P(C[5]C[5]N[5]H)(OC)2(O)	O(PC[5]OO)(CH3)	C(OP)(H)3	P(C[5]C[5]N[5]H)(OC)2(O)	121.3840	1.591	4	121.3840	2.532	4	122.1176	4.043	20	121.9018	4.205	142	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:O-2:O-2:O-1:	O(PC[5]OO)(CH3)	C(OP)(H)3	P(C[5]C[5]O[5]H)(OC)2(O)	O(PC[5]OO)(CH3)	C(OP)(H)3	P(C[5]C[5]O[5]H)(OC)2(O)	121.7873	2.063	8	121.7873	4.258	8	122.1176	4.043	20	121.9018	4.205	142	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:O-2:O-2:O-1:	O(PC[5]OO)(CH3)	C(OP)(H)3	P(C[5]S[5]2H)(OC)2(O)	O(PC[5]OO)(CH3)	C(OP)(H)3	P(C[5]S[5]2H)(OC)2(O)	120.2340	0.973	2	120.2340	0.947	2	122.1176	4.043	20	121.9018	4.205	142	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:O-2:O-2:O-1:	O(PC[6]OO)(CH3)	C(OP)(H)3	P(C[6]C[6,6a]N[6]C)(OC)2(O)	O(PC[6]OO)(CH3)	C(OP)(H)3	P(C[6]C[6,6a]N[6]C)(OC)2(O)	125.3290	3.864	2	125.3290	14.928	2	122.2897	6.327	12	121.9018	4.205	142	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:O-2:O-2:O-1:	O(PC[6]OO)(CH3)	C(OP)(H)3	P(C[6]C[6,6a]N[6]H)(OC)2(O)	O(PC[6]OO)(CH3)	C(OP)(H)3	P(C[6]C[6,6a]N[6]H)(OC)2(O)	121.8315	2.911	2	121.8315	8.475	2	122.2897	6.327	12	121.9018	4.205	142	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:O-2:O-2:O-1:	O(PC[6]OO)(CH3)	C(OP)(H)3	P(C[6]C[6]2H)(OC)2(O)	O(PC[6]OO)(CH3)	C(OP)(H)3	P(C[6]C[6]2H)(OC)2(O)	121.8560	2.358	4	121.8560	5.560	4	122.2897	6.327	12	121.9018	4.205	142	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C[6]-4:O-2:O-2:O-1:	O(PC[6]OO)(CH3)	C(OP)(H)3	P(C[6]C[6]N[6]H)(OC)2(O)	O(PC[6]OO)(CH3)	C(OP)(H)3	P(C[6]C[6]N[6]H)(OC)2(O)	121.4327	1.520	4	121.4327	2.309	4	122.2897	6.327	12	121.9018	4.205	142	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:2:2:	P-4:C-4:	O-2:H-1:H-1:H-1:	B-4:O-2:O-2:O-2:	O(PBOO)(CH3)	C(OP)(H)3	P(BC[6a]3)(OC)3	O(PBOO)(CH3)	C(OP)(H)3	P(BC[6a]3)(OC)3	125.3093	2.188	3	125.3093	4.786	3	125.3093	4.786	3	123.2192	10.687	5	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:2:2:2:	P-4:C-4:	O-2:H-1:H-1:H-1:	C[5]-4:S-2:S-2:O-2:	O(PC[5]SS)(CH3)	C(OP)(H)3	P(C[5]C[5]2Fe)(SZn)2(OC)	O(PC[5]SS)(CH3)	C(OP)(H)3	P(C[5]C[5]2Fe)(SZn)2(OC)	120.0840	0.641	2	120.0840	0.410	2	120.0840	0.410	2	123.2192	10.687	5	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:3:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-4:N-3:O-2:O-1:	O(PCNO)(CH3)	C(OP)(H)3	P(CHHO)(NCC)(OC)(O)	O(PCNO)(CH3)	C(OP)(H)3	P(CHHO)(NCC)(OC)(O)	118.9480	0.000	1	118.9480	0.000	1	118.9480	0.000	1	118.9480	0.000	1	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:4:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-4:C-4:O-2:O-1:	O(PCCO)(CH3)	C(OP)(H)3	P(CCHN)(CHHO)(OC)(O)	O(PCCO)(CH3)	C(OP)(H)3	P(CCHN)(CHHO)(OC)(O)	120.0210	0.000	1	120.0210	0.000	1	119.2993	0.597	3	119.2993	0.597	3	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:4:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-4:C-4:O-2:O-1:	O(PCCO)(CH3)	C(OP)(H)3	P(CC[6a]2F)2(OC)(O)	O(PCCO)(CH3)	C(OP)(H)3	P(CC[6a]2F)2(OC)(O)	118.4840	0.000	1	118.4840	0.000	1	119.2993	0.597	3	119.2993	0.597	3	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:1:1:1:	4:4:2:1:	P-4:C-4:	O-2:H-1:H-1:H-1:	C-4:C-4:O-2:O-1:	O(PCCO)(CH3)	C(OP)(H)3	P(CC[6a]CN)(CHHO)(OC)(O)	O(PCCO)(CH3)	C(OP)(H)3	P(CC[6a]CN)(CHHO)(OC)(O)	119.3930	0.000	1	119.3930	0.000	1	119.2993	0.597	3	119.2993	0.597	3	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	2:2:1:1:	4:2:2:1:	C-4:P-4:	O-2:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CHHO)(PCOO)	C(OC)(OP)(H)2	P(CHHO)(OC)2(O)	O(CHHO)(PCOO)	C(OC)(OP)(H)2	P(CHHO)(OC)2(O)	122.9895	1.405	4	122.9895	1.973	4	122.9895	1.973	4	122.9895	1.973	4	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	3:2:1:1:	2:1:1:1:	C-4:P-4:	C-3:O-2:H-1:H-1:	O-2:O-1:O-1:O-1:	O(CCHH)(PO3)	C(COO)(OP)(H)2	P(OC)(O)3	O(CCHH)(PO3)	C(COO)(OP)(H)2	P(OC)(O)3	118.0360	2.357	2	118.0360	5.558	2	118.0360	5.558	2	118.0360	5.558	2	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	3:2:1:1:	2:2:1:1:	C-4:P-4:	C-3:O-2:H-1:H-1:	O-2:O-2:O-1:O-1:	O(CCHH)(PO3)	C(COO)(OP)(H)2	P(OC)(OH)(O)2	O(CCHH)(PO3)	C(COO)(OP)(H)2	P(OC)(OH)(O)2	118.7056	0.850	5	118.7056	0.722	5	118.7056	0.722	5	119.3914	1.832	8	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	3:2:1:1:	2:2:1:1:	C-4:P-4:	C[6a]-3:O-2:H-1:H-1:	O-2:O-2:S-1:S-1:	O(CC[6a]HH)(POSS)	C(C[6a]C[6a]2)(OP)(H)2	P(OC)2(S)2	O(CC[6a]HH)(POSS)	C(C[6a]C[6a]2)(OP)(H)2	P(OC)2(S)2	119.9145	1.166	2	119.9145	1.360	2	119.9145	1.360	2	119.3914	1.832	8	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	3:2:1:1:	2:2:1:1:	C-4:P-4:	C[6a]-3:O-2:H-1:H-1:	O-2:S-2:O-1:S-1:	O(CC[6a]HH)(POSS)	C(C[6a]C[6a]2)(OP)(H)2	P(OC)(SC)(O)(S)	O(CC[6a]HH)(POSS)	C(C[6a]C[6a]2)(OP)(H)2	P(OC)(SC)(O)(S)	121.7740	0.000	1	121.7740	0.000	1	121.7740	0.000	1	119.3914	1.832	8	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	3:2:1:1:	2:2:2:1:	C-4:P-4:	C[6]-3:O-2:H-1:H-1:	Se-2:O-2:O-2:S-1:	O(CC[6]HH)(PSeOS)	C(C[6]C[5,6]O[6])(OP)(H)2	P(SeSe)(OC)2(S)	O(CC[6]HH)(PSeOS)	C(C[6]C[5,6]O[6])(OP)(H)2	P(SeSe)(OC)2(S)	120.7540	0.000	1	120.7540	0.000	1	120.7540	0.000	1	120.5684	4.843	14	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	3:2:1:1:	2:2:2:1:	C-4:P-4:	C[6a]-3:O-2:H-1:H-1:	N-2:O-2:O-2:O-1:	O(CC[6a]HH)(PNOO)	C(C[6a]C[6a]2)(OP)(H)2	P(NC)(OC)2(O)	O(CC[6a]HH)(PNOO)	C(C[6a]C[6a]2)(OP)(H)2	P(NC)(OC)2(O)	120.1940	0.000	1	120.1940	0.000	1	120.1940	0.000	1	120.5684	4.843	14	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	3:2:1:1:	2:2:2:1:	C-4:P-4:	C[6a]-3:O-2:H-1:H-1:	O-2:O-2:O-2:O-1:	O(CC[6a]HH)(PO3)	C(C[6a]C[6a]2)(OP)(H)2	P(OC)2(OH)(O)	O(CC[6a]HH)(PO3)	C(C[6a]C[6a]2)(OP)(H)2	P(OC)2(OH)(O)	115.0250	0.000	1	115.0250	0.000	1	120.5842	5.707	12	120.5684	4.843	14	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	3:2:1:1:	2:2:2:1:	C-4:P-4:	C[6a]-3:O-2:H-1:H-1:	O-2:O-2:O-2:O-1:	O(CC[6a]HH)(PO3)	C(C[6a]C[6a]2)(OP)(H)2	P(OC[6])(OC)2(O)	O(CC[6a]HH)(PO3)	C(C[6a]C[6a]2)(OP)(H)2	P(OC[6])(OC)2(O)	120.1682	1.720	6	120.1682	2.959	6	120.5842	5.707	12	120.5684	4.843	14	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	3:2:1:1:	2:2:2:1:	C-4:P-4:	C[6a]-3:O-2:H-1:H-1:	O-2:O-2:O-2:O-1:	O(CC[6a]HH)(PO3)	C(C[6a]C[6a]2)(OP)(H)2	P(OC[6a])(OC)2(O)	O(CC[6a]HH)(PO3)	C(C[6a]C[6a]2)(OP)(H)2	P(OC[6a])(OC)2(O)	122.3715	0.902	4	122.3715	0.813	4	120.5842	5.707	12	120.5684	4.843	14	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	3:2:1:1:	2:2:2:1:	C-4:P-4:	C[6a]-3:O-2:H-1:H-1:	O-2:O-2:O-2:O-1:	O(CC[6a]HH)(PO3)	C(C[6a]C[6a]2)(OP)(H)2	P(OC[6a])2(OC)(O)	O(CC[6a]HH)(PO3)	C(C[6a]C[6a]2)(OP)(H)2	P(OC[6a])2(OC)(O)	121.4900	0.000	1	121.4900	0.000	1	120.5842	5.707	12	120.5684	4.843	14	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	3:2:1:1:	3:2:2:1:	P-4:C-4:	C[4]-3:O-2:H-1:H-1:	C[6a]-3:O-2:O-2:O-1:	O(PC[6a]OO)(CC[4]HH)	C(C[4]C[4]2)(OP)(H)2	P(C[6a]C[6a]2)(OC)2(O)	O(PC[6a]OO)(CC[4]HH)	C(C[4]C[4]2)(OP)(H)2	P(C[6a]C[6a]2)(OC)2(O)	117.0310	0.000	1	117.0310	0.000	1	117.0310	0.000	1	117.0310	0.000	1	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	3:2:1:1:	4:2:1:1:	C-4:P-4:	C[6]-3:O-2:H-1:H-1:	C-4:O-2:O-1:O-1:	O(CC[6]HH)(PCOO)	C(C[6]C[6]N[6])(OP)(H)2	P(CCCH)(OC)(O)2	O(CC[6]HH)(PCOO)	C(C[6]C[6]N[6])(OP)(H)2	P(CCCH)(OC)(O)2	121.7580	0.000	1	121.7580	0.000	1	121.7580	0.000	1	121.7580	0.000	1	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	3:2:1:1:	4:2:2:1:	C-4:P-4:	C[6a]-3:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CC[6a]HH)(PCOO)	C(C[6a]C[6a]2)(OP)(H)2	P(CCHN)(OC)2(O)	O(CC[6a]HH)(PCOO)	C(C[6a]C[6a]2)(OP)(H)2	P(CCHN)(OC)2(O)	121.0315	0.633	2	121.0315	0.401	2	120.3515	1.178	10	120.3515	1.178	10	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	3:2:1:1:	4:2:2:1:	C-4:P-4:	C[6a]-3:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CC[6a]HH)(PCOO)	C(C[6a]C[6a]2)(OP)(H)2	P(CC[6a]HO)(OC)2(O)	O(CC[6a]HH)(PCOO)	C(C[6a]C[6a]2)(OP)(H)2	P(CC[6a]HO)(OC)2(O)	120.1815	1.137	8	120.1815	1.293	8	120.3515	1.178	10	120.3515	1.178	10	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	3:3:2:1:	2:2:2:1:	C-4:P-4:	C[6a]-3:C[6a]-3:O-2:H-1:	O-2:O-2:O-2:O-1:	O(CC[6a]2H)(PO3)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP)(H)	P(OC)3(O)	O(CC[6a]2H)(PO3)	C(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OP)(H)	P(OC)3(O)	119.9110	0.000	1	119.9110	0.000	1	119.9110	0.000	1	119.9110	0.000	1	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	3:3:4:2:	2:2:2:1:	C-4:P-4:	C[6a]-3:C[6a]-3:C-4:O-2:	O-2:O-2:O-2:O-1:	O(CC[6a]2C)(PO3)	C(C[6a]C[6a]2)2(CC[6a]CH)(OP)	P(OC[6a])2(OC)(O)	O(CC[6a]2C)(PO3)	C(C[6a]C[6a]2)2(CC[6a]CH)(OP)	P(OC[6a])2(OC)(O)	125.7560	0.000	1	125.7560	0.000	1	125.7560	0.000	1	125.7560	0.000	1	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	3:4:2:1:	2:2:2:1:	C-4:P-4:	C[6a]-3:C-4:O-2:H-1:	O-2:O-2:O-2:O-1:	O(CC[6a]CH)(PO3)	C(C[6a]C[6a]2)(CCCO)(OP)(H)	P(OC)3(O)	O(CC[6a]CH)(PO3)	C(C[6a]C[6a]2)(CCCO)(OP)(H)	P(OC)3(O)	120.9200	0.000	1	120.9200	0.000	1	121.4393	11.902	6	121.4393	11.902	6	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	3:4:2:1:	2:2:2:1:	C-4:P-4:	C[6a]-3:C-4:O-2:H-1:	O-2:O-2:O-2:O-1:	O(CC[6a]CH)(PO3)	C(C[6a]C[6a]2)(CCHH)(OP)(H)	P(OC[6])(OC)2(O)	O(CC[6a]CH)(PO3)	C(C[6a]C[6a]2)(CCHH)(OP)(H)	P(OC[6])(OC)2(O)	120.5580	3.641	4	120.5580	13.259	4	121.4393	11.902	6	121.4393	11.902	6	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	3:4:2:1:	2:2:2:1:	C-4:P-4:	C[6a]-3:C-4:O-2:H-1:	O-2:O-2:O-2:O-1:	O(CC[6a]CH)(PO3)	C(C[6a]C[6a]2)(CCHH)(OP)(H)	P(OC[6a])2(OC)(O)	O(CC[6a]CH)(PO3)	C(C[6a]C[6a]2)(CCHH)(OP)(H)	P(OC[6a])2(OC)(O)	125.4840	0.000	1	125.4840	0.000	1	121.4393	11.902	6	121.4393	11.902	6	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	3:4:2:1:	3:2:1:1:	C-4:P-4:	C[6a]-3:C-4:O-2:H-1:	C[6a]-3:O-2:S-1:S-1:	O(CC[6a]CH)(PC[6a]SS)	C(C[6a]C[6a]2)(CH3)(OP)(H)	P(C[6a]C[6a]2)(OC)(S)2	O(CC[6a]CH)(PC[6a]SS)	C(C[6a]C[6a]2)(CH3)(OP)(H)	P(C[6a]C[6a]2)(OC)(S)2	118.9070	0.000	1	118.9070	0.000	1	118.9070	0.000	1	118.9070	0.000	1	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	3:4:2:1:	3:2:2:1:	P-4:C-4:	C[4]-3:C-4:O-2:H-1:	C[6a]-3:O-2:O-2:O-1:	O(PC[6a]OO)(CC[4]CH)	C(C[4]C[4]2)(CH3)(OP)(H)	P(C[6a]C[6a]2)(OC)2(O)	O(PC[6a]OO)(CC[4]CH)	C(C[4]C[4]2)(CH3)(OP)(H)	P(C[6a]C[6a]2)(OC)2(O)	121.4480	0.000	1	121.4480	0.000	1	121.4480	0.000	1	121.4480	0.000	1	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	3:4:2:1:	4:4:2:1:	C-4:P-4:	C[6a]-3:P-4:O-2:H-1:	C-4:C-4:O-2:S-1:	O(CC[6a]HP)(PCCS)	C(C[6a]C[6a]2)(PCCS)(OP)(H)	P(CH3)2(OC)(S)	O(CC[6a]HP)(PCCS)	C(C[6a]C[6a]2)(PCCS)(OP)(H)	P(CH3)2(OC)(S)	119.0140	0.000	1	119.0140	0.000	1	119.0140	0.000	1	119.0140	0.000	1	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	3:4:3:2:	2:2:2:1:	C-4:P-4:	C[6a]-3:C-4:C-3:O-2:	O-2:O-2:O-2:O-1:	O(CC[6a]CC)(PO3)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OP)	P(OC)3(O)	O(CC[6a]CC)(PO3)	C(C[6a]C[6a]2)(CC[6a]CH)(COO)(OP)	P(OC)3(O)	127.4140	0.000	1	127.4140	0.000	1	131.2105	28.827	2	131.2105	28.827	2	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	3:4:3:2:	2:2:2:1:	C-4:P-4:	C[6a]-3:C-4:C-3:O-2:	O-2:O-2:O-2:O-1:	O(CC[6a]CC)(PO3)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(OP)	P(OC)3(O)	O(CC[6a]CC)(PO3)	C(C[6a]C[6a]2)(CC[6a]HN)(COO)(OP)	P(OC)3(O)	135.0070	0.000	1	135.0070	0.000	1	131.2105	28.827	2	131.2105	28.827	2	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:1:1:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	O-2:H-1:O-1:O-1:	O(CCHH)(PHOO)	C(CC3)(OP)(H)2	P(OC)(H)(O)2	O(CCHH)(PHOO)	C(CC3)(OP)(H)2	P(OC)(H)(O)2	120.0820	0.000	1	120.0820	0.000	1	120.0820	0.000	1	119.0851	1.995	17	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:1:1:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	O-2:O-1:O-1:O-1:	O(CCHH)(PO3)	C(CCHN)(OP)(H)2	P(OC)(O)3	O(CCHH)(PO3)	C(CCHN)(OP)(H)2	P(OC)(O)3	118.6086	0.861	10	118.6086	0.741	10	118.7511	0.993	13	119.0851	1.995	17	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:1:1:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	O-2:O-1:O-1:O-1:	O(CCHH)(PO3)	C(CCHO)(OP)(H)2	P(OC)(O)3	O(CCHH)(PO3)	C(CCHO)(OP)(H)2	P(OC)(O)3	118.6395	1.518	2	118.6395	2.305	2	118.7511	0.993	13	119.0851	1.995	17	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:1:1:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	O-2:O-1:O-1:O-1:	O(CCHH)(PO3)	C(CCOO)(OP)(H)2	P(OC)(O)3	O(CCHH)(PO3)	C(CCOO)(OP)(H)2	P(OC)(O)3	120.3990	0.000	1	120.3990	0.000	1	118.7511	0.993	13	119.0851	1.995	17	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:1:1:1:	C-4:P-4:	C[5]-4:O-2:H-1:H-1:	O-2:O-1:O-1:O-1:	O(CC[5]HH)(PO3)	C(C[5]C[5]O[5]H)(OP)(H)2	P(OC)(O)3	O(CC[5]HH)(PO3)	C(C[5]C[5]O[5]H)(OP)(H)2	P(OC)(O)3	120.2000	2.629	3	120.2000	6.913	3	120.2000	6.913	3	119.0851	1.995	17	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:1:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	O-2:O-2:O-1:O-1:	O(CCHH)(PO3)	C(CCHN)(OP)(H)2	P(OC)(OH)(O)2	O(CCHH)(PO3)	C(CCHN)(OP)(H)2	P(OC)(OH)(O)2	118.4683	0.575	9	118.4683	0.330	9	119.0076	2.397	19	118.6097	3.101	29	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:1:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	O-2:O-2:O-1:O-1:	O(CCHH)(PO3)	C(CC[5]HH)(OP)(H)2	P(OC)(OP)(O)2	O(CCHH)(PO3)	C(CC[5]HH)(OP)(H)2	P(OC)(OP)(O)2	120.2530	3.159	4	120.2530	9.978	4	119.0076	2.397	19	118.6097	3.101	29	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:1:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	O-2:O-2:O-1:O-1:	O(CCHH)(PO3)	C(CC[6]HH)(OP)(H)2	P(OC)2(O)2	O(CCHH)(PO3)	C(CC[6]HH)(OP)(H)2	P(OC)2(O)2	119.4535	0.541	2	119.4535	0.293	2	119.0076	2.397	19	118.6097	3.101	29	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:1:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	O-2:O-2:O-1:O-1:	O(CCHH)(PO3)	C(CH3)(OP)(H)2	P(OC)(OH)(O)2	O(CCHH)(PO3)	C(CH3)(OP)(H)2	P(OC)(OH)(O)2	118.3090	0.000	1	118.3090	0.000	1	119.0076	2.397	19	118.6097	3.101	29	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:1:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	O-2:O-2:O-1:O-1:	O(CCHH)(PO3)	C(CHHN)(OP)(H)2	P(OC)(OH)(O)2	O(CCHH)(PO3)	C(CHHN)(OP)(H)2	P(OC)(OH)(O)2	118.3090	0.000	1	118.3090	0.000	1	119.0076	2.397	19	118.6097	3.101	29	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:1:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	O-2:O-2:O-1:O-1:	O(CCHH)(PO3)	C(CHHN)(OP)(H)2	P(OC)2(O)2	O(CCHH)(PO3)	C(CHHN)(OP)(H)2	P(OC)2(O)2	119.1965	0.090	2	119.1965	0.008	2	119.0076	2.397	19	118.6097	3.101	29	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:1:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	O-2:O-2:S-1:S-1:	O(CCHH)(POSS)	C(CH3)(OP)(H)2	P(OC)2(S)2	O(CCHH)(POSS)	C(CH3)(OP)(H)2	P(OC)2(S)2	120.3505	0.373	2	120.3505	0.139	2	120.3505	0.139	2	118.6097	3.101	29	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:1:1:	C-4:P-4:	C[5]-4:O-2:H-1:H-1:	O-2:O-2:O-1:O-1:	O(CC[5]HH)(PO3)	C(C[5]C[5]O[5]H)(OP)(H)2	P(OC)(OH)(O)2	O(CC[5]HH)(PO3)	C(C[5]C[5]O[5]H)(OP)(H)2	P(OC)(OH)(O)2	119.5380	1.915	2	119.5380	3.667	2	117.2295	2.748	8	118.6097	3.101	29	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:1:1:	C-4:P-4:	C[5]-4:O-2:H-1:H-1:	O-2:O-2:O-1:O-1:	O(CC[5]HH)(PO3)	C(C[5]C[5]O[5]H)(OP)(H)2	P(OC)(OP)(O)2	O(CC[5]HH)(PO3)	C(C[5]C[5]O[5]H)(OP)(H)2	P(OC)(OP)(O)2	116.3624	0.518	5	116.3624	0.268	5	117.2295	2.748	8	118.6097	3.101	29	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:1:1:	C-4:P-4:	C[5]-4:O-2:H-1:H-1:	O-2:O-2:O-1:O-1:	O(CC[5]HH)(PO3)	C(C[5]C[5]O[5]H)(OP)(H)2	P(OC[5])(OC)(O)2	O(CC[5]HH)(PO3)	C(C[5]C[5]O[5]H)(OP)(H)2	P(OC[5])(OC)(O)2	116.9480	0.000	1	116.9480	0.000	1	117.2295	2.748	8	118.6097	3.101	29	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-2:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6a])(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6a])(OC)2(O)	121.2304	2.250	8	121.2304	5.062	8	121.2304	5.062	8	121.2466	4.588	74	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	N-2:N-2:O-2:F-1:	O(CCHH)(PFNN)	C(CCHH)(OP)(H)2	P(NP)2(OC)(F)	O(CCHH)(PFNN)	C(CCHH)(OP)(H)2	P(NP)2(OC)(F)	121.7150	0.000	1	121.7150	0.000	1	121.7150	0.000	1	121.2466	4.588	74	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	N-2:O-2:O-2:O-1:	O(CCHH)(PNOO)	C(CH3)(OP)(H)2	P(NP)(OC)2(O)	O(CCHH)(PNOO)	C(CH3)(OP)(H)2	P(NP)(OC)2(O)	121.0565	1.191	2	121.0565	1.420	2	121.0565	1.420	2	121.2466	4.588	74	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	N-2:O-2:O-2:S-1:	O(CCHH)(PNOS)	C(CH3)(OP)(H)2	P(NC[5])(OC)2(S)	O(CCHH)(PNOS)	C(CH3)(OP)(H)2	P(NC[5])(OC)2(S)	126.6675	2.003	2	126.6675	4.013	2	126.6675	4.013	2	121.2466	4.588	74	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	O-2:O-2:O-2:O-1:	O(CCHH)(PO3)	C(CCHH)(OP)(H)2	P(OGa[6])(OC)2(O)	O(CCHH)(PO3)	C(CCHH)(OP)(H)2	P(OGa[6])(OC)2(O)	120.4908	1.775	4	120.4908	3.152	4	121.1691	2.946	28	121.2466	4.588	74	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	O-2:O-2:O-2:O-1:	O(CCHH)(PO3)	C(CH3)(OP)(H)2	P(OC)3(O)	O(CCHH)(PO3)	C(CH3)(OP)(H)2	P(OC)3(O)	121.4313	1.681	18	121.4313	2.827	18	121.1691	2.946	28	121.2466	4.588	74	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	O-2:O-2:O-2:O-1:	O(CCHH)(PO3)	C(CH3)(OP)(H)2	P(OC[5a])(OC)2(O)	O(CCHH)(PO3)	C(CH3)(OP)(H)2	P(OC[5a])(OC)2(O)	119.0400	1.269	2	119.0400	1.609	2	121.1691	2.946	28	121.2466	4.588	74	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	O-2:O-2:O-2:O-1:	O(CCHH)(PO3)	C(CH3)(OP)(H)2	P(OC[6])(OC)2(O)	O(CCHH)(PO3)	C(CH3)(OP)(H)2	P(OC[6])(OC)2(O)	121.4710	1.942	2	121.4710	3.770	2	121.1691	2.946	28	121.2466	4.588	74	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	O-2:O-2:O-2:O-1:	O(CCHH)(PO3)	C(CH3)(OP)(H)2	P(OC[6a])(OC)2(O)	O(CCHH)(PO3)	C(CH3)(OP)(H)2	P(OC[6a])(OC)2(O)	121.9935	1.718	2	121.9935	2.950	2	121.1691	2.946	28	121.2466	4.588	74	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	O-2:O-2:O-2:S-1:	O(CCHH)(POOS)	C(CH3)(OP)(H)2	P(OC)2(ON)(S)	O(CCHH)(POOS)	C(CH3)(OP)(H)2	P(OC)2(ON)(S)	123.7505	1.364	2	123.7505	1.861	2	123.1238	3.519	5	121.2466	4.588	74	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	O-2:O-2:O-2:S-1:	O(CCHH)(POOS)	C(CH3)(OP)(H)2	P(OC[6a])(OC)(ON)(S)	O(CCHH)(POOS)	C(CH3)(OP)(H)2	P(OC[6a])(OC)(ON)(S)	122.0060	0.000	1	122.0060	0.000	1	123.1238	3.519	5	121.2466	4.588	74	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	O-2:O-2:O-2:S-1:	O(CCHH)(POOS)	C(CH3)(OP)(H)2	P(OC[6a])(OC)2(S)	O(CCHH)(POOS)	C(CH3)(OP)(H)2	P(OC[6a])(OC)2(S)	123.0560	3.189	2	123.0560	10.170	2	123.1238	3.519	5	121.2466	4.588	74	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	S-2:O-2:O-2:O-1:	O(CCHH)(POOS)	C(CC3)(OP)(H)2	P(SC[6])(OC)2(O)	O(CCHH)(POOS)	C(CC3)(OP)(H)2	P(SC[6])(OC)2(O)	120.6510	2.845	2	120.6510	8.096	2	120.7732	4.617	6	121.2466	4.588	74	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	S-2:O-2:O-2:O-1:	O(CCHH)(POOS)	C(CH3)(OP)(H)2	P(SC[6])(OC)2(O)	O(CCHH)(POOS)	C(CH3)(OP)(H)2	P(SC[6])(OC)2(O)	122.0070	2.175	2	122.0070	4.731	2	120.7732	4.617	6	121.2466	4.588	74	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	S-2:O-2:O-2:O-1:	O(CCHH)(POOS)	C(CH3)(OP)(H)2	P(SPt)(OC)2(O)	O(CCHH)(POOS)	C(CH3)(OP)(H)2	P(SPt)(OC)2(O)	119.6615	2.170	2	119.6615	4.709	2	120.7732	4.617	6	121.2466	4.588	74	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	S-2:O-2:O-2:S-1:	O(CCHH)(POSS)	C(CH3)(OP)(H)2	P(SNi)(OC)2(S)	O(CCHH)(POSS)	C(CH3)(OP)(H)2	P(SNi)(OC)2(S)	119.2795	2.488	2	119.2795	6.192	2	119.2795	6.192	2	121.2466	4.588	74	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:2:1:	C-4:P-4:	C[5]-4:O-2:H-1:H-1:	N-2:O-2:O-2:O-1:	O(CC[5]HH)(PNOO)	C(C[5]C[5]O[5]H)(OP)(H)2	P(NC)(OC)2(O)	O(CC[5]HH)(PNOO)	C(C[5]C[5]O[5]H)(OP)(H)2	P(NC)(OC)2(O)	116.7230	0.000	1	116.7230	0.000	1	116.7230	0.000	1	121.2466	4.588	74	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:2:1:	C-4:P-4:	C[5]-4:O-2:H-1:H-1:	O-2:O-2:O-2:O-1:	O(CC[5]HH)(PO3)	C(C[5]C[5,5]O[5]H)(OP)(H)2	P(OC[6a])(OZn)(OC)(O)	O(CC[5]HH)(PO3)	C(C[5]C[5,5]O[5]H)(OP)(H)2	P(OC[6a])(OZn)(OC)(O)	123.2100	2.643	2	123.2100	6.986	2	123.2100	6.986	2	121.2466	4.588	74	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:2:1:	C-4:P-4:	C[6]-4:O-2:H-1:H-1:	Se-2:O-2:O-2:S-1:	O(CC[6]HH)(PSeOS)	C(C[6]C[5,6]O[6]H)(OP)(H)2	P(SeSe)(OC)2(S)	O(CC[6]HH)(PSeOS)	C(C[6]C[5,6]O[6]H)(OP)(H)2	P(SeSe)(OC)2(S)	119.9132	1.077	9	119.9132	1.160	9	119.9132	1.160	9	121.2466	4.588	74	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	N-2:N-2:O-2:Cl-1:	O(PClNN)(CCHH)	C(CHHO)(OP)(H)2	P(NP)2(OC)(Cl)	O(PClNN)(CCHH)	C(CHHO)(OP)(H)2	P(NP)2(OC)(Cl)	120.6425	1.187	4	120.6425	1.408	4	120.6425	1.408	4	121.2466	4.588	74	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	Se-2:O-2:O-2:Se-1:	O(PSe2O)(CCHH)	C(CH3)(OP)(H)2	P(SeSe)(OC)2(Se)	O(PSe2O)(CCHH)	C(CH3)(OP)(H)2	P(SeSe)(OC)2(Se)	122.1893	2.277	4	122.1893	5.185	4	122.1893	5.185	4	121.2466	4.588	74	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:2:2:	C-4:P-4:	C-4:O-2:H-1:H-1:	N-2:N-2:O-2:O-2:	O(CCHH)(PNNO)	C(CCFF)(OP)(H)2	P(NP)2(OC)2	O(CCHH)(PNNO)	C(CCFF)(OP)(H)2	P(NP)2(OC)2	121.4805	1.235	2	121.4805	1.526	2	120.4321	1.038	10	120.8967	7.321	48	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:2:2:	C-4:P-4:	C-4:O-2:H-1:H-1:	N-2:N-2:O-2:O-2:	O(CCHH)(PNNO)	C(CHHO)(OP)(H)2	P(NP)2(OC)2	O(CCHH)(PNNO)	C(CHHO)(OP)(H)2	P(NP)2(OC)2	120.1700	0.851	8	120.1700	0.724	8	120.4321	1.038	10	120.8967	7.321	48	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:2:2:	C-4:P-4:	C-4:O-2:H-1:H-1:	N-2:O-2:O-2:O-2:	O(CCHH)(PNOO)	C(CH3)(OP)(H)2	P(NC[6])(OB)(OC)2	O(CCHH)(PNOO)	C(CH3)(OP)(H)2	P(NC[6])(OB)(OC)2	122.7585	0.224	2	122.7585	0.050	2	121.6788	3.723	5	120.8967	7.321	48	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:2:2:	C-4:P-4:	C-4:O-2:H-1:H-1:	N-2:O-2:O-2:O-2:	O(CCHH)(PNOO)	C(CH3)(OP)(H)2	P(NC[6a])(OC)3	O(CCHH)(PNOO)	C(CH3)(OP)(H)2	P(NC[6a])(OC)3	120.9590	2.341	3	120.9590	5.478	3	121.6788	3.723	5	120.8967	7.321	48	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:2:2:	C-4:P-4:	C-4:O-2:H-1:H-1:	N-2:S-2:O-2:O-2:	O(CCHH)(PNOS)	C(CH3)(OP)(H)2	P(NP[3x6])(SPd)(OC)2	O(CCHH)(PNOS)	C(CH3)(OP)(H)2	P(NP[3x6])(SPd)(OC)2	124.4250	2.396	4	124.4250	5.738	4	124.4250	5.738	4	120.8967	7.321	48	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:2:2:	C-4:P-4:	C-4:O-2:H-1:H-1:	O-2:N-2:O-2:O-2:	O(CCHH)(PNOO)	C(CH3)(OP)(H)2	P(ORu)(NP)(OC)2	O(CCHH)(PNOO)	C(CH3)(OP)(H)2	P(ORu)(NP)(OC)2	121.7435	1.289	2	121.7435	1.662	2	121.7435	1.662	2	120.8967	7.321	48	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:2:2:	C-4:P-4:	C-4:O-2:H-1:H-1:	O-2:O-2:O-2:O-2:	O(CCHH)(PO3)	C(CCHH)(OP)(H)2	P(OAl)2(OC)2	O(CCHH)(PO3)	C(CCHH)(OP)(H)2	P(OAl)2(OC)2	118.5505	0.112	2	118.5505	0.013	2	118.9023	0.378	3	120.8967	7.321	48	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:2:2:	C-4:P-4:	C-4:O-2:H-1:H-1:	O-2:O-2:O-2:O-2:	O(CCHH)(PO3)	C(CH3)(OP)(H)2	P(OC[6a])(ONi)2(OC)	O(CCHH)(PO3)	C(CH3)(OP)(H)2	P(OC[6a])(ONi)2(OC)	119.6060	0.000	1	119.6060	0.000	1	118.9023	0.378	3	120.8967	7.321	48	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:2:2:	C-4:P-4:	C-4:O-2:H-1:H-1:	S-2:N-2:O-2:O-2:	O(CCHH)(PNOS)	C(CH3)(OP)(H)2	P(SRu)(NP)(OC)2	O(CCHH)(PNOS)	C(CH3)(OP)(H)2	P(SRu)(NP)(OC)2	123.9137	5.126	4	123.9137	26.273	4	123.9137	26.273	4	120.8967	7.321	48	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:2:2:	C-4:P-4:	C-4:O-2:H-1:H-1:	S-2:S-2:O-2:O-2:	O(CCHH)(POSS)	C(CCCH)(OP)(H)2	P(SNi)2(OC)2	O(CCHH)(POSS)	C(CCCH)(OP)(H)2	P(SNi)2(OC)2	119.9243	2.386	4	119.9243	5.695	4	119.8390	4.959	20	120.8967	7.321	48	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:2:2:	C-4:P-4:	C-4:O-2:H-1:H-1:	S-2:S-2:O-2:O-2:	O(CCHH)(POSS)	C(CCHH)(OP)(H)2	P(SNi)2(OC)2	O(CCHH)(POSS)	C(CCHH)(OP)(H)2	P(SNi)2(OC)2	120.8300	1.796	2	120.8300	3.226	2	119.8390	4.959	20	120.8967	7.321	48	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:2:2:	C-4:P-4:	C-4:O-2:H-1:H-1:	S-2:S-2:O-2:O-2:	O(CCHH)(POSS)	C(CC[6a]HH)(OP)(H)2	P(SNi)2(OC)2	O(CCHH)(POSS)	C(CC[6a]HH)(OP)(H)2	P(SNi)2(OC)2	118.9188	0.536	4	118.9188	0.287	4	119.8390	4.959	20	120.8967	7.321	48	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:2:2:2:	C-4:P-4:	C-4:O-2:H-1:H-1:	S-2:S-2:O-2:O-2:	O(CCHH)(POSS)	C(CH3)(OP)(H)2	P(SNi)2(OC)2	O(CCHH)(POSS)	C(CH3)(OP)(H)2	P(SNi)2(OC)2	119.9748	2.738	10	119.9748	7.498	10	119.8390	4.959	20	120.8967	7.321	48	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	2:3:2:1:	C-4:P-4:	C[5]-4:O-2:H-1:H-1:	O-2:N-3:O-2:O-1:	O(CC[5]HH)(PNOO)	C(C[5]C[5]O[5]H)(OP)(H)2	P(OC[6a])(NCH)(OC)(O)	O(CC[5]HH)(PNOO)	C(C[5]C[5]O[5]H)(OP)(H)2	P(OC[6a])(NCH)(OC)(O)	121.9680	5.319	2	121.9680	28.290	2	121.9680	28.290	2	121.9680	28.290	2	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:1:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-3:O-2:O-1:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6a]H)(OC)(O)2	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6a]H)(OC)(O)2	124.7050	0.000	1	124.7050	0.000	1	124.7050	0.000	1	120.8942	2.816	34	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:1:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	N-3:O-2:O-1:O-1:	O(CCHH)(PNOO)	C(CH3)(OP)(H)2	P(NC[6a]H)(OC)(O)2	O(CCHH)(PNOO)	C(CH3)(OP)(H)2	P(NC[6a]H)(OC)(O)2	119.3820	0.503	4	119.3820	0.253	4	119.3820	0.253	4	120.8942	2.816	34	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:1:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[5]-3:O-2:O-1:O-1:	O(PC[5]OO)(CCHH)	C(CClHH)(OP)(H)2	P(C[5]N[5]2)(OC)(O)2	O(PC[5]OO)(CCHH)	C(CClHH)(OP)(H)2	P(C[5]N[5]2)(OC)(O)2	120.3250	0.000	1	120.3250	0.000	1	120.3250	0.000	1	120.8942	2.816	34	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:1:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-1:S-1:	O(PC[6a]OS)(CCHH)	C(CH3)(OP)(H)2	P(C[6a]C[6a]2)(OC)(O)(S)	O(PC[6a]OS)(CCHH)	C(CH3)(OP)(H)2	P(C[6a]C[6a]2)(OC)(O)(S)	120.9944	1.586	28	120.9944	2.515	28	120.9944	2.515	28	120.8942	2.816	34	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-3:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CCC)(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CCC)(OC)2(O)	121.5727	3.940	4	121.5727	15.525	4	120.8673	4.026	28	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-3:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CCH)(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CCH)(OC)2(O)	122.5078	1.443	4	122.5078	2.082	4	120.8673	4.026	28	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-3:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CCN)(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CCN)(OC)2(O)	120.2490	1.688	4	120.2490	2.849	4	120.8673	4.026	28	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-3:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[5a]2)(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[5a]2)(OC)2(O)	119.5469	0.910	10	119.5469	0.829	10	120.8673	4.026	28	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-3:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[5a]H)(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[5a]H)(OC)2(O)	122.3280	0.228	2	122.3280	0.052	2	120.8673	4.026	28	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-3:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6]N)(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6]N)(OC)2(O)	121.3715	0.647	2	121.3715	0.419	2	120.8673	4.026	28	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-3:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CHHN)(OP)(H)2	P(CHH)(OC)2(O)	O(CCHH)(PCOO)	C(CHHN)(OP)(H)2	P(CHH)(OC)2(O)	122.0490	0.332	2	122.0490	0.110	2	120.8673	4.026	28	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	N-3:O-2:O-2:O-1:	O(CCHH)(PNOO)	C(CH3)(OP)(H)2	P(NCH)(OC)2(O)	O(CCHH)(PNOO)	C(CH3)(OP)(H)2	P(NCH)(OC)2(O)	120.5861	1.369	8	120.5861	1.875	8	120.1271	1.697	14	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	N-3:O-2:O-2:O-1:	O(CCHH)(PNOO)	C(CH3)(OP)(H)2	P(NC[6a]C)(OC)2(O)	O(CCHH)(PNOO)	C(CH3)(OP)(H)2	P(NC[6a]C)(OC)2(O)	119.8670	0.000	3	119.8670	0.000	3	120.1271	1.697	14	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	N-3:O-2:O-2:O-1:	O(CCHH)(PNOO)	C(CH3)(OP)(H)2	P(NC[6a]H)(OC)2(O)	O(CCHH)(PNOO)	C(CH3)(OP)(H)2	P(NC[6a]H)(OC)2(O)	119.1633	1.461	3	119.1633	2.134	3	120.1271	1.697	14	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	N-3:O-2:O-2:S-1:	O(CCHH)(PNOS)	C(CH3)(OP)(H)2	P(NCH)(OC)2(S)	O(CCHH)(PNOS)	C(CH3)(OP)(H)2	P(NCH)(OC)2(S)	122.6668	0.997	4	122.6668	0.994	4	121.9181	2.239	8	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	N-3:O-2:O-2:S-1:	O(CCHH)(PNOS)	C(CH3)(OP)(H)2	P(NC[6a]H)(OC)2(S)	O(CCHH)(PNOS)	C(CH3)(OP)(H)2	P(NC[6a]H)(OC)2(S)	121.1695	1.654	4	121.1695	2.737	4	121.9181	2.239	8	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	P-3:O-2:O-2:O-1:	O(CCHH)(POOP)	C(CH3)(OP)(H)2	P(PC[6a]H)(OC)2(O)	O(CCHH)(POOP)	C(CH3)(OP)(H)2	P(PC[6a]H)(OC)2(O)	118.9145	0.077	2	118.9145	0.006	2	120.8880	8.850	6	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	P-3:O-2:O-2:O-1:	O(CCHH)(POOP)	C(CH3)(OP)(H)2	P(PC[6a]W)(OC)2(O)	O(CCHH)(POOP)	C(CH3)(OP)(H)2	P(PC[6a]W)(OC)2(O)	121.8748	3.294	4	121.8748	10.853	4	120.8880	8.850	6	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[5]-3:O-2:O-2:O-1:	O(PC[5]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5]C[5]2)(OC)2(O)	O(PC[5]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5]C[5]2)(OC)2(O)	125.6068	1.672	4	125.6068	2.795	4	123.8405	9.775	6	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[5]-3:O-2:O-2:O-1:	O(PC[5]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5]C[5]N[5])(OC)2(O)	O(PC[5]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5]C[5]N[5])(OC)2(O)	120.3080	1.748	2	120.3080	3.055	2	123.8405	9.775	6	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[5a]-3:O-2:O-2:O-1:	O(PC[5a]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5a]C[5a,6a]C[5a])(OC)2(O)	O(PC[5a]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5a]C[5a,6a]C[5a])(OC)2(O)	120.6465	2.222	2	120.6465	4.939	2	120.5691	2.746	10	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[5a]-3:O-2:O-2:O-1:	O(PC[5a]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5a]C[5a]N[5a])(OC)2(O)	O(PC[5a]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5a]C[5a]N[5a])(OC)2(O)	120.8652	1.758	6	120.8652	3.091	6	120.5691	2.746	10	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[5a]-3:O-2:O-2:O-1:	O(PC[5a]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5a]C[5a]S[5a])(OC)2(O)	O(PC[5a]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5a]C[5a]S[5a])(OC)2(O)	119.6035	1.384	2	119.6035	1.915	2	120.5691	2.746	10	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6]-3:O-2:O-2:O-1:	O(PC[6]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[6]C[5a,6]2)(OGa[4x6])(OC)(O)	O(PC[6]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[6]C[5a,6]2)(OGa[4x6])(OC)(O)	117.8450	0.000	1	117.8450	0.000	1	120.0270	4.195	3	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6]-3:O-2:O-2:O-1:	O(PC[6]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[6]C[6]2)(OC)2(O)	O(PC[6]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[6]C[6]2)(OC)2(O)	121.1180	1.117	2	121.1180	1.248	2	120.0270	4.195	3	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-2:O-1:	O(PC[6a]OO)(CCHH)	C(CCHN)(OP)(H)2	P(C[6a]C[6a]2)(OC)2(O)	O(PC[6a]OO)(CCHH)	C(CCHN)(OP)(H)2	P(C[6a]C[6a]2)(OC)2(O)	121.4048	3.205	8	121.4048	10.269	8	120.5639	4.844	41	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-2:O-1:	O(PC[6a]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[6a]C[5a,6a]N[6a])(OC)2(O)	O(PC[6a]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[6a]C[5a,6a]N[6a])(OC)2(O)	121.2285	2.544	6	121.2285	6.474	6	120.5639	4.844	41	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-2:O-1:	O(PC[6a]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[6a]C[6a,6a]C[6a])(OC)2(O)	O(PC[6a]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[6a]C[6a,6a]C[6a])(OC)2(O)	119.0905	1.330	2	119.0905	1.769	2	120.5639	4.844	41	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-2:O-1:	O(PC[6a]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[6a]C[6a]2)(OC)2(O)	O(PC[6a]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[6a]C[6a]2)(OC)2(O)	120.2532	1.740	25	120.2532	3.028	25	120.5639	4.844	41	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:S-2:S-1:	O(PC[6a]SS)(CCHH)	C(CC3)(OP)(H)2	P(C[6a]C[6a]2)(OC)(SP)(S)	O(PC[6a]SS)(CCHH)	C(CC3)(OP)(H)2	P(C[6a]C[6a]2)(OC)(SP)(S)	121.6155	2.661	6	121.6155	7.079	6	122.2962	3.837	32	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:S-2:S-1:	O(PC[6a]SS)(CCHH)	C(CC3)(OP)(H)2	P(C[6a]C[6a]2)(OC)(SS)(S)	O(PC[6a]SS)(CCHH)	C(CC3)(OP)(H)2	P(C[6a]C[6a]2)(OC)(SS)(S)	119.2085	0.385	2	119.2085	0.149	2	122.2962	3.837	32	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:S-2:S-1:	O(PC[6a]SS)(CCHH)	C(CCCH)(OP)(H)2	P(C[6a]C[6a]2)(OC)(SS)(S)	O(PC[6a]SS)(CCHH)	C(CCCH)(OP)(H)2	P(C[6a]C[6a]2)(OC)(SS)(S)	121.5095	0.152	2	121.5095	0.023	2	122.2962	3.837	32	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:S-2:S-1:	O(PC[6a]SS)(CCHH)	C(CCHH)(OP)(H)2	P(C[6a]C[6a]2)(OC)(SP)(S)	O(PC[6a]SS)(CCHH)	C(CCHH)(OP)(H)2	P(C[6a]C[6a]2)(OC)(SP)(S)	122.4098	2.180	4	122.4098	4.753	4	122.2962	3.837	32	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:S-2:S-1:	O(PC[6a]SS)(CCHH)	C(CCHH)(OP)(H)2	P(C[6a]C[6a]2)(OC)(SS)(S)	O(PC[6a]SS)(CCHH)	C(CCHH)(OP)(H)2	P(C[6a]C[6a]2)(OC)(SS)(S)	121.4130	1.305	5	121.4130	1.704	5	122.2962	3.837	32	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:S-2:S-1:	O(PC[6a]SS)(CCHH)	C(CHHO)(OP)(H)2	P(C[6a]C[6a]2)(OC)(SP)(S)	O(PC[6a]SS)(CCHH)	C(CHHO)(OP)(H)2	P(C[6a]C[6a]2)(OC)(SP)(S)	123.5352	1.205	12	123.5352	1.453	12	122.2962	3.837	32	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:S-2:S-1:	O(PC[6a]SS)(CCHH)	C(CHHO)(OP)(H)2	P(C[6a]C[6a]2)(OC)(SS)(S)	O(PC[6a]SS)(CCHH)	C(CHHO)(OP)(H)2	P(C[6a]C[6a]2)(OC)(SS)(S)	123.2240	0.000	1	123.2240	0.000	1	122.2962	3.837	32	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:S-2:O-2:S-1:	O(PC[6a]SS)(CCHH)	C(CHHO)(OP)(H)2	P(C[6a]C[6a]2)(SSn)(OC)(S)	O(PC[6a]SS)(CCHH)	C(CHHO)(OP)(H)2	P(C[6a]C[6a]2)(SSn)(OC)(S)	119.2355	1.119	2	119.2355	1.253	2	119.2355	1.253	2	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:Se-2:O-2:Se-1:	O(PC[6a]Se2)(CCHH)	C(CCHH)(OP)(H)2	P(C[6a]C[6a]2)(SeC)(OC)(Se)	O(PC[6a]Se2)(CCHH)	C(CCHH)(OP)(H)2	P(C[6a]C[6a]2)(SeC)(OC)(Se)	121.4029	0.619	7	121.4029	0.384	7	122.1421	3.767	13	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:Se-2:O-2:Se-1:	O(PC[6a]Se2)(CCHH)	C(CHHO)(OP)(H)2	P(C[6a]C[6a]2)(SeC)(OC)(Se)	O(PC[6a]Se2)(CCHH)	C(CHHO)(OP)(H)2	P(C[6a]C[6a]2)(SeC)(OC)(Se)	123.0045	2.631	6	123.0045	6.924	6	122.1421	3.767	13	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	N[5]-3:O-2:O-2:S-1:	O(PN[5]OS)(CCHH)	C(CH3)(OP)(H)2	P(N[5]C[5]2)(OC)2(S)	O(PN[5]OS)(CCHH)	C(CH3)(OP)(H)2	P(N[5]C[5]2)(OC)2(S)	126.1623	1.254	4	126.1623	1.574	4	126.1623	1.574	4	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	N[6]-3:O-2:O-2:O-1:	O(PN[6]OO)(CCHH)	C(CH3)(OP)(H)2	P(N[6]C[6,6a]C[6])(OC)2(O)	O(PN[6]OO)(CCHH)	C(CH3)(OP)(H)2	P(N[6]C[6,6a]C[6])(OC)2(O)	123.1235	1.860	4	123.1235	3.459	4	123.1235	3.459	4	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:1:	P-4:C-4:	C[4]-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-2:O-1:	O(PC[6a]OO)(CC[4]HH)	C(C[4]C[4]2H)(OP)(H)2	P(C[6a]C[6a]2)(OC)2(O)	O(PC[6a]OO)(CC[4]HH)	C(C[4]C[4]2H)(OP)(H)2	P(C[6a]C[6a]2)(OC)2(O)	116.0770	0.000	1	116.0770	0.000	1	116.0770	0.000	1	121.3470	5.444	172	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:2:	C-4:P-4:	C-4:O-2:H-1:H-1:	N-3:O-2:O-2:O-2:	O(CCHH)(PNOO)	C(CH3)(OP)(H)2	P(NC[6a]H)(OB)(OC)2	O(CCHH)(PNOO)	C(CH3)(OP)(H)2	P(NC[6a]H)(OB)(OC)2	124.4423	1.812	7	124.4423	3.285	7	123.3930	4.843	11	121.7483	6.078	32	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:2:	C-4:P-4:	C-4:O-2:H-1:H-1:	N-3:O-2:O-2:O-2:	O(CCHH)(PNOO)	C(CH3)(OP)(H)2	P(NC[6a]Rh)(OB)(OC)2	O(CCHH)(PNOO)	C(CH3)(OP)(H)2	P(NC[6a]Rh)(OB)(OC)2	120.4660	1.431	2	120.4660	2.048	2	123.3930	4.843	11	121.7483	6.078	32	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:2:	C-4:P-4:	C-4:O-2:H-1:H-1:	N-3:O-2:O-2:O-2:	O(CCHH)(PNOO)	C(CH3)(OP)(H)2	P(NC[6a]Rh)(OB[6,6])(OC)2	O(CCHH)(PNOO)	C(CH3)(OP)(H)2	P(NC[6a]Rh)(OB[6,6])(OC)2	122.6475	0.848	2	122.6475	0.719	2	123.3930	4.843	11	121.7483	6.078	32	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:2:	C-4:P-4:	C-4:O-2:H-1:H-1:	S-3:S-2:O-2:O-2:	O(CCHH)(POSS)	C(CH3)(OP)(H)2	P(SCu2)(SCu)(OC)2	O(CCHH)(POSS)	C(CH3)(OP)(H)2	P(SCu2)(SCu)(OC)2	121.5460	0.064	2	121.5460	0.004	2	121.5460	0.004	2	121.7483	6.078	32	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:2:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[5a]-3:O-2:O-2:O-2:	O(PC[5a]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5a]C[5a]N[5a])(OB)(OC)2	O(PC[5a]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5a]C[5a]N[5a])(OB)(OC)2	122.7878	3.524	4	122.7878	12.418	4	122.9493	7.515	6	121.7483	6.078	32	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:2:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[5a]-3:O-2:O-2:O-2:	O(PC[5a]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5a]C[5a]N[5a])(OB)2(OC)	O(PC[5a]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5a]C[5a]N[5a])(OB)2(OC)	123.2725	0.077	2	123.2725	0.006	2	122.9493	7.515	6	121.7483	6.078	32	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:2:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[5a]-3:S-2:O-2:O-2:	O(PC[5a]OS)(CCHH)	C(CH3)(OP)(H)2	P(C[5a]C[5a]N[5a])(SPd)(OC)2	O(PC[5a]OS)(CCHH)	C(CH3)(OP)(H)2	P(C[5a]C[5a]N[5a])(SPd)(OC)2	120.4290	1.252	4	120.4290	1.567	4	120.4290	1.567	4	121.7483	6.078	32	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:2:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-2:O-2:	O(PC[6a]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[6a]C[6a]2)(ONi)(OC)2	O(PC[6a]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[6a]C[6a]2)(ONi)(OC)2	119.8940	1.789	2	119.8940	3.200	2	119.9502	0.855	6	121.7483	6.078	32	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:2:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:O-2:O-2:O-2:	O(PC[6a]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[6a]C[6a]2)(OPd)(OC)2	O(PC[6a]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[6a]C[6a]2)(OPd)(OC)2	119.9783	0.595	4	119.9783	0.354	4	119.9502	0.855	6	121.7483	6.078	32	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:2:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:S-2:S-2:O-2:	O(PC[6a]SS)(CCHH)	C(CCHH)(OP)(H)2	P(C[6a]C[6a]2)(SNi)2(OC)	O(PC[6a]SS)(CCHH)	C(CCHH)(OP)(H)2	P(C[6a]C[6a]2)(SNi)2(OC)	119.2035	1.289	2	119.2035	1.662	2	118.8063	1.304	3	121.7483	6.078	32	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:2:2:2:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:S-2:S-2:O-2:	O(PC[6a]SS)(CCHH)	C(CH3)(OP)(H)2	P(C[6a]C[6a]2)(SNi)2(OC)	O(PC[6a]SS)(CCHH)	C(CH3)(OP)(H)2	P(C[6a]C[6a]2)(SNi)2(OC)	118.0120	0.000	1	118.0120	0.000	1	118.8063	1.304	3	121.7483	6.078	32	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:3:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	N-3:N-3:O-2:O-1:	O(CCHH)(PNNO)	C(CH3)(OP)(H)2	P(NC[6a]H)2(OC)(O)	O(CCHH)(PNNO)	C(CH3)(OP)(H)2	P(NC[6a]H)2(OC)(O)	117.6150	0.000	1	117.6150	0.000	1	117.6150	0.000	1	119.4571	2.111	8	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:3:2:1:	C-4:P-4:	C[5,6]-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:S-1:	O(CC[5,6]HH)(PC[6a]2S)	C(C[5,6]C[5,5,6]P[5,5,6]H)(OP)(H)2	P(C[6a]C[6a]2)2(OC)(S)	O(CC[5,6]HH)(PC[6a]2S)	C(C[5,6]C[5,5,6]P[5,5,6]H)(OP)(H)2	P(C[6a]C[6a]2)2(OC)(S)	119.4553	1.103	3	119.4553	1.216	3	119.4553	1.216	3	119.4571	2.111	8	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:3:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-3:O-2:O-1:	O(PC[6a]CO)(CCHH)	C(CH3)(OP)(H)2	P(C[6a]C[6a]2)(CC[6a]C)(OC)(O)	O(PC[6a]CO)(CCHH)	C(CH3)(OP)(H)2	P(C[6a]C[6a]2)(CC[6a]C)(OC)(O)	118.5020	0.000	1	118.5020	0.000	1	118.5020	0.000	1	119.4571	2.111	8	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:3:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:O-1:	O(PC[6a]2O)(CCHH)	C(CN[5]3)(OP)(H)2	P(C[6a]C[6a]2)2(OC)(O)	O(PC[6a]2O)(CCHH)	C(CN[5]3)(OP)(H)2	P(C[6a]C[6a]2)2(OC)(O)	122.2690	0.000	1	122.2690	0.000	1	120.9910	3.267	2	119.4571	2.111	8	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:3:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:O-1:	O(PC[6a]2O)(CCHH)	C(CN[5]HH)(OP)(H)2	P(C[6a]C[6a]2)2(OC)(O)	O(PC[6a]2O)(CCHH)	C(CN[5]HH)(OP)(H)2	P(C[6a]C[6a]2)2(OC)(O)	119.7130	0.000	1	119.7130	0.000	1	120.9910	3.267	2	119.4571	2.111	8	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:3:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:O-2:S-1:	O(PC[6a]2S)(CCHH)	C(CCHH)(OP)(H)2	P(C[6a]C[6a]2)2(OC)(S)	O(PC[6a]2S)(CCHH)	C(CCHH)(OP)(H)2	P(C[6a]C[6a]2)2(OC)(S)	119.1920	0.000	1	119.1920	0.000	1	119.1920	0.000	1	119.4571	2.111	8	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:3:2:2:	P-4:C-4:	C-4:O-2:H-1:H-1:	Se-3:Se-3:O-2:O-2:	O(PSe2O)(CCHH)	C(CCHH)(OP)(H)2	P(SeCu2)2(OC)2	O(PSe2O)(CCHH)	C(CCHH)(OP)(H)2	P(SeCu2)2(OC)2	134.3825	6.581	4	134.3825	43.312	4	134.3825	43.312	4	134.3825	43.312	4	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:3:3:2:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(PC[6a]3)(CCHH)	C(CC3)(OP)(H)2	P(C[6a]C[6a]2)3(OC)	O(PC[6a]3)(CCHH)	C(CC3)(OP)(H)2	P(C[6a]C[6a]2)3(OC)	121.6530	0.638	2	121.6530	0.407	2	121.4520	0.256	4	121.4520	0.256	4	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:3:3:2:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(PC[6a]3)(CCHH)	C(CCHH)(OP)(H)2	P(C[6a]C[6a]2)3(OC)	O(PC[6a]3)(CCHH)	C(CCHH)(OP)(H)2	P(C[6a]C[6a]2)3(OC)	121.2510	0.447	2	121.2510	0.200	2	121.4520	0.256	4	121.4520	0.256	4	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:4:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6]-3:C-4:O-2:O-1:	O(PC[6]CO)(CCHH)	C(CH3)(OP)(H)2	P(C[6]C[6]2)(CCHN)(OC)(O)	O(PC[6]CO)(CCHH)	C(CH3)(OP)(H)2	P(C[6]C[6]2)(CCHN)(OC)(O)	120.4650	0.000	1	120.4650	0.000	1	120.4650	0.000	1	120.9460	0.746	6	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:4:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:O-2:O-1:	O(PC[6a]CO)(CCHH)	C(CH3)(OP)(H)2	P(C[6a]C[6a]2)(CCHO)(OC)(O)	O(PC[6a]CO)(CCHH)	C(CH3)(OP)(H)2	P(C[6a]C[6a]2)(CCHO)(OC)(O)	120.9060	0.000	1	120.9060	0.000	1	121.0422	0.863	5	120.9460	0.746	6	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:4:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:O-2:O-1:	O(PC[6a]CO)(CCHH)	C(CH3)(OP)(H)2	P(C[6a]C[6a]2)(CC[6a]CO)(OC)(O)	O(PC[6a]CO)(CCHH)	C(CH3)(OP)(H)2	P(C[6a]C[6a]2)(CC[6a]CO)(OC)(O)	120.8710	0.000	2	120.8710	0.000	2	121.0422	0.863	5	120.9460	0.746	6	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	3:4:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6a]-3:C-4:O-2:O-1:	O(PC[6a]CO)(CCHH)	C(CH3)(OP)(H)2	P(C[6a]C[6a]2)(CC[6a]HH)(OC)(O)	O(PC[6a]CO)(CCHH)	C(CH3)(OP)(H)2	P(C[6a]C[6a]2)(CC[6a]HH)(OC)(O)	121.2815	1.805	2	121.2815	3.259	2	121.0422	0.863	5	120.9460	0.746	6	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:1:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:H-1:O-1:	O(CCHH)(PCHO)	C(CH3)(OP)(H)2	P(CC[6a]CN)(OC)(H)(O)	O(CCHH)(PCHO)	C(CH3)(OP)(H)2	P(CC[6a]CN)(OC)(H)(O)	122.0540	0.000	1	122.0540	0.000	1	122.0540	0.000	1	122.0426	1.791	12	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:1:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-1:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6]HH)(OC)(O)2	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6]HH)(OC)(O)2	121.4650	0.000	1	121.4650	0.000	1	122.0608	2.184	10	122.0426	1.791	12	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:1:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-1:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6a]HH)(OC)(O)2	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6a]HH)(OC)(O)2	123.3950	1.482	2	123.3950	2.197	2	122.0608	2.184	10	122.0426	1.791	12	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:1:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-1:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6a]HN)(OC)(O)2	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6a]HN)(OC)(O)2	121.1610	1.083	5	121.1610	1.172	5	122.0608	2.184	10	122.0426	1.791	12	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:1:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-1:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CCl2P)(OC)(O)2	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CCl2P)(OC)(O)2	123.2740	1.366	2	123.2740	1.866	2	122.0608	2.184	10	122.0426	1.791	12	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:1:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[5]-4:O-2:O-1:O-1:	O(PC[5]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5]C[5]2H)(OC)(O)2	O(PC[5]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5]C[5]2H)(OC)(O)2	121.8490	0.000	1	121.8490	0.000	1	121.8490	0.000	1	122.0426	1.791	12	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	B-4:O-2:O-2:O-1:	O(CCHH)(PBOO)	C(CH3)(OP)(H)2	P(BC[6a]3)(OC)2(O)	O(CCHH)(PBOO)	C(CH3)(OP)(H)2	P(BC[6a]3)(OC)2(O)	125.0395	1.777	2	125.0395	3.158	2	125.0395	3.158	2	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CC3)(OP)(H)2	P(CC[6a]HH)(OC)(OH)(O)	O(CCHH)(PCOO)	C(CC3)(OP)(H)2	P(CC[6a]HH)(OC)(OH)(O)	116.5740	0.000	1	116.5740	0.000	1	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CCHH)(OP)(H)2	P(CCHH)(OC)(OH)(O)	O(CCHH)(PCOO)	C(CCHH)(OP)(H)2	P(CCHH)(OC)(OH)(O)	119.0860	0.000	1	119.0860	0.000	1	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CCHH)(OP)(H)2	P(CHHP)(OC)(OH)(O)	O(CCHH)(PCOO)	C(CCHH)(OP)(H)2	P(CHHP)(OC)(OH)(O)	122.3320	1.264	2	122.3320	1.598	2	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CF3)(OP)(H)2	P(CCCH)(OC)2(O)	O(CCHH)(PCOO)	C(CF3)(OP)(H)2	P(CCCH)(OC)2(O)	124.5175	1.094	2	124.5175	1.197	2	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CF3)(OP)(H)2	P(CC[6a]HO)(OC)2(O)	O(CCHH)(PCOO)	C(CF3)(OP)(H)2	P(CC[6a]HO)(OC)2(O)	121.7005	0.996	4	121.7005	0.992	4	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CCCH)(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CCCH)(OC)2(O)	121.2095	0.286	2	121.2095	0.082	2	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CCCN)(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CCCN)(OC)2(O)	123.0374	2.715	14	123.0374	7.370	14	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CCCP)(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CCCP)(OC)2(O)	122.7407	3.323	12	122.7407	11.043	12	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CCFF)(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CCFF)(OC)2(O)	122.3300	3.077	4	122.3300	9.470	4	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CCFH)(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CCFH)(OC)2(O)	121.4785	1.073	2	121.4785	1.151	2	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CCHH)(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CCHH)(OC)2(O)	123.1859	4.433	18	123.1859	19.653	18	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CCHN)(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CCHN)(OC)2(O)	121.8694	2.010	40	121.8694	4.040	40	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CCHO)(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CCHO)(OC)2(O)	121.8046	1.132	14	121.8046	1.282	14	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CCHP)(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CCHP)(OC)2(O)	120.7873	2.650	12	120.7873	7.023	12	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[3]HN)(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[3]HN)(OC)2(O)	120.9283	1.546	4	120.9283	2.389	4	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[3]HO)(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[3]HO)(OC)2(O)	121.0250	2.203	2	121.0250	4.855	2	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[5]HH)(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[5]HH)(OC)2(O)	121.3505	3.277	2	121.3505	10.742	2	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[5]HN)(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[5]HN)(OC)2(O)	121.5405	0.349	2	121.5405	0.122	2	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[5a]HN)(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[5a]HN)(OC)2(O)	121.9420	1.184	2	121.9420	1.401	2	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6]HH)(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6]HH)(OC)2(O)	121.9899	2.923	8	121.9899	8.545	8	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6]HN)(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6]HN)(OC)2(O)	123.5130	2.994	12	123.5130	8.964	12	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6a]CH)(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6a]CH)(OC)2(O)	120.6155	3.871	2	120.6155	14.988	2	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6a]CN)(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6a]CN)(OC)2(O)	124.8420	0.000	1	124.8420	0.000	1	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6a]C[5]O)(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6a]C[5]O)(OC)2(O)	120.2805	1.662	2	120.2805	2.764	2	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6a]HH)(OC)(OH)(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6a]HH)(OC)(OH)(O)	119.1980	0.000	1	119.1980	0.000	1	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6a]HH)(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6a]HH)(OC)2(O)	121.2183	1.879	20	121.2183	3.530	20	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6a]HH)(OCu)(OC)(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6a]HH)(OCu)(OC)(O)	120.4370	0.000	1	120.4370	0.000	1	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6a]HN)(OC)(OH)(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6a]HN)(OC)(OH)(O)	123.4350	0.000	1	123.4350	0.000	1	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6a]HN)(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6a]HN)(OC)2(O)	122.7710	2.239	36	122.7710	5.012	36	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6a]HO)(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6a]HO)(OC)2(O)	125.0325	0.585	2	125.0325	0.342	2	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6a]HP)(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6a]HP)(OC)2(O)	122.8750	2.656	4	122.8750	7.054	4	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6a]N[5a]H)(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6a]N[5a]H)(OC)2(O)	122.9275	1.460	2	122.9275	2.132	2	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CFFS)(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CFFS)(OC)2(O)	125.9270	4.496	2	125.9270	20.212	2	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CHHN)(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CHHN)(OC)2(O)	121.9668	2.137	4	121.9668	4.568	4	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CHHO)(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CHHO)(OC)2(O)	124.1511	5.183	8	124.1511	26.863	8	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CHHS)(OC)2(O)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CHHS)(OC)2(O)	122.4400	1.901	2	122.4400	3.613	2	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CHHN)(OP)(H)2	P(CC[6a]HN)(OC)2(O)	O(CCHH)(PCOO)	C(CHHN)(OP)(H)2	P(CC[6a]HN)(OC)2(O)	122.6852	1.148	4	122.6852	1.317	4	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-1:	O(CCHH)(PCOO)	C(CHHN)(OP)(H)2	P(CH3)(OC)2(O)	O(CCHH)(PCOO)	C(CHHN)(OP)(H)2	P(CH3)(OC)2(O)	123.3960	0.000	1	123.3960	0.000	1	122.2917	7.248	253	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	C-4:P-4:	C[6]-4:O-2:H-1:H-1:	C-4:O-2:O-2:S-1:	O(CC[6]HH)(PCOS)	C(C[6]C[5,6]O[6]H)(OP)(H)2	P(CH3)(OC)2(S)	O(CC[6]HH)(PCOS)	C(C[6]C[5,6]O[6]H)(OP)(H)2	P(CH3)(OC)2(S)	123.2960	0.000	1	123.2960	0.000	1	123.2960	0.000	1	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[3]-4:O-2:O-2:O-1:	O(PC[3]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[3]C[3]2C)(OC)2(O)	O(PC[3]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[3]C[3]2C)(OC)2(O)	117.5985	3.654	2	117.5985	13.349	2	119.8047	6.094	10	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[3]-4:O-2:O-2:O-1:	O(PC[3]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[3]C[3]2N)(OC)2(O)	O(PC[3]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[3]C[3]2N)(OC)2(O)	120.3563	2.047	8	120.3563	4.190	8	119.8047	6.094	10	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[5,5]-4:O-2:O-2:O-1:	O(PC[5,5]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5,5]C[5,6a]N[5,5]C[5])(OC)2(O)	O(PC[5,5]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5,5]C[5,6a]N[5,5]C[5])(OC)2(O)	120.5525	2.147	2	120.5525	4.612	2	121.0837	1.107	6	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[5,5]-4:O-2:O-2:O-1:	O(PC[5,5]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5,5]N[5,5]C[5]2)(OC)2(O)	O(PC[5,5]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5,5]N[5,5]C[5]2)(OC)2(O)	121.3492	0.162	4	121.3492	0.026	4	121.0837	1.107	6	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[5]-4:O-2:O-2:O-1:	O(PC[5]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5]C[5]2C)(OC)2(O)	O(PC[5]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5]C[5]2C)(OC)2(O)	122.0292	2.204	4	122.0292	4.856	4	122.2669	4.691	34	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[5]-4:O-2:O-2:O-1:	O(PC[5]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5]C[5]2Fe)(OC)2(O)	O(PC[5]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5]C[5]2Fe)(OC)2(O)	122.2880	1.953	2	122.2880	3.814	2	122.2669	4.691	34	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[5]-4:O-2:O-2:O-1:	O(PC[5]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5]C[5]2H)(OC)2(O)	O(PC[5]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5]C[5]2H)(OC)2(O)	121.9062	0.738	4	121.9062	0.544	4	122.2669	4.691	34	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[5]-4:O-2:O-2:O-1:	O(PC[5]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5]C[5]N[5]C)(OC)2(O)	O(PC[5]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5]C[5]N[5]C)(OC)2(O)	122.0255	1.556	4	122.0255	2.422	4	122.2669	4.691	34	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[5]-4:O-2:O-2:O-1:	O(PC[5]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5]C[5]N[5]H)(OC)2(O)	O(PC[5]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5]C[5]N[5]H)(OC)2(O)	121.4510	0.655	2	121.4510	0.429	2	122.2669	4.691	34	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[5]-4:O-2:O-2:O-1:	O(PC[5]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5]C[5]O[5]H)(OC)2(O)	O(PC[5]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5]C[5]O[5]H)(OC)2(O)	123.0045	2.934	6	123.0045	8.609	6	122.2669	4.691	34	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[5]-4:O-2:O-2:O-1:	O(PC[5]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5]C[5]O[5]O)(OC)2(O)	O(PC[5]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5]C[5]O[5]O)(OC)2(O)	123.3440	1.360	2	123.3440	1.851	2	122.2669	4.691	34	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[5]-4:O-2:O-2:O-1:	O(PC[5]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5]C[6a]C[5]2)(OC)2(O)	O(PC[5]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5]C[6a]C[5]2)(OC)2(O)	121.1112	2.377	4	121.1112	5.650	4	122.2669	4.691	34	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[5]-4:O-2:O-2:O-1:	O(PC[5]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5]C[6a]C[5]N[5])(OC)2(O)	O(PC[5]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5]C[6a]C[5]N[5])(OC)2(O)	125.2975	4.535	2	125.2975	20.563	2	122.2669	4.691	34	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[5]-4:O-2:O-2:O-1:	O(PC[5]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5]S[5]2H)(OC)2(O)	O(PC[5]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[5]S[5]2H)(OC)2(O)	121.4995	1.889	4	121.4995	3.568	4	122.2669	4.691	34	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6,6]-4:O-2:O-2:O-1:	O(PC[6,6]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[6,6]C[6,6a]N[6,6]C[6])(OC)2(O)	O(PC[6,6]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[6,6]C[6,6a]N[6,6]C[6])(OC)2(O)	121.0770	1.368	2	121.0770	1.870	2	121.0770	1.870	2	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6]-4:O-2:O-2:O-1:	O(PC[6]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[6]C[5a,6]C[6,6a]H)(OC)2(O)	O(PC[6]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[6]C[5a,6]C[6,6a]H)(OC)2(O)	120.8810	1.195	4	120.8810	1.429	4	122.0161	8.370	22	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6]-4:O-2:O-2:O-1:	O(PC[6]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[6]C[6,6]C[6]H)(OC)2(O)	O(PC[6]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[6]C[6,6]C[6]H)(OC)2(O)	119.2542	3.647	4	119.2542	13.297	4	122.0161	8.370	22	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6]-4:O-2:O-2:O-1:	O(PC[6]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[6]C[6]2C)(OC)2(O)	O(PC[6]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[6]C[6]2C)(OC)2(O)	122.8702	0.393	4	122.8702	0.154	4	122.0161	8.370	22	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6]-4:O-2:O-2:O-1:	O(PC[6]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[6]C[6]2H)(OC)2(O)	O(PC[6]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[6]C[6]2H)(OC)2(O)	124.2012	3.504	6	124.2012	12.277	6	122.0161	8.370	22	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6]-4:O-2:O-2:O-1:	O(PC[6]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[6]C[6]N[6]H)(OC)2(O)	O(PC[6]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[6]C[6]N[6]H)(OC)2(O)	122.2400	0.598	2	122.2400	0.358	2	122.0161	8.370	22	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:1:	P-4:C-4:	C-4:O-2:H-1:H-1:	C[6]-4:O-2:O-2:O-1:	O(PC[6]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[6]C[6]O[6]H)(OC)2(O)	O(PC[6]OO)(CCHH)	C(CH3)(OP)(H)2	P(C[6]C[6]O[6]H)(OC)2(O)	121.3225	1.043	2	121.3225	1.088	2	122.0161	8.370	22	122.1858	7.021	330	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:2:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-2:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CCHN)(OZn)(OC)2	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CCHN)(OZn)(OC)2	123.2045	3.238	4	123.2045	10.486	4	123.9000	18.937	9	123.4558	18.606	13	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:2:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-2:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6a]HH)(OCu)2(OC)	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6a]HH)(OCu)2(OC)	120.8890	0.000	1	120.8890	0.000	1	123.9000	18.937	9	123.4558	18.606	13	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:2:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-2:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6a]HP)(OPd)(OC)2	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CC[6a]HP)(OPd)(OC)2	120.3555	0.634	2	120.3555	0.402	2	123.9000	18.937	9	123.4558	18.606	13	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:2:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:O-2:O-2:O-2:	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CN[5]HH)(OIn)(OC)2	O(CCHH)(PCOO)	C(CH3)(OP)(H)2	P(CN[5]HH)(OIn)(OC)2	130.3410	0.734	2	130.3410	0.539	2	123.9000	18.937	9	123.4558	18.606	13	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:2:2:2:	C-4:P-4:	C-4:O-2:H-1:H-1:	P-4:N-2:O-2:O-2:	O(CCHH)(PNOP)	C(CF3)(OP)(H)2	P(PC3)(NSi)(OC)2	O(CCHH)(PNOP)	C(CF3)(OP)(H)2	P(PC3)(NSi)(OC)2	122.4562	4.690	4	122.4562	22.001	4	122.4562	22.001	4	123.4558	18.606	13	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:2:1:1:	4:4:2:1:	C-4:P-4:	C-4:O-2:H-1:H-1:	C-4:C-4:O-2:O-1:	O(CCHH)(PCCO)	C(CH3)(OP)(H)2	P(CCHH)(CCHN)(OC)(O)	O(CCHH)(PCCO)	C(CH3)(OP)(H)2	P(CCHH)(CCHN)(OC)(O)	122.0760	0.000	1	122.0760	0.000	1	122.0760	0.000	1	122.0760	0.000	1	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:3:2:1:	2:2:2:1:	C-4:P-4:	C[5]-4:C[6a]-3:O-2:H-1:	O-2:O-2:O-2:O-1:	O(CC[6a]C[5]H)(PO3)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(OP)(H)	P(OC)3(O)	O(CC[6a]C[5]H)(PO3)	C(C[5]C[5,6a]C[5]O)(C[6a]C[6a]2)(OP)(H)	P(OC)3(O)	124.3225	4.604	4	124.3225	21.196	4	124.3225	21.196	4	124.3225	21.196	4	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	2:2:1:1:	C-4:P-4:	C-4:C-4:O-2:H-1:	O-2:O-2:O-1:O-1:	O(CCCH)(PO3)	C(CCHN)(CH3)(OP)(H)	P(OC)(OH)(O)2	O(CCCH)(PO3)	C(CCHN)(CH3)(OP)(H)	P(OC)(OH)(O)2	124.3935	2.017	2	124.3935	4.070	2	121.3953	4.469	8	121.8638	4.310	12	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	2:2:1:1:	C-4:P-4:	C-4:C-4:O-2:H-1:	O-2:O-2:O-1:O-1:	O(CCCH)(PO3)	C(CH3)2(OP)(H)	P(OC)(OH)(O)2	O(CCCH)(PO3)	C(CH3)2(OP)(H)	P(OC)(OH)(O)2	119.7015	0.872	2	119.7015	0.760	2	121.3953	4.469	8	121.8638	4.310	12	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	2:2:1:1:	C-4:P-4:	C-4:C-4:O-2:H-1:	O-2:O-2:O-1:O-1:	O(CCCH)(PO3)	C(CHHN)(CH3)(OP)(H)	P(OC[5])(OC)(O)2	O(CCCH)(PO3)	C(CHHN)(CH3)(OP)(H)	P(OC[5])(OC)(O)2	120.7430	0.587	4	120.7430	0.344	4	121.3953	4.469	8	121.8638	4.310	12	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	2:2:1:1:	C-4:P-4:	C-4:C-4:O-2:H-1:	O-2:O-2:S-1:S-1:	O(CCCH)(POSS)	C(CH3)2(OP)(H)	P(OC)2(S)2	O(CCCH)(POSS)	C(CH3)2(OP)(H)	P(OC)2(S)2	123.7870	0.061	2	123.7870	0.004	2	123.7870	0.004	2	121.8638	4.310	12	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	2:2:1:1:	P-4:C-4:	C-4:C-4:O-2:H-1:	O-2:O-2:Se-1:Se-1:	O(PSe2O)(CCCH)	C(CH3)2(OP)(H)	P(OC)2(Se)2	O(PSe2O)(CCCH)	C(CH3)2(OP)(H)	P(OC)2(Se)2	121.8150	2.640	2	121.8150	6.971	2	121.8150	6.971	2	121.8638	4.310	12	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	2:2:2:1:	C-4:P-4:	C-4:C-4:O-2:H-1:	N-2:O-2:O-2:S-1:	O(CCCH)(PNOS)	C(CH3)2(OP)(H)	P(NC)(OC)2(S)	O(CCCH)(PNOS)	C(CH3)2(OP)(H)	P(NC)(OC)2(S)	123.5730	1.827	4	123.5730	3.338	4	123.5730	3.338	4	121.7550	2.724	20	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	2:2:2:1:	C-4:P-4:	C-4:C-4:O-2:H-1:	O-2:O-2:O-2:O-1:	O(CCCH)(PO3)	C(CCHN)(CH3)(OP)(H)	P(OC)2(OH)(O)	O(CCCH)(PO3)	C(CCHN)(CH3)(OP)(H)	P(OC)2(OH)(O)	122.9220	0.000	1	122.9220	0.000	1	120.5775	1.810	8	121.7550	2.724	20	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	2:2:2:1:	C-4:P-4:	C-4:C-4:O-2:H-1:	O-2:O-2:O-2:O-1:	O(CCCH)(PO3)	C(CF3)2(OP)(H)	P(OC)3(O)	O(CCCH)(PO3)	C(CF3)2(OP)(H)	P(OC)3(O)	120.7193	0.645	3	120.7193	0.416	3	120.5775	1.810	8	121.7550	2.724	20	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	2:2:2:1:	C-4:P-4:	C-4:C-4:O-2:H-1:	O-2:O-2:O-2:O-1:	O(CCCH)(PO3)	C(CH3)2(OP)(H)	P(OC)(OH)2(O)	O(CCCH)(PO3)	C(CH3)2(OP)(H)	P(OC)(OH)2(O)	120.2700	0.379	2	120.2700	0.144	2	120.5775	1.810	8	121.7550	2.724	20	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	2:2:2:1:	C-4:P-4:	C-4:C-4:O-2:H-1:	O-2:O-2:O-2:O-1:	O(CCCH)(PO3)	C(CH3)2(OP)(H)	P(OC[6a])(OC)(OH)(O)	O(CCCH)(PO3)	C(CH3)2(OP)(H)	P(OC[6a])(OC)(OH)(O)	120.8470	0.000	1	120.8470	0.000	1	120.5775	1.810	8	121.7550	2.724	20	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	2:2:2:1:	C-4:P-4:	C-4:C-4:O-2:H-1:	O-2:O-2:O-2:O-1:	O(CCCH)(PO3)	C(CHHN)(CH3)(OP)(H)	P(OC[5])(OC)(OH)(O)	O(CCCH)(PO3)	C(CHHN)(CH3)(OP)(H)	P(OC[5])(OC)(OH)(O)	118.1530	0.000	1	118.1530	0.000	1	120.5775	1.810	8	121.7550	2.724	20	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	2:2:2:1:	C-4:P-4:	C-4:C-4:O-2:H-1:	O-2:O-2:O-2:S-1:	O(CCCH)(POOS)	C(CH3)2(OP)(H)	P(OC[6a])(OC)2(S)	O(CCCH)(POOS)	C(CH3)2(OP)(H)	P(OC[6a])(OC)2(S)	122.1833	1.020	4	122.1833	1.040	4	122.1833	1.040	4	121.7550	2.724	20	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	2:2:2:1:	C-4:P-4:	C-4:C-4:O-2:H-1:	O-2:O-2:S-2:S-1:	O(CCCH)(POSS)	C(CH3)2(OP)(H)	P(OC)2(SC)(S)	O(CCCH)(POSS)	C(CH3)2(OP)(H)	P(OC)2(SC)(S)	121.9585	0.547	2	121.9585	0.299	2	121.9585	0.299	2	121.7550	2.724	20	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	2:2:2:1:	P-4:C-4:	C-4:C-4:O-2:H-1:	Se-2:O-2:O-2:Se-1:	O(PSe2O)(CCCH)	C(CH3)2(OP)(H)	P(SeSe)(OC)2(Se)	O(PSe2O)(CCCH)	C(CH3)2(OP)(H)	P(SeSe)(OC)2(Se)	121.7685	0.716	2	121.7685	0.513	2	121.7685	0.513	2	121.7550	2.724	20	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	2:2:2:2:	C-4:P-4:	C-4:C-4:O-2:H-1:	O-2:O-2:S-2:S-2:	O(CCCH)(POSS)	C(CH3)2(OP)(H)	P(OC)2(SW)2	O(CCCH)(POSS)	C(CH3)2(OP)(H)	P(OC)2(SW)2	122.0270	2.137	4	122.0270	4.566	4	122.0270	4.566	4	122.8361	5.830	76	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	2:2:2:2:	C-4:P-4:	C-4:C-4:O-2:H-1:	S-2:N-2:O-2:O-2:	O(CCCH)(PNOS)	C(CH3)2(OP)(H)	P(SAg)(NC)(OC)2	O(CCCH)(PNOS)	C(CH3)2(OP)(H)	P(SAg)(NC)(OC)2	122.7365	5.542	2	122.7365	30.709	2	122.8639	4.571	62	122.8361	5.830	76	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	2:2:2:2:	C-4:P-4:	C-4:C-4:O-2:H-1:	S-2:N-2:O-2:O-2:	O(CCCH)(PNOS)	C(CH3)2(OP)(H)	P(SCd)(NC)(OC)2	O(CCCH)(PNOS)	C(CH3)2(OP)(H)	P(SCd)(NC)(OC)2	124.4587	2.163	4	124.4587	4.680	4	122.8639	4.571	62	122.8361	5.830	76	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	2:2:2:2:	C-4:P-4:	C-4:C-4:O-2:H-1:	S-2:N-2:O-2:O-2:	O(CCCH)(PNOS)	C(CH3)2(OP)(H)	P(SCo)(NC)(OC)2	O(CCCH)(PNOS)	C(CH3)2(OP)(H)	P(SCo)(NC)(OC)2	122.9522	1.064	4	122.9522	1.132	4	122.8639	4.571	62	122.8361	5.830	76	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	2:2:2:2:	C-4:P-4:	C-4:C-4:O-2:H-1:	S-2:N-2:O-2:O-2:	O(CCCH)(PNOS)	C(CH3)2(OP)(H)	P(SCu)(NC)(OC)2	O(CCCH)(PNOS)	C(CH3)2(OP)(H)	P(SCu)(NC)(OC)2	122.7979	2.166	40	122.7979	4.693	40	122.8639	4.571	62	122.8361	5.830	76	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	2:2:2:2:	C-4:P-4:	C-4:C-4:O-2:H-1:	S-2:N-2:O-2:O-2:	O(CCCH)(PNOS)	C(CH3)2(OP)(H)	P(SNi)(NC)(OC)2	O(CCCH)(PNOS)	C(CH3)2(OP)(H)	P(SNi)(NC)(OC)2	122.4808	1.774	8	122.4808	3.147	8	122.8639	4.571	62	122.8361	5.830	76	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	2:2:2:2:	C-4:P-4:	C-4:C-4:O-2:H-1:	S-2:N-2:O-2:O-2:	O(CCCH)(PNOS)	C(CH3)2(OP)(H)	P(SPd)(NC)(OC)2	O(CCCH)(PNOS)	C(CH3)2(OP)(H)	P(SPd)(NC)(OC)2	122.6695	2.151	4	122.6695	4.627	4	122.8639	4.571	62	122.8361	5.830	76	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	2:2:2:2:	C-4:P-4:	C-4:C-4:O-2:H-1:	S-2:S-2:O-2:O-2:	O(CCCH)(POSS)	C(CH3)2(OP)(H)	P(SCu)2(OC)2	O(CCCH)(POSS)	C(CH3)2(OP)(H)	P(SCu)2(OC)2	129.5140	1.646	2	129.5140	2.710	2	122.6096	19.359	8	122.8361	5.830	76	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	2:2:2:2:	C-4:P-4:	C-4:C-4:O-2:H-1:	S-2:S-2:O-2:O-2:	O(CCCH)(POSS)	C(CH3)2(OP)(H)	P(SNi)2(OC)2	O(CCCH)(POSS)	C(CH3)2(OP)(H)	P(SNi)2(OC)2	120.3082	1.066	6	120.3082	1.137	6	122.6096	19.359	8	122.8361	5.830	76	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	2:2:2:2:	P-4:C-4:	C-4:C-4:O-2:H-1:	Se-2:Se-2:O-2:O-2:	O(PSe2O)(CCCH)	C(CH3)2(OP)(H)	P(SeSb)2(OC)2	O(PSe2O)(CCCH)	C(CH3)2(OP)(H)	P(SeSb)2(OC)2	124.4990	0.792	2	124.4990	0.627	2	124.4990	0.627	2	122.8361	5.830	76	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	3:2:1:1:	P-4:C-4:	C-4:C-4:O-2:H-1:	C[5]-3:O-2:O-1:O-1:	O(PC[5]OO)(CCCH)	C(CH3)2(OP)(H)	P(C[5]C[5]N[5])(OC)(O)2	O(PC[5]OO)(CCCH)	C(CH3)2(OP)(H)	P(C[5]C[5]N[5])(OC)(O)2	121.2810	0.865	2	121.2810	0.749	2	121.2810	0.749	2	121.2810	0.749	2	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	3:2:2:1:	C-4:P-4:	C-4:C-4:O-2:H-1:	C-3:O-2:O-2:O-1:	O(CCCH)(PCOO)	C(CH3)2(OP)(H)	P(CCH)(OC)2(O)	O(CCCH)(PCOO)	C(CH3)2(OP)(H)	P(CCH)(OC)2(O)	122.6755	0.356	2	122.6755	0.127	2	122.6755	0.127	2	121.9007	3.388	58	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	3:2:2:1:	C-4:P-4:	C-4:C-4:O-2:H-1:	N-3:O-2:O-2:O-1:	O(CCCH)(PNOO)	C(CH3)2(OP)(H)	P(NCH)(OC)2(O)	O(CCCH)(PNOO)	C(CH3)2(OP)(H)	P(NCH)(OC)2(O)	120.4035	1.020	2	120.4035	1.041	2	120.7558	4.044	14	121.9007	3.388	58	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	3:2:2:1:	C-4:P-4:	C-4:C-4:O-2:H-1:	N-3:O-2:O-2:O-1:	O(CCCH)(PNOO)	C(CH3)2(OP)(H)	P(NC[6a]N)(OC)2(O)	O(CCCH)(PNOO)	C(CH3)2(OP)(H)	P(NC[6a]N)(OC)2(O)	122.6600	1.503	2	122.6600	2.260	2	120.7558	4.044	14	121.9007	3.388	58	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	3:2:2:1:	C-4:P-4:	C-4:C-4:O-2:H-1:	N-3:O-2:O-2:O-1:	O(CCCH)(PNOO)	C(CH3)2(OP)(H)	P(NNiC)(OC)2(O)	O(CCCH)(PNOO)	C(CH3)2(OP)(H)	P(NNiC)(OC)2(O)	119.5877	1.955	6	119.5877	3.821	6	120.7558	4.044	14	121.9007	3.388	58	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	3:2:2:1:	C-4:P-4:	C-4:C-4:O-2:H-1:	N-3:O-2:O-2:O-1:	O(CCCH)(PNOO)	C(CH3)2(OP)(H)	P(NPdC)(OC)2(O)	O(CCCH)(PNOO)	C(CH3)2(OP)(H)	P(NPdC)(OC)2(O)	121.7320	1.886	4	121.7320	3.558	4	120.7558	4.044	14	121.9007	3.388	58	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	3:2:2:1:	C-4:P-4:	C-4:C-4:O-2:H-1:	N-3:O-2:O-2:S-1:	O(CCCH)(PNOS)	C(CH3)2(OP)(H)	P(NCH)(OC)2(S)	O(CCCH)(PNOS)	C(CH3)2(OP)(H)	P(NCH)(OC)2(S)	122.2575	1.709	34	122.2575	2.921	34	122.3593	3.050	36	121.9007	3.388	58	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	3:2:2:1:	C-4:P-4:	C-4:C-4:O-2:H-1:	N-3:O-2:O-2:S-1:	O(CCCH)(PNOS)	C(CH3)2(OP)(H)	P(NNiC)(OC)2(S)	O(CCCH)(PNOS)	C(CH3)2(OP)(H)	P(NNiC)(OC)2(S)	124.0900	2.004	2	124.0900	4.016	2	122.3593	3.050	36	121.9007	3.388	58	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	3:2:2:1:	P-4:C-4:	C-4:C-4:O-2:H-1:	C[5]-3:O-2:O-2:O-1:	O(PC[5]OO)(CCCH)	C(CH3)2(OP)(H)	P(C[5]C[5]N[5])(OC)2(O)	O(PC[5]OO)(CCCH)	C(CH3)2(OP)(H)	P(C[5]C[5]N[5])(OC)2(O)	121.7475	0.456	2	121.7475	0.208	2	121.7475	0.208	2	121.9007	3.388	58	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	3:2:2:1:	P-4:C-4:	C-4:C-4:O-2:H-1:	C[6a]-3:O-2:O-2:Se-1:	O(PC[6a]SeO)(CCCH)	C(CSeHH)(CH3)(OP)(H)	P(C[6a]C[6a]2)(OC)2(Se)	O(PC[6a]SeO)(CCCH)	C(CSeHH)(CH3)(OP)(H)	P(C[6a]C[6a]2)(OC)2(Se)	122.2650	1.421	2	122.2650	2.020	2	122.2650	2.020	2	121.9007	3.388	58	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	3:2:2:1:	P-4:C-4:	C-4:C-4:O-2:H-1:	N[6]-3:O-2:O-2:S-1:	O(PN[6]OS)(CCCH)	C(CH3)2(OP)(H)	P(N[6]C[6]2)(OC)2(S)	O(PN[6]OS)(CCCH)	C(CH3)2(OP)(H)	P(N[6]C[6]2)(OC)2(S)	120.6755	1.005	2	120.6755	1.010	2	120.6755	1.010	2	121.9007	3.388	58	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	3:2:2:2:	P-4:C-4:	C-4:C-4:O-2:H-1:	C[6a]-3:O-2:O-2:O-2:	O(PC[6a]OO)(CCCH)	C(CH3)2(OP)(H)	P(C[6a]C[6a]2)(OSn)(OC)2	O(PC[6a]OO)(CCCH)	C(CH3)2(OP)(H)	P(C[6a]C[6a]2)(OSn)(OC)2	122.8258	2.110	6	122.8258	4.451	6	122.8258	4.451	6	122.2732	4.491	9	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	3:2:2:2:	P-4:C-4:	C-4:C-4:O-2:H-1:	C[6a]-3:S-2:S-2:O-2:	O(PC[6a]SS)(CCCH)	C(CH3)2(OP)(H)	P(C[6a]C[6a]2)(SCo)2(OC)	O(PC[6a]SS)(CCCH)	C(CH3)2(OP)(H)	P(C[6a]C[6a]2)(SCo)2(OC)	121.1680	2.021	3	121.1680	4.086	3	121.1680	4.086	3	122.2732	4.491	9	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	3:3:2:1:	C-4:P-4:	C-4:C-4:O-2:H-1:	N-3:N-3:O-2:S-1:	O(CCCH)(PNNS)	C(CH3)2(OP)(H)	P(NSi2)(NCH)(OC)(S)	O(CCCH)(PNNS)	C(CH3)2(OP)(H)	P(NSi2)(NCH)(OC)(S)	119.8370	0.000	1	119.8370	0.000	1	119.8370	0.000	1	122.4933	5.292	3	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	3:3:2:1:	P-4:C-4:	C-4:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:O-1:	O(PC[6a]2O)(CCCH)	C(CC[6a]ClH)(CCHH)(OP)(H)	P(C[6a]C[6a]2)2(OC)(O)	O(PC[6a]2O)(CCCH)	C(CC[6a]ClH)(CCHH)(OP)(H)	P(C[6a]C[6a]2)2(OC)(O)	123.8310	0.000	1	123.8310	0.000	1	123.8310	0.000	1	122.4933	5.292	3	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	3:3:2:1:	P-4:C-4:	C[3]-4:C-4:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:O-1:	O(PC[6a]2O)(CC[3]CH)	C(C[3]C[3]2H)(CCHH)(OP)(H)	P(C[6a]C[6a]2)2(OC)(O)	O(PC[6a]2O)(CC[3]CH)	C(C[3]C[3]2H)(CCHH)(OP)(H)	P(C[6a]C[6a]2)2(OC)(O)	123.8120	0.000	1	123.8120	0.000	1	123.8120	0.000	1	122.4933	5.292	3	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	3:3:2:2:	C-4:P-4:	C-4:C-4:O-2:H-1:	N-3:N-3:S-2:O-2:	O(CCCH)(PNNS)	C(CH3)2(OP)(H)	P(NMoC)(NSi2)(SMo)(OC)	O(CCCH)(PNNS)	C(CH3)2(OP)(H)	P(NMoC)(NSi2)(SMo)(OC)	125.1540	0.000	1	125.1540	0.000	1	125.1540	0.000	1	124.9910	9.605	5	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	3:3:2:2:	P-4:C-4:	C-4:C-4:O-2:H-1:	Se-3:Se-3:O-2:O-2:	O(PSe2O)(CCCH)	C(CH3)2(OP)(H)	P(SeCu2)2(OC)2	O(PSe2O)(CCCH)	C(CH3)2(OP)(H)	P(SeCu2)2(OC)2	124.9503	3.577	4	124.9503	12.795	4	124.9503	12.795	4	124.9910	9.605	5	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	3:4:2:1:	P-4:C-4:	C-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:O-1:	O(PC[6a]CO)(CCCH)	C(CH3)2(OP)(H)	P(C[6a]C[6a]2)(CC[6a]HH)(OC)(O)	O(PC[6a]CO)(CCCH)	C(CH3)2(OP)(H)	P(C[6a]C[6a]2)(CC[6a]HH)(OC)(O)	118.3670	0.000	1	118.3670	0.000	1	118.3670	0.000	1	120.0180	5.452	2	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	3:4:2:1:	P-4:C-4:	P-4:C-4:O-2:H-1:	C[6a]-3:C-4:O-2:O-1:	O(PC[6a]CO)(CCHP)	C(PC[6a]OO)(CCHH)(OP)(H)	P(C[6a]C[6a]2)(CCHO)(OC)(O)	O(PC[6a]CO)(CCHP)	C(PC[6a]OO)(CCHH)(OP)(H)	P(C[6a]C[6a]2)(CCHO)(OC)(O)	121.6690	0.000	1	121.6690	0.000	1	121.6690	0.000	1	120.0180	5.452	2	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	4:2:1:1:	C-4:P-4:	C-4:C-4:O-2:H-1:	C-4:O-2:O-1:O-1:	O(CCCH)(PCOO)	C(CH3)2(OP)(H)	P(CFFS)(OC)(O)2	O(CCCH)(PCOO)	C(CH3)2(OP)(H)	P(CFFS)(OC)(O)2	122.4230	0.000	1	122.4230	0.000	1	122.4230	0.000	1	122.4230	0.000	1	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	4:2:2:1:	C-4:P-4:	C-4:C-4:O-2:H-1:	C-4:O-2:O-2:O-1:	O(CCCH)(PCOO)	C(CCHH)(CHHN)(OP)(H)	P(CH3)(OC)2(O)	O(CCCH)(PCOO)	C(CCHH)(CHHN)(OP)(H)	P(CH3)(OC)2(O)	118.5610	0.000	1	118.5610	0.000	1	122.6928	5.123	41	122.4659	5.115	48	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	4:2:2:1:	C-4:P-4:	C-4:C-4:O-2:H-1:	C-4:O-2:O-2:O-1:	O(CCCH)(PCOO)	C(CH3)2(OP)(H)	P(CCCO)(OC)2(O)	O(CCCH)(PCOO)	C(CH3)2(OP)(H)	P(CCCO)(OC)2(O)	121.6475	2.416	4	121.6475	5.838	4	122.6928	5.123	41	122.4659	5.115	48	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	4:2:2:1:	C-4:P-4:	C-4:C-4:O-2:H-1:	C-4:O-2:O-2:O-1:	O(CCCH)(PCOO)	C(CH3)2(OP)(H)	P(CCFF)(OC)2(O)	O(CCCH)(PCOO)	C(CH3)2(OP)(H)	P(CCFF)(OC)2(O)	124.8740	0.160	2	124.8740	0.026	2	122.6928	5.123	41	122.4659	5.115	48	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	4:2:2:1:	C-4:P-4:	C-4:C-4:O-2:H-1:	C-4:O-2:O-2:O-1:	O(CCCH)(PCOO)	C(CH3)2(OP)(H)	P(CC[6a]CN)(OC)2(O)	O(CCCH)(PCOO)	C(CH3)2(OP)(H)	P(CC[6a]CN)(OC)2(O)	122.0475	0.112	2	122.0475	0.013	2	122.6928	5.123	41	122.4659	5.115	48	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	4:2:2:1:	C-4:P-4:	C-4:C-4:O-2:H-1:	C-4:O-2:O-2:O-1:	O(CCCH)(PCOO)	C(CH3)2(OP)(H)	P(CC[6a]HH)(OC)2(O)	O(CCCH)(PCOO)	C(CH3)2(OP)(H)	P(CC[6a]HH)(OC)2(O)	122.1027	2.639	6	122.1027	6.965	6	122.6928	5.123	41	122.4659	5.115	48	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	4:2:2:1:	C-4:P-4:	C-4:C-4:O-2:H-1:	C-4:O-2:O-2:O-1:	O(CCCH)(PCOO)	C(CH3)2(OP)(H)	P(CC[6a]HN)(OC)2(O)	O(CCCH)(PCOO)	C(CH3)2(OP)(H)	P(CC[6a]HN)(OC)2(O)	124.8022	2.138	10	124.8022	4.572	10	122.6928	5.123	41	122.4659	5.115	48	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	4:2:2:1:	C-4:P-4:	C-4:C-4:O-2:H-1:	C-4:O-2:O-2:O-1:	O(CCCH)(PCOO)	C(CH3)2(OP)(H)	P(CC[6a]HO)(OC)2(O)	O(CCCH)(PCOO)	C(CH3)2(OP)(H)	P(CC[6a]HO)(OC)2(O)	123.0730	0.875	2	123.0730	0.766	2	122.6928	5.123	41	122.4659	5.115	48	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	4:2:2:1:	C-4:P-4:	C-4:C-4:O-2:H-1:	C-4:O-2:O-2:O-1:	O(CCCH)(PCOO)	C(CH3)2(OP)(H)	P(CHHO)(OC)2(O)	O(CCCH)(PCOO)	C(CH3)2(OP)(H)	P(CHHO)(OC)2(O)	122.6315	2.739	2	122.6315	7.500	2	122.6928	5.123	41	122.4659	5.115	48	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	4:2:2:1:	C-4:P-4:	C-4:C-4:O-2:H-1:	C-4:O-2:O-2:O-1:	O(CCCH)(PCOO)	C(CH3)2(OP)(H)	P(CHHS)(OC)2(O)	O(CCCH)(PCOO)	C(CH3)2(OP)(H)	P(CHHS)(OC)2(O)	121.6136	0.977	12	121.6136	0.954	12	122.6928	5.123	41	122.4659	5.115	48	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	4:2:2:1:	P-4:C-4:	C-4:C-4:O-2:H-1:	C[5]-4:O-2:O-2:O-1:	O(PC[5]OO)(CCCH)	C(CH3)2(OP)(H)	P(C[5]C[5]N[5]C)(OC)2(O)	O(PC[5]OO)(CCCH)	C(CH3)2(OP)(H)	P(C[5]C[5]N[5]C)(OC)2(O)	121.2580	2.065	4	121.2580	4.263	4	121.2580	4.263	4	122.4659	5.115	48	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	4:2:2:1:	P-4:C-4:	C-4:C-4:O-2:H-1:	C[5]-4:O-2:S-2:S-1:	O(PC[5]SS)(CCCH)	C(CH3)2(OP)(H)	P(C[5]C[5]2Fe)(OC)(SC)(S)	O(PC[5]SS)(CCCH)	C(CH3)2(OP)(H)	P(C[5]C[5]2Fe)(OC)(SC)(S)	118.9410	0.000	1	118.9410	0.000	1	118.9410	0.000	1	122.4659	5.115	48	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:2:1:	4:2:2:1:	P-4:C-4:	C-4:C-4:O-2:H-1:	C[6]-4:O-2:O-2:O-1:	O(PC[6]OO)(CCCH)	C(CH3)2(OP)(H)	P(C[6]C[6,6a]C[6a]N[6])(OC)2(O)	O(PC[6]OO)(CCCH)	C(CH3)2(OP)(H)	P(C[6]C[6,6a]C[6a]N[6])(OC)2(O)	121.9935	1.363	2	121.9935	1.857	2	121.9935	1.857	2	122.4659	5.115	48	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:4:2:	2:2:1:1:	C-4:P-4:	C-4:C-4:C-4:O-2:	O-2:O-2:O-1:O-1:	O(CC3)(PO3)	C(CH3)3(OP)	P(OC)(OH)(O)2	O(CC3)(PO3)	C(CH3)3(OP)	P(OC)(OH)(O)2	129.9120	0.000	1	129.9120	0.000	1	128.3330	2.789	3	128.3330	2.789	3	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:4:2:	2:2:1:1:	C-4:P-4:	C-4:C-4:C-4:O-2:	O-2:O-2:O-1:O-1:	O(CC3)(PO3)	C(CH3)3(OP)	P(OC)2(O)2	O(CC3)(PO3)	C(CH3)3(OP)	P(OC)2(O)2	127.5435	1.356	2	127.5435	1.837	2	128.3330	2.789	3	128.3330	2.789	3	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:4:2:	2:2:2:1:	C-4:P-4:	C-4:C-4:C-4:O-2:	O-2:O-2:O-2:O-1:	O(CC3)(PO3)	C(CH3)3(OP)	P(OCu)(OC)2(O)	O(CC3)(PO3)	C(CH3)3(OP)	P(OCu)(OC)2(O)	128.3046	2.857	26	128.3046	8.162	26	128.3046	8.162	26	128.3046	8.162	26	121.7597	7.800	1449	121.7597	7.800	1449
893	490	992	0:SP3_SP3_SP3	O	C	P	4:4:	4:4:4:2:	2:2:2:2:	C-4:P-4:	C-4:C-4:C-4:O-2:	O-2:O-2:O-2:O-2:	O(CC3)(PO3)	C(CH3)3(OP)	P(OSn)2(OC)2	O(CC3)(PO3)	C(CH3)3(OP)	P(OSn)2(OC)2	127.8855	1.104	4	127.8855	1.220	4	127.8855	1.220	4	127.8855	1.220	4	121.7597	7.800	1449	121.7597	7.800	1449
893	530	887	0:SP3_SP3_SPD6	O	Ga	S	6:3:	2:2:2:2:2:2:	4:4:2:	Ga-6:S-3:	O-2:O-2:O-2:O-2:O-2:O-2:	C-4:C-4:O-2:	O(GaO5)(SCC)	Ga(OS)6	S(CH3)2(OGa)	O(GaO5)(SCC)	Ga(OS)6	S(CH3)2(OGa)	124.1330	0.000	1	124.1330	0.000	1	124.1330	0.000	1	124.1330	0.000	1	124.1330	0.000	1	124.1330	0.000	1
893	538	538	0:SP3_SPD5_SPD5	O	Ge[5,3x6]	Ge[5,3x6]	5:5:	3:3:3:3:2:	3:3:3:3:2:	Ge[5,3x6]-5:Ge[5,3x6]-5:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	O(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OGe[5,3x6])	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OGe[5,3x6])	O(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)2	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OGe[5,3x6]){11|C<3>}	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OGe[5,3x6]){11|C<3>}	157.6150	0.000	1	157.6150	0.000	1	157.6150	0.000	1	157.6150	0.000	1	157.6150	0.000	1	157.6150	0.000	1
893	538	951	0:SP3_SP-NON_SPD5	O	Ge[5,3x6]	H	5:1:	3:3:3:3:2:	2:	Ge[5,3x6]-5:H-1:	N[5,5a,6]-3:N[5,5a,6]-3:N[5a,6,6]-3:N[5a,6,6]-3:O-2:	O-2:	O(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(H)	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OH)	H(OGe[5,3x6])	O(Ge[5,3x6]N[5,5a,6]2N[5a,6,6]2)(H)	Ge[5,3x6](N[5,5a,6]C[5,5a]C[5a,6])2(N[5a,6,6]C[5a,6]2)2(OH){11|C<3>}	H(OGe[5,3x6])	106.2375	3.924	2	106.2375	15.396	2	106.2375	15.396	2	106.2375	15.396	2	106.2375	15.396	2	106.2375	15.396	2
893	542	643	0:SP2_SP2_SP2	O	N[5]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:N[5]-3:	C[5]-3:C[5]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(OC[6a])	C[6a](C[6a]C[6a]F)2(ON[5])	O(C[6a]C[6a]2)(N[5]C[5]2)	N[5](C[5]C[5,5,6]O)2(OC[6a]){2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]F)2(ON[5]){1|N<2>,2|F<1>}	112.6600	0.000	1	112.6600	0.000	1	112.6600	0.000	1	112.6600	0.000	1	112.6600	0.000	1	112.6600	0.000	1
893	542	880	0:SP3_SP3_SP3	O	N[5]	Si	3:4:	4:4:2:	2:4:4:4:	N[5]-3:Si-4:	C[5]-4:C[5]-4:O-2:	O-2:C-4:C-4:C-4:	O(N[5]C[5]2)(SiC3)	N[5](C[5]C[5a]N[5]H)(C[5]C[5]CC)(OSi)	Si(ON[5])(CC3)(CH3)2	O(N[5]C[5]2)(SiC3)	N[5](C[5]C[5a]N[5]H)(C[5]C[5]CC)(OSi){1|C<3>,1|O<2>,1|S<2>,2|C<4>}	Si(ON[5])(CC3)(CH3)2	113.6140	4.569	2	113.6140	20.879	2	113.9975	9.001	10	113.9975	9.001	10	113.9975	9.001	10	113.9975	9.001	10
893	542	880	0:SP3_SP3_SP3	O	N[5]	Si	3:4:	4:4:2:	2:4:4:4:	N[5]-3:Si-4:	C[5]-4:C[5]-4:O-2:	O-2:C-4:C-4:C-4:	O(N[5]C[5]2)(SiC3)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(OSi)	Si(ON[5])(CC3)(CH3)2	O(N[5]C[5]2)(SiC3)	N[5](C[5]C[6a]N[5]H)(C[5]C[5]CC)(OSi){1|O<2>,2|C<3>,2|C<4>}	Si(ON[5])(CC3)(CH3)2	114.0934	2.922	8	114.0934	8.537	8	113.9975	9.001	10	113.9975	9.001	10	113.9975	9.001	10	113.9975	9.001	10
893	542	930	0:SP2_SP2_SP2	O	N[5]	C	3:3:	3:3:2:	2:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:O-2:	O-2:O-2:O-1:	O(N[5]C[5]2)(COO)	N[5](C[5]C[5,6a]O)2(OC)	C(ON[5])(OC)(O)	O(N[5]C[5]2)(COO)	N[5](C[5]C[5,6a]O)2(OC){2|C<3>}	C(ON[5])(OC)(O)	110.8630	0.660	2	110.8630	0.436	2	111.0745	1.140	6	111.0745	1.140	6	111.8150	0.760	24	111.8150	0.760	24
893	542	930	0:SP2_SP2_SP2	O	N[5]	C	3:3:	3:3:2:	2:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:O-2:	O-2:O-2:O-1:	O(N[5]C[5]2)(COO)	N[5](C[5]C[5]O)2(OC)	C(OC[6])(ON[5])(O)	O(N[5]C[5]2)(COO)	N[5](C[5]C[5]O)2(OC){4|H<1>}	C(OC[6])(ON[5])(O)	112.1260	0.000	1	112.1260	0.000	1	111.0745	1.140	6	111.0745	1.140	6	111.8150	0.760	24	111.8150	0.760	24
893	542	930	0:SP2_SP2_SP2	O	N[5]	C	3:3:	3:3:2:	2:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:O-2:	O-2:O-2:O-1:	O(N[5]C[5]2)(COO)	N[5](C[5]C[5]O)2(OC)	C(ON[5])(OC)(O)	O(N[5]C[5]2)(COO)	N[5](C[5]C[5]O)2(OC){4|H<1>}	C(ON[5])(OC)(O)	111.6590	0.393	2	111.6590	0.155	2	111.0745	1.140	6	111.0745	1.140	6	111.8150	0.760	24	111.8150	0.760	24
893	542	930	0:SP2_SP2_SP2	O	N[5]	C	3:3:	3:3:2:	2:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:O-2:	O-2:O-2:O-1:	O(N[5]C[5]2)(COO)	N[5](C[5]C[5]O)2(OC)	C(ON[5])2(O)	O(N[5]C[5]2)(COO)	N[5](C[5]C[5]O)2(OC){4|H<1>}	C(ON[5])2(O)	109.2770	0.000	1	109.2770	0.000	1	111.0745	1.140	6	111.0745	1.140	6	111.8150	0.760	24	111.8150	0.760	24
893	542	930	0:SP2_SP2_SP2	O	N[5]	C	3:3:	3:3:2:	2:3:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:O-2:	O-2:C-3:O-1:	O(N[5]C[5]2)(CCO)	N[5](C[5]C[5,6a]O)2(OC)	C(ON[5])(COO)(O)	O(N[5]C[5]2)(CCO)	N[5](C[5]C[5,6a]O)2(OC){2|C<3>}	C(ON[5])(COO)(O)	112.1765	0.291	2	112.1765	0.084	2	112.0722	0.182	4	111.9142	0.262	5	111.8150	0.760	24	111.8150	0.760	24
893	542	930	0:SP2_SP2_SP2	O	N[5]	C	3:3:	3:3:2:	2:3:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:O-2:	O-2:C-3:O-1:	O(N[5]C[5]2)(CCO)	N[5](C[5]C[5]O)2(OC)	C(ON[5])(CCC)(O)	O(N[5]C[5]2)(CCO)	N[5](C[5]C[5]O)2(OC){4|H<1>}	C(ON[5])(CCC)(O)	111.5100	0.000	1	111.5100	0.000	1	112.0722	0.182	4	111.9142	0.262	5	111.8150	0.760	24	111.8150	0.760	24
893	542	930	0:SP2_SP2_SP2	O	N[5]	C	3:3:	3:3:2:	2:3:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:O-2:	O-2:C-3:O-1:	O(N[5]C[5]2)(CCO)	N[5](C[5]C[5]O)2(OC)	C(ON[5])(CCH)(O)	O(N[5]C[5]2)(CCO)	N[5](C[5]C[5]O)2(OC){4|H<1>}	C(ON[5])(CCH)(O)	112.4260	0.000	1	112.4260	0.000	1	112.0722	0.182	4	111.9142	0.262	5	111.8150	0.760	24	111.8150	0.760	24
893	542	930	0:SP2_SP2_SP2	O	N[5]	C	3:3:	3:3:2:	2:3:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:O-2:	O-2:N-3:O-1:	O(N[5]C[5]2)(CNO)	N[5](C[5]C[5]O)2(OC)	C(ON[5])(NCH)(O)	O(N[5]C[5]2)(CNO)	N[5](C[5]C[5]O)2(OC){4|H<1>}	C(ON[5])(NCH)(O)	111.2820	0.000	1	111.2820	0.000	1	111.2820	0.000	1	111.9142	0.262	5	111.8150	0.760	24	111.8150	0.760	24
893	542	930	0:SP2_SP2_SP2	O	N[5]	C	3:3:	3:3:2:	2:4:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:O-2:	O-2:C-4:O-1:	O(N[5]C[5]2)(CCO)	N[5](C[5]C[5,6a]O)2(OC)	C(ON[5])(CCCH)(O)	O(N[5]C[5]2)(CCO)	N[5](C[5]C[5,6a]O)2(OC){2|C<3>}	C(ON[5])(CCCH)(O)	111.6400	0.000	1	111.6400	0.000	1	112.0040	0.099	3	112.0040	0.099	3	111.8150	0.760	24	111.8150	0.760	24
893	542	930	0:SP2_SP2_SP2	O	N[5]	C	3:3:	3:3:2:	2:4:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:O-2:	O-2:C-4:O-1:	O(N[5]C[5]2)(CCO)	N[5](C[5]C[5]O)2(OC)	C(ON[5])(CCCN)(O)	O(N[5]C[5]2)(CCO)	N[5](C[5]C[5]O)2(OC){4|H<1>}	C(ON[5])(CCCN)(O)	112.1960	0.000	1	112.1960	0.000	1	112.0040	0.099	3	112.0040	0.099	3	111.8150	0.760	24	111.8150	0.760	24
893	542	930	0:SP2_SP2_SP2	O	N[5]	C	3:3:	3:3:2:	2:4:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:O-2:	O-2:C-4:O-1:	O(N[5]C[5]2)(CCO)	N[5](C[5]C[5]O)2(OC)	C(ON[5])(CCHH)(O)	O(N[5]C[5]2)(CCO)	N[5](C[5]C[5]O)2(OC){4|H<1>}	C(ON[5])(CCHH)(O)	112.1760	0.000	1	112.1760	0.000	1	112.0040	0.099	3	112.0040	0.099	3	111.8150	0.760	24	111.8150	0.760	24
893	542	930	0:SP2_SP2_SP2	O	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:O-2:	C[6a]-3:O-2:O-1:	O(N[5]C[5]2)(CC[6a]O)	N[5](C[5]C[5]C)(C[5]S[5]S)(OC)	C(C[6a]C[6a]2)(ON[5])(O)	O(N[5]C[5]2)(CC[6a]O)	N[5](C[5]C[5]C)(C[5]S[5]S)(OC){1|C<3>}	C(C[6a]C[6a]2)(ON[5])(O)	110.9910	0.000	1	110.9910	0.000	1	111.9160	1.138	5	111.9160	1.138	5	111.8150	0.760	24	111.8150	0.760	24
893	542	930	0:SP2_SP2_SP2	O	N[5]	C	3:3:	3:3:2:	3:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:O-2:	C[6a]-3:O-2:O-1:	O(N[5]C[5]2)(CC[6a]O)	N[5](C[5]C[5]O)2(OC)	C(C[6a]C[6a]2)(ON[5])(O)	O(N[5]C[5]2)(CC[6a]O)	N[5](C[5]C[5]O)2(OC){4|H<1>}	C(C[6a]C[6a]2)(ON[5])(O)	112.1472	1.078	4	112.1472	1.161	4	111.9160	1.138	5	111.9160	1.138	5	111.8150	0.760	24	111.8150	0.760	24
893	542	930	0:SP2_SP2_SP2	O	N[5]	C	3:3:	3:3:2:	4:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:O-2:	C[3]-4:O-2:O-1:	O(N[5]C[5]2)(CC[3]O)	N[5](C[5]C[5,6a]O)2(OC)	C(C[3]C[6a]C[3]2)(ON[5])(O)	O(N[5]C[5]2)(CC[3]O)	N[5](C[5]C[5,6a]O)2(OC){2|C<3>}	C(C[3]C[6a]C[3]2)(ON[5])(O)	112.3030	0.000	1	112.3030	0.000	1	112.6895	0.299	2	112.3900	0.205	5	111.8150	0.760	24	111.8150	0.760	24
893	542	930	0:SP2_SP2_SP2	O	N[5]	C	3:3:	3:3:2:	4:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:O-2:	C[3]-4:O-2:O-1:	O(N[5]C[5]2)(CC[3]O)	N[5](C[5]C[5]O)2(OC)	C(C[3]C[3]2H)(ON[5])(O)	O(N[5]C[5]2)(CC[3]O)	N[5](C[5]C[5]O)2(OC){4|H<1>}	C(C[3]C[3]2H)(ON[5])(O)	113.0760	0.000	1	113.0760	0.000	1	112.6895	0.299	2	112.3900	0.205	5	111.8150	0.760	24	111.8150	0.760	24
893	542	930	0:SP2_SP2_SP2	O	N[5]	C	3:3:	3:3:2:	4:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:O-2:	C[3x6]-4:O-2:O-1:	O(N[5]C[5]2)(CC[3x6]O)	N[5](C[5]C[5]O)2(OC)	C(C[3x6]C[6,6]3)(ON[5])(O)	O(N[5]C[5]2)(CC[3x6]O)	N[5](C[5]C[5]O)2(OC){4|H<1>}	C(C[3x6]C[6,6]3)(ON[5])(O)	111.8690	0.000	1	111.8690	0.000	1	111.8690	0.000	1	112.3900	0.205	5	111.8150	0.760	24	111.8150	0.760	24
893	542	930	0:SP2_SP2_SP2	O	N[5]	C	3:3:	3:3:2:	4:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:O-2:	C[5]-4:O-2:O-1:	O(N[5]C[5]2)(CC[5]O)	N[5](C[5]C[5]O)2(OC)	C(C[5]C[5]2Fe)(ON[5])(O)	O(N[5]C[5]2)(CC[5]O)	N[5](C[5]C[5]O)2(OC){4|H<1>}	C(C[5]C[5]2Fe)(ON[5])(O)	112.1680	0.000	1	112.1680	0.000	1	112.1680	0.000	1	112.3900	0.205	5	111.8150	0.760	24	111.8150	0.760	24
893	542	930	0:SP2_SP2_SP2	O	N[5]	C	3:3:	3:3:2:	4:2:1:	N[5]-3:C-3:	C[5]-3:C[5]-3:O-2:	C[6]-4:O-2:O-1:	O(N[5]C[5]2)(CC[6]O)	N[5](C[5]C[5]O)2(OC)	C(C[6]C[6]2H)(ON[5])(O)	O(N[5]C[5]2)(CC[6]O)	N[5](C[5]C[5]O)2(OC){4|H<1>}	C(C[6]C[6]2H)(ON[5])(O)	112.5340	0.000	1	112.5340	0.000	1	112.5340	0.000	1	112.3900	0.205	5	111.8150	0.760	24	111.8150	0.760	24
893	542	930	0:SP2_SP2_SP3	O	N[5]	C	3:3:	4:4:2:	2:4:1:	N[5]-3:C-3:	C[5]-4:C[5]-4:O-2:	O-2:C-4:O-1:	O(N[5]C[5]2)(CCO)	N[5](C[5]C[5]CC)2(OC)	C(ON[5])(CH3)(O)	O(N[5]C[5]2)(CCO)	N[5](C[5]C[5]CC)2(OC){1|C<3>,3|H<1>}	C(ON[5])(CH3)(O)	114.5320	0.000	1	114.5320	0.000	1	114.1355	0.314	2	114.1355	0.314	2	114.1503	0.158	3	114.1503	0.158	3
893	542	930	0:SP2_SP2_SP3	O	N[5]	C	3:3:	4:4:2:	2:4:1:	N[5]-3:C-3:	C[5]-4:C[5]-4:O-2:	O-2:C-4:O-1:	O(N[5]C[5]2)(CCO)	N[5](C[5]C[5]HH)(C[5]N[5]CC)(OC)	C(ON[5])(CCHN)(O)	O(N[5]C[5]2)(CCO)	N[5](C[5]C[5]HH)(C[5]N[5]CC)(OC){1|C<4>,1|O<1>}	C(ON[5])(CCHN)(O)	113.7390	0.000	1	113.7390	0.000	1	114.1355	0.314	2	114.1355	0.314	2	114.1503	0.158	3	114.1503	0.158	3
893	542	930	0:SP2_SP2_SP3	O	N[5]	C	3:3:	4:4:2:	3:2:3:	N[5]-3:C-3:	C[5]-4:C[5]-4:O-2:	C[6a]-3:O-2:C-3:	O(N[5]C[5]2)(CC[6a]C)	N[5](C[5]C[5,6a]CC)2(OC)	C(C[6a]C[6a]2)(ON[5])(CHP)	O(N[5]C[5]2)(CC[6a]C)	N[5](C[5]C[5,6a]CC)2(OC){2|C<3>}	C(C[6a]C[6a]2)(ON[5])(CHP)	114.1800	0.000	1	114.1800	0.000	1	114.1800	0.000	1	114.1800	0.000	1	114.1503	0.158	3	114.1503	0.158	3
893	542	951	0:SP3_SP-NON_SP2	O	N[5]	H	3:1:	3:3:2:	2:	N[5]-3:H-1:	C[5,6a]-3:C[5]-3:O-2:	O-2:	O(N[5]C[5,6a]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OH)	H(ON[5])	O(N[5]C[5,6a]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]O)(OH){1|H<1>,3|C<3>}	H(ON[5])	109.4285	0.095	2	109.4285	0.009	2	109.4285	0.009	2	105.7909	12.585	17	106.9365	10.964	29	106.9365	10.964	29
893	542	951	0:SP3_SP-NON_SP2	O	N[5]	H	3:1:	3:3:2:	2:	N[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	O-2:	O(N[5]C[5]2)(H)	N[5](C[5]C[5,6,6]O)2(OH)	H(ON[5])	O(N[5]C[5]2)(H)	N[5](C[5]C[5,6,6]O)2(OH){2|C<4>,2|H<1>}	H(ON[5])	100.7220	0.000	1	100.7220	0.000	1	105.3058	12.240	15	105.7909	12.585	17	106.9365	10.964	29	106.9365	10.964	29
893	542	951	0:SP3_SP-NON_SP2	O	N[5]	H	3:1:	3:3:2:	2:	N[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	O-2:	O(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(OH)	H(ON[5])	O(N[5]C[5]2)(H)	N[5](C[5]C[5,6a]O)2(OH){2|C<3>}	H(ON[5])	109.4670	0.038	2	109.4670	0.001	2	105.3058	12.240	15	105.7909	12.585	17	106.9365	10.964	29	106.9365	10.964	29
893	542	951	0:SP3_SP-NON_SP2	O	N[5]	H	3:1:	3:3:2:	2:	N[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	O-2:	O(N[5]C[5]2)(H)	N[5](C[5]C[5]C)(C[5]N[5]C)(OH)	H(ON[5])	O(N[5]C[5]2)(H)	N[5](C[5]C[5]C)(C[5]N[5]C)(OH){1|C<4>,1|H<1>}	H(ON[5])	106.3835	4.304	2	106.3835	18.526	2	105.3058	12.240	15	105.7909	12.585	17	106.9365	10.964	29	106.9365	10.964	29
893	542	951	0:SP3_SP-NON_SP2	O	N[5]	H	3:1:	3:3:2:	2:	N[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	O-2:	O(N[5]C[5]2)(H)	N[5](C[5]C[5]C)(C[5]S[5]S)(OH)	H(ON[5])	O(N[5]C[5]2)(H)	N[5](C[5]C[5]C)(C[5]S[5]S)(OH){1|C<4>}	H(ON[5])	104.8050	0.000	1	104.8050	0.000	1	105.3058	12.240	15	105.7909	12.585	17	106.9365	10.964	29	106.9365	10.964	29
893	542	951	0:SP3_SP-NON_SP2	O	N[5]	H	3:1:	3:3:2:	2:	N[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	O-2:	O(N[5]C[5]2)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(OH)	H(ON[5])	O(N[5]C[5]2)(H)	N[5](C[5]C[5]H)(C[5]N[5]H)(OH){2|H<1>}	H(ON[5])	103.6520	1.271	2	103.6520	1.616	2	105.3058	12.240	15	105.7909	12.585	17	106.9365	10.964	29	106.9365	10.964	29
893	542	951	0:SP3_SP-NON_SP2	O	N[5]	H	3:1:	3:3:2:	2:	N[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	O-2:	O(N[5]C[5]2)(H)	N[5](C[5]C[5]O)2(OH)	H(ON[5])	O(N[5]C[5]2)(H)	N[5](C[5]C[5]O)2(OH){1|N<3>,3|H<1>}	H(ON[5])	105.1900	3.659	2	103.4211	10.603	5	105.3058	12.240	15	105.7909	12.585	17	106.9365	10.964	29	106.9365	10.964	29
893	542	951	0:SP3_SP-NON_SP2	O	N[5]	H	3:1:	3:3:2:	2:	N[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	O-2:	O(N[5]C[5]2)(H)	N[5](C[5]C[5]O)2(OH)	H(ON[5])	O(N[5]C[5]2)(H)	N[5](C[5]C[5]O)2(OH){4|H<1>}	H(ON[5])	102.2419	3.049	3	103.4211	10.603	5	105.3058	12.240	15	105.7909	12.585	17	106.9365	10.964	29	106.9365	10.964	29
893	542	951	0:SP3_SP-NON_SP2	O	N[5]	H	3:1:	3:3:2:	2:	N[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	O-2:	O(N[5]C[5]2)(H)	N[5](C[5]C[5a]C[5])(C[5]N[5]C)(OH)	H(ON[5])	O(N[5]C[5]2)(H)	N[5](C[5]C[5a]C[5])(C[5]N[5]C)(OH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	H(ON[5])	108.5110	0.000	1	108.5110	0.000	1	105.3058	12.240	15	105.7909	12.585	17	106.9365	10.964	29	106.9365	10.964	29
893	542	951	0:SP3_SP-NON_SP2	O	N[5]	H	3:1:	3:3:2:	2:	N[5]-3:H-1:	C[5]-3:C[5]-3:O-2:	O-2:	O(N[5]C[5]2)(H)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(OH)	H(ON[5])	O(N[5]C[5]2)(H)	N[5](C[5]C[6a]C[5])(C[5]S[5]N)(OH){1|H<1>,2|C<3>}	H(ON[5])	109.4390	0.000	1	109.4390	0.000	1	105.3058	12.240	15	105.7909	12.585	17	106.9365	10.964	29	106.9365	10.964	29
893	542	951	0:SP3_SP-NON_SP2	O	N[5]	H	3:1:	3:4:2:	2:	N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:O-2:	O-2:	O(N[5]C[5,6a]C[5,5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(OH)	H(ON[5])	O(N[5]C[5,6a]C[5,5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(ON[5])	109.4547	0.025	3	109.4547	0.001	3	109.4547	0.001	3	109.4547	0.001	3	106.9365	10.964	29	106.9365	10.964	29
893	542	951	0:SP3_SP-NON_SP2	O	N[5]	H	3:1:	4:3:2:	2:	N[5]-3:H-1:	C[5,5]-4:C[5]-3:O-2:	O-2:	O(N[5]C[5,5]C[5])(H)	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]O)(OH)	H(ON[5])	O(N[5]C[5,5]C[5])(H)	N[5](C[5,5]C[5,6a]C[5]O[5])(C[5]C[5]O)(OH){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	H(ON[5])	109.5170	0.000	1	109.5170	0.000	1	109.5170	0.000	1	109.4497	0.011	6	106.9365	10.964	29	106.9365	10.964	29
893	542	951	0:SP3_SP-NON_SP2	O	N[5]	H	3:1:	4:3:2:	2:	N[5]-3:H-1:	C[5]-4:C[5]-3:O-2:	O-2:	O(N[5]C[5]2)(H)	N[5](C[5]C[5]CC)(C[5]C[5]O)(OH)	H(ON[5])	O(N[5]C[5]2)(H)	N[5](C[5]C[5]CC)(C[5]C[5]O)(OH){1|C<4>,3|H<1>}	H(ON[5])	109.4770	0.031	2	109.4770	0.001	2	109.4362	0.013	5	109.4497	0.011	6	106.9365	10.964	29	106.9365	10.964	29
893	542	951	0:SP3_SP-NON_SP2	O	N[5]	H	3:1:	4:3:2:	2:	N[5]-3:H-1:	C[5]-4:C[5]-3:O-2:	O-2:	O(N[5]C[5]2)(H)	N[5](C[5]C[5]CC)(C[5]N[5]C)(OH)	H(ON[5])	O(N[5]C[5]2)(H)	N[5](C[5]C[5]CC)(C[5]N[5]C)(OH){2|C<4>}	H(ON[5])	109.2360	0.000	1	109.2360	0.000	1	109.4362	0.013	5	109.4497	0.011	6	106.9365	10.964	29	106.9365	10.964	29
893	542	951	0:SP3_SP-NON_SP2	O	N[5]	H	3:1:	4:3:2:	2:	N[5]-3:H-1:	C[5]-4:C[5]-3:O-2:	O-2:	O(N[5]C[5]2)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(OH)	H(ON[5])	O(N[5]C[5]2)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(OH){1|O<2>,2|H<1>}	H(ON[5])	109.5000	0.000	1	109.5000	0.000	1	109.4362	0.013	5	109.4497	0.011	6	106.9365	10.964	29	106.9365	10.964	29
893	542	951	0:SP3_SP-NON_SP2	O	N[5]	H	3:1:	4:3:2:	2:	N[5]-3:H-1:	C[5]-4:C[5]-3:O-2:	O-2:	O(N[5]C[5]2)(H)	N[5](C[5]C[5]HH)(C[5]N[5]O)(OH)	H(ON[5])	O(N[5]C[5]2)(H)	N[5](C[5]C[5]HH)(C[5]N[5]O)(OH){1|C<4>,1|H<1>,1|O<2>}	H(ON[5])	109.4910	0.000	1	109.4910	0.000	1	109.4362	0.013	5	109.4497	0.011	6	106.9365	10.964	29	106.9365	10.964	29
893	542	951	0:SP3_SP-NON_SP2	O	N[5]	H	3:1:	4:4:2:	2:	N[5]-3:H-1:	B[5]-4:P[5]-4:O-2:	O-2:	O(N[5]B[5]P[5])(H)	N[5](B[5]C[5,5,6]C[6a]2)(P[5]C[5,5,6]C[6a]2)(OH)	H(ON[5])	O(N[5]B[5]P[5])(H)	N[5](B[5]C[5,5,6]C[6a]2)(P[5]C[5,5,6]C[6a]2)(OH){2|C<4>,2|H<1>,8|C<3>}	H(ON[5])	102.6860	0.000	1	102.6860	0.000	1	105.8843	11.508	3	105.8843	11.508	3	106.9365	10.964	29	106.9365	10.964	29
893	542	951	0:SP3_SP-NON_SP2	O	N[5]	H	3:1:	4:4:2:	2:	N[5]-3:H-1:	B[5]-4:P[5]-4:O-2:	O-2:	O(N[5]B[5]P[5])(H)	N[5](B[5]C[5,6]C[6a]2)(P[5]C[5,6]C[6a]2)(OH)	H(ON[5])	O(N[5]B[5]P[5])(H)	N[5](B[5]C[5,6]C[6a]2)(P[5]C[5,6]C[6a]2)(OH){10|C<3>}	H(ON[5])	105.5250	0.000	1	105.5250	0.000	1	105.8843	11.508	3	105.8843	11.508	3	106.9365	10.964	29	106.9365	10.964	29
893	542	951	0:SP3_SP-NON_SP2	O	N[5]	H	3:1:	4:4:2:	2:	N[5]-3:H-1:	B[5]-4:P[5]-4:O-2:	O-2:	O(N[5]B[5]P[5])(H)	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(OH)	H(ON[5])	O(N[5]B[5]P[5])(H)	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(OH){3|H<1>,9|C<3>}	H(ON[5])	109.4420	0.000	1	109.4420	0.000	1	105.8843	11.508	3	105.8843	11.508	3	106.9365	10.964	29	106.9365	10.964	29
893	542	951	0:SP3_SP-NON_SP3	O	N[5]	H	3:1:	3:4:2:	2:	N[5]-3:H-1:	C[5,6a]-3:C[5,5]-4:O-2:	O-2:	O(N[5]C[5,6a]C[5,5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(OH)	H(ON[5])	O(N[5]C[5,6a]C[5,5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5,5]C[5,5]C[5]O)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	H(ON[5])	109.4360	0.000	1	109.4360	0.000	1	109.4360	0.000	1	106.0975	16.481	4	106.3200	32.051	23	106.3200	32.051	23
893	542	951	0:SP3_SP-NON_SP3	O	N[5]	H	3:1:	3:4:2:	2:	N[5]-3:H-1:	C[5,6a]-3:C[5]-4:O-2:	O-2:	O(N[5]C[5,6a]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(OH)	H(ON[5])	O(N[5]C[5,6a]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5a]C[5]H)(OH){1|H<1>,1|S<2>,5|C<3>}	H(ON[5])	109.4830	0.000	1	109.4830	0.000	1	104.9847	17.292	3	106.0975	16.481	4	106.3200	32.051	23	106.3200	32.051	23
893	542	951	0:SP3_SP-NON_SP3	O	N[5]	H	3:1:	3:4:2:	2:	N[5]-3:H-1:	C[5,6a]-3:C[5]-4:O-2:	O-2:	O(N[5]C[5,6a]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(OH)	H(ON[5])	O(N[5]C[5,6a]C[5])(H)	N[5](C[5,6a]C[5,6a]C[6a])(C[5]C[6a]C[5]H)(OH){1|H<1>,6|C<3>}	H(ON[5])	102.7355	2.057	2	102.7355	4.231	2	104.9847	17.292	3	106.0975	16.481	4	106.3200	32.051	23	106.3200	32.051	23
893	542	951	0:SP3_SP-NON_SP3	O	N[5]	H	3:1:	4:3:2:	2:	N[5]-3:H-1:	C[5]-4:C[5]-3:O-2:	O-2:	O(N[5]C[5]2)(H)	N[5](C[5]C[5]CC)(C[5]N[5]O)(OH)	H(ON[5])	O(N[5]C[5]2)(H)	N[5](C[5]C[5]CC)(C[5]N[5]O)(OH){1|C<4>,1|O<1>}	H(ON[5])	98.6710	0.000	1	98.6710	0.000	1	104.2447	29.260	3	104.2447	29.260	3	106.3200	32.051	23	106.3200	32.051	23
893	542	951	0:SP3_SP-NON_SP3	O	N[5]	H	3:1:	4:3:2:	2:	N[5]-3:H-1:	C[5]-4:C[5]-3:O-2:	O-2:	O(N[5]C[5]2)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(OH)	H(ON[5])	O(N[5]C[5]2)(H)	N[5](C[5]C[5]CH)(C[5]N[5]O)(OH){1|O<2>,2|H<1>}	H(ON[5])	109.4730	0.000	1	109.4730	0.000	1	104.2447	29.260	3	104.2447	29.260	3	106.3200	32.051	23	106.3200	32.051	23
893	542	951	0:SP3_SP-NON_SP3	O	N[5]	H	3:1:	4:3:2:	2:	N[5]-3:H-1:	C[5]-4:C[5]-3:O-2:	O-2:	O(N[5]C[5]2)(H)	N[5](C[5]C[6a]N[5]C)(C[5]C[5]O)(OH)	H(ON[5])	O(N[5]C[5]2)(H)	N[5](C[5]C[6a]N[5]C)(C[5]C[5]O)(OH){1|C<3>,1|N<2>,3|H<1>}	H(ON[5])	104.5900	0.000	1	104.5900	0.000	1	104.2447	29.260	3	104.2447	29.260	3	106.3200	32.051	23	106.3200	32.051	23
893	542	951	0:SP3_SP-NON_SP3	O	N[5]	H	3:1:	4:4:2:	2:	N[5]-3:H-1:	B[5]-4:P[5]-4:O-2:	O-2:	O(N[5]B[5]P[5])(H)	N[5](B[5]C[5,6]C[6a]2)(P[5]C[5,6]C[6a]2)(OH)	H(ON[5])	O(N[5]B[5]P[5])(H)	N[5](B[5]C[5,6]C[6a]2)(P[5]C[5,6]C[6a]2)(OH){2|C<4>,2|H<1>,8|C<3>}	H(ON[5])	104.6290	0.000	1	104.6290	0.000	1	102.5173	94.459	5	106.7647	38.725	16	106.3200	32.051	23	106.3200	32.051	23
893	542	951	0:SP3_SP-NON_SP3	O	N[5]	H	3:1:	4:4:2:	2:	N[5]-3:H-1:	B[5]-4:P[5]-4:O-2:	O-2:	O(N[5]B[5]P[5])(H)	N[5](B[5]C[5,6a]C[6a]2)(P[5]C[5,6a]C[6a]2)(OH)	H(ON[5])	O(N[5]B[5]P[5])(H)	N[5](B[5]C[5,6a]C[6a]2)(P[5]C[5,6a]C[6a]2)(OH){10|C<3>}	H(ON[5])	109.4290	0.000	1	109.4290	0.000	1	102.5173	94.459	5	106.7647	38.725	16	106.3200	32.051	23	106.3200	32.051	23
893	542	951	0:SP3_SP-NON_SP3	O	N[5]	H	3:1:	4:4:2:	2:	N[5]-3:H-1:	B[5]-4:P[5]-4:O-2:	O-2:	O(N[5]B[5]P[5])(H)	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(OH)	H(ON[5])	O(N[5]B[5]P[5])(H)	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(OH){1|Si<4>,1|C<4>,8|C<3>}	H(ON[5])	94.5512	12.286	2	99.5095	149.231	3	102.5173	94.459	5	106.7647	38.725	16	106.3200	32.051	23	106.3200	32.051	23
893	542	951	0:SP3_SP-NON_SP3	O	N[5]	H	3:1:	4:4:2:	2:	N[5]-3:H-1:	B[5]-4:P[5]-4:O-2:	O-2:	O(N[5]B[5]P[5])(H)	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(OH)	H(ON[5])	O(N[5]B[5]P[5])(H)	N[5](B[5]C[6a]2C[5])(P[5]C[6a]2C[5])(OH){1|Si<4>,3|H<1>,8|C<3>}	H(ON[5])	109.4260	0.000	1	99.5095	149.231	3	102.5173	94.459	5	106.7647	38.725	16	106.3200	32.051	23	106.3200	32.051	23
893	542	951	0:SP3_SP-NON_SP3	O	N[5]	H	3:1:	4:4:2:	2:	N[5]-3:H-1:	C[5,5]-4:C[5]-4:O-2:	O-2:	O(N[5]C[5,5]C[5])(H)	N[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]CC)(OH)	H(ON[5])	O(N[5]C[5,5]C[5])(H)	N[5](C[5,5]C[5,5]N[5,5]H)(C[5]C[5]CC)(OH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	H(ON[5])	109.5190	0.000	1	109.5190	0.000	1	109.5190	0.000	1	106.7647	38.725	16	106.3200	32.051	23	106.3200	32.051	23
893	542	951	0:SP3_SP-NON_SP3	O	N[5]	H	3:1:	4:4:2:	2:	N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:	O-2:	O(N[5]C[5]2)(H)	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH)	H(ON[5])	O(N[5]C[5]2)(H)	N[5](C[5]C[5,5]CH)(C[5]C[5,5]HH)(OH){2|H<1>,2|O<2>}	H(ON[5])	109.5238	0.034	5	109.5238	0.001	5	108.5164	8.781	9	106.7647	38.725	16	106.3200	32.051	23	106.3200	32.051	23
893	542	951	0:SP3_SP-NON_SP3	O	N[5]	H	3:1:	4:4:2:	2:	N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:	O-2:	O(N[5]C[5]2)(H)	N[5](C[5]C[5]CP)(C[5]C[5]HH)(OH)	H(ON[5])	O(N[5]C[5]2)(H)	N[5](C[5]C[5]CP)(C[5]C[5]HH)(OH){4|H<1>}	H(ON[5])	100.6150	0.000	1	100.6150	0.000	1	108.5164	8.781	9	106.7647	38.725	16	106.3200	32.051	23	106.3200	32.051	23
893	542	951	0:SP3_SP-NON_SP3	O	N[5]	H	3:1:	4:4:2:	2:	N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:	O-2:	O(N[5]C[5]2)(H)	N[5](C[5]C[5a]N[5]H)(C[5]C[5]CC)(OH)	H(ON[5])	O(N[5]C[5]2)(H)	N[5](C[5]C[5a]N[5]H)(C[5]C[5]CC)(OH){1|N<2>,1|O<2>,1|S<2>,2|C<4>}	H(ON[5])	109.4680	0.038	2	109.4680	0.001	2	108.5164	8.781	9	106.7647	38.725	16	106.3200	32.051	23	106.3200	32.051	23
893	542	951	0:SP3_SP-NON_SP3	O	N[5]	H	3:1:	4:4:2:	2:	N[5]-3:H-1:	C[5]-4:C[5]-4:O-2:	O-2:	O(N[5]C[5]2)(H)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(OH)	H(ON[5])	O(N[5]C[5]2)(H)	N[5](C[5]C[6a]C[5]C)(C[5]N[5]CC)(OH){1|C<4>,1|O<1>,2|C<3>}	H(ON[5])	109.4780	0.000	1	109.4780	0.000	1	108.5164	8.781	9	106.7647	38.725	16	106.3200	32.051	23	106.3200	32.051	23
893	542	951	0:SP3_SP-NON_SP3	O	N[5]	H	3:1:	4:4:2:	2:	N[5]-3:H-1:	S[5]-4:S[5]-4:O-2:	O-2:	O(N[5]S[5]2)(H)	N[5](S[5]C[5,6a]OO)2(OH)	H(ON[5])	O(N[5]S[5]2)(H)	N[5](S[5]C[5,6a]OO)2(OH){2|C<3>}	H(ON[5])	109.4820	0.000	1	109.4820	0.000	1	109.4820	0.000	1	106.7647	38.725	16	106.3200	32.051	23	106.3200	32.051	23
893	542	952	0:SP3_SP2_SP3	O	N[5]	S	3:4:	3:3:2:	3:2:1:1:	N[5]-3:S-4:	C[5]-3:C[5]-3:O-2:	C[6a]-3:O-2:O-1:O-1:	O(N[5]C[5]2)(SC[6a]OO)	N[5](C[5]C[5,6a]O)2(OS)	S(C[6a]C[6a]2)(ON[5])(O)2	O(N[5]C[5]2)(SC[6a]OO)	N[5](C[5]C[5,6a]O)2(OS){2|C<3>}	S(C[6a]C[6a]2)(ON[5])(O)2	112.9970	0.000	1	112.9970	0.000	1	113.3270	4.441	3	113.3270	4.441	3	113.3270	4.441	3	113.3270	4.441	3
893	542	952	0:SP3_SP2_SP3	O	N[5]	S	3:4:	3:3:2:	3:2:1:1:	N[5]-3:S-4:	C[5]-3:C[5]-3:O-2:	C[6a]-3:O-2:O-1:O-1:	O(N[5]C[5]2)(SC[6a]OO)	N[5](C[5]C[5]O)2(OS)	S(C[6a]C[6a]2)(ON[5])(O)2	O(N[5]C[5]2)(SC[6a]OO)	N[5](C[5]C[5]O)2(OS){1|N<3>,3|H<1>}	S(C[6a]C[6a]2)(ON[5])(O)2	111.4040	0.000	1	113.4920	8.719	2	113.3270	4.441	3	113.3270	4.441	3	113.3270	4.441	3	113.3270	4.441	3
893	542	952	0:SP3_SP2_SP3	O	N[5]	S	3:4:	3:3:2:	3:2:1:1:	N[5]-3:S-4:	C[5]-3:C[5]-3:O-2:	C[6a]-3:O-2:O-1:O-1:	O(N[5]C[5]2)(SC[6a]OO)	N[5](C[5]C[5]O)2(OS)	S(C[6a]C[6a]2)(ON[5])(O)2	O(N[5]C[5]2)(SC[6a]OO)	N[5](C[5]C[5]O)2(OS){4|H<1>}	S(C[6a]C[6a]2)(ON[5])(O)2	115.5800	0.000	1	113.4920	8.719	2	113.3270	4.441	3	113.3270	4.441	3	113.3270	4.441	3	113.3270	4.441	3
893	542	952	0:SP3_SP3_SP3	O	N[5]	S	3:4:	3:3:2:	2:4:1:1:	N[5]-3:S-4:	C[5]-3:C[5]-3:O-2:	O-2:C-4:O-1:O-1:	O(N[5]C[5]2)(SCOO)	N[5](C[5]C[5]O)2(OS)	S(ON[5])(CH3)(O)2	O(N[5]C[5]2)(SCOO)	N[5](C[5]C[5]O)2(OS){4|H<1>}	S(ON[5])(CH3)(O)2	114.1480	0.000	1	114.1480	0.000	1	114.1480	0.000	1	114.1480	0.000	1	113.1257	1.258	3	113.1257	1.258	3
893	542	952	0:SP3_SP3_SP3	O	N[5]	S	3:4:	3:3:2:	3:2:1:1:	N[5]-3:S-4:	C[5]-3:C[5]-3:O-2:	C[6a]-3:O-2:O-1:O-1:	O(N[5]C[5]2)(SC[6a]OO)	N[5](C[5]C[5]O)2(OS)	S(C[6a]C[6a]2)(ON[5])(O)2	O(N[5]C[5]2)(SC[6a]OO)	N[5](C[5]C[5]O)2(OS){1|N<2>,3|H<1>}	S(C[6a]C[6a]2)(ON[5])(O)2	111.9260	0.000	1	112.6145	0.948	2	112.6145	0.948	2	112.6145	0.948	2	113.1257	1.258	3	113.1257	1.258	3
893	542	952	0:SP3_SP3_SP3	O	N[5]	S	3:4:	3:3:2:	3:2:1:1:	N[5]-3:S-4:	C[5]-3:C[5]-3:O-2:	C[6a]-3:O-2:O-1:O-1:	O(N[5]C[5]2)(SC[6a]OO)	N[5](C[5]C[5]O)2(OS)	S(C[6a]C[6a]2)(ON[5])(O)2	O(N[5]C[5]2)(SC[6a]OO)	N[5](C[5]C[5]O)2(OS){4|H<1>}	S(C[6a]C[6a]2)(ON[5])(O)2	113.3030	0.000	1	112.6145	0.948	2	112.6145	0.948	2	112.6145	0.948	2	113.1257	1.258	3	113.1257	1.258	3
893	542	992	0:SP3_SP3_SP3	O	N[5,6]	P	3:4:	4:4:2:	3:3:2:1:	N[5,6]-3:P-4:	C[5,5,6]-4:C[5,6]-4:O-2:	C[6a]-3:C[6a]-3:O-2:O-1:	O(N[5,6]C[5,5,6]C[5,6])(PC[6a]2O)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(OP)	P(C[6a]C[6a]2)2(ON[5,6])(O)	O(N[5,6]C[5,5,6]C[5,6])(PC[6a]2O)	N[5,6](C[5,5,6]C[5,5]C[5,6]H)(C[5,6]C[5,5,6]CH)(OP){1|C<3>,4|H<1>}	P(C[6a]C[6a]2)2(ON[5,6])(O)	108.6810	0.000	1	108.6810	0.000	1	108.6810	0.000	1	108.6810	0.000	1	108.6810	0.000	1	108.6810	0.000	1
893	562	562	0:SP3_SP3_SP3	O	Si[5]	Si[5]	4:4:	3:3:2:1:	3:3:2:1:	Si[5]-4:Si[5]-4:	N[5]-3:N[5]-3:O-2:H-1:	N[5]-3:N[5]-3:O-2:H-1:	O(Si[5]N[5]2H)2	Si[5](N[5]C[5]C)2(OSi[5])(H)	Si[5](N[5]C[5]C)2(OSi[5])(H)	O(Si[5]N[5]2H)2	Si[5](N[5]C[5]C)2(OSi[5])(H){2|C<4>,2|H<1>}	Si[5](N[5]C[5]C)2(OSi[5])(H){2|C<4>,2|H<1>}	150.1650	0.000	1	150.1650	0.000	1	150.1650	0.000	1	150.1650	0.000	1	150.1650	0.000	1	150.1650	0.000	1
893	562	643	0:SP2_SP2_SP3	O	Si[5]	C[6a]	3:4:	3:2:2:4:	3:3:2:	C[6a]-3:Si[5]-4:	N[5,6]-3:O[5]-2:O-2:C-4:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(Si[5]N[5,6]O[5]C)	Si[5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(OC[6a])(CCHH)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OSi[5])	O(C[6a]C[6a,6a]C[6a])(Si[5]N[5,6]O[5]C)	Si[5](N[5,6]C[5,6,6a]C[6])(O[5]C[5,6a])(OC[6a])(CCHH){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OSi[5]){1|H<1>,3|C<3>}	121.0050	0.000	1	121.0050	0.000	1	121.0050	0.000	1	121.0050	0.000	1	125.1310	15.641	3	125.1310	15.641	3
893	562	643	0:SP2_SP2_SP3	O	Si[5]	C[6a]	4:3:	4:4:2:2:	3:3:2:	Si[5]-4:C[6a]-3:	C[5]-4:C[5]-4:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(Si[5]C[5]2O)(C[6a]C[6a]2)	Si[5](C[5]C[5]HH)2(OC[6a])(OC)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi[5])	O(Si[5]C[5]2O)(C[6a]C[6a]2)	Si[5](C[5]C[5]HH)2(OC[6a])(OC){4|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OSi[5]){1|C<3>,2|H<1>}	127.1940	2.397	2	127.1940	5.746	2	127.1940	5.746	2	127.1940	5.746	2	125.1310	15.641	3	125.1310	15.641	3
893	562	880	0:SP3_SP3_SP3	O	Si[5]	Si	4:4:	3:3:2:2:	2:2:4:4:	Si[5]-4:Si-4:	C[5]-3:C[5]-3:O-2:O-2:	O-2:O-2:C-4:C-4:	O(Si[5]C[5]2O)(SiCCO)	Si[5](C[5]C[6a]C[5])2(OSi)2	Si(OSi[5])2(CH3)2	O(Si[5]C[5]2O)(SiCCO)	Si[5](C[5]C[6a]C[5])2(OSi)2{6|C<3>}	Si(OSi[5])2(CH3)2	153.4335	0.459	2	153.4335	0.211	2	153.4335	0.211	2	153.4335	0.211	2	150.9712	77.326	11	150.9712	77.326	11
893	562	880	0:SP3_SP3_SP3	O	Si[5]	Si	4:4:	3:3:2:2:	3:2:2:4:	Si[5]-4:Si-4:	C[5,6a]-3:C[5,6a]-3:O-2:O-2:	C[6a]-3:O-2:O-2:C-4:	O(Si[5]C[5,6a]2O)(SiC[6a]CO)	Si[5](C[5,6a]C[5,6a]C[6a])2(OSi)2	Si(C[6a]C[6a]2)(OSi[5])2(CH3)	O(Si[5]C[5,6a]2O)(SiC[6a]CO)	Si[5](C[5,6a]C[5,6a]C[6a])2(OSi)2{2|H<1>,4|C<3>}	Si(C[6a]C[6a]2)(OSi[5])2(CH3)	147.0905	4.646	6	147.0905	21.583	6	147.0905	21.583	6	147.0905	21.583	6	150.9712	77.326	11	150.9712	77.326	11
893	562	880	0:SP3_SP3_SP3	O	Si[5]	Si	4:4:	3:3:2:2:	3:3:2:2:	Si[5]-4:Si-4:	C[5]-3:C[5]-3:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:O-2:	O(Si[5]C[5]2O)(SiC[6a]2O)	Si[5](C[5]C[6a]C[5])2(OSi)2	Si(C[6a]C[6a]2)2(OSi[5])2	O(Si[5]C[5]2O)(SiC[6a]2O)	Si[5](C[5]C[6a]C[5])2(OSi)2{6|C<3>}	Si(C[6a]C[6a]2)2(OSi[5])2	156.1005	21.081	2	156.1005	444.407	2	156.1005	444.407	2	156.1005	444.407	2	150.9712	77.326	11	150.9712	77.326	11
893	562	880	0:SP3_SP3_SP3	O	Si[5]	Si	4:4:	4:3:3:2:	2:4:4:4:	Si[5]-4:Si-4:	C[5]-4:C[5]-3:C[3]-3:O-2:	O-2:C-4:C-4:C-4:	O(Si[5]C[3]C[5]2)(SiC3)	Si[5](C[5]C[5]Si2)(C[5]C[5]Si)(C[3]C[3]2)(OSi)	Si(OSi[5])(CH3)3	O(Si[5]C[3]C[5]2)(SiC3)	Si[5](C[5]C[5]Si2)(C[5]C[5]Si)(C[3]C[3]2)(OSi){2|C<3>,4|H<1>}	Si(OSi[5])(CH3)3	159.0720	0.000	1	159.0720	0.000	1	159.0720	0.000	1	159.0720	0.000	1	150.9712	77.326	11	150.9712	77.326	11
893	562	930	0:SP2_SP2_SP3	O	Si[5,6]	C	4:3:	3:4:2:2:	2:4:2:	Si[5,6]-4:C-3:	N[5,6]-3:C[6]-4:O[5]-2:O-2:	O-2:C-4:N-2:	O(Si[5,6]N[5,6]C[6]O[5])(CCN)	Si[5,6](N[5,6]C[6]N[5])(C[6]C[6]HH)(O[5]C[5])(OC)	C(OSi[5,6])(CH3)(NN)	O(Si[5,6]N[5,6]C[6]O[5])(CCN)	Si[5,6](N[5,6]C[6]N[5])(C[6]C[6]HH)(O[5]C[5])(OC){1|C<3>,2|C<4>,3|H<1>}	C(OSi[5,6])(CH3)(NN)	117.7045	0.708	2	117.7045	0.501	2	117.7045	0.501	2	117.7045	0.501	2	117.7045	0.501	2	120.0060	23.423	4
893	562	930	0:SP2_SP2_SP3	O	Si[5]	C	4:3:	3:2:4:2:	2:4:2:	Si[5]-4:C-3:	N[5]-3:O[5]-2:C-4:O-2:	O-2:C-4:N-2:	O(Si[5]N[5]O[5]C)(CCN)	Si[5](N[5]N[5]C)(O[5]C[5])(CH3)(OC)	C(OSi[5])(CH3)(NN)	O(Si[5]N[5]O[5]C)(CCN)	Si[5](N[5]N[5]C)(O[5]C[5])(CH3)(OC){1|C<4>}	C(OSi[5])(CH3)(NN)	117.3790	0.000	1	117.3790	0.000	1	117.3790	0.000	1	117.3790	0.000	1	122.3075	48.580	2	120.0060	23.423	4
893	562	930	0:SP2_SP2_SP3	O	Si[5]	C	4:3:	4:4:2:1:	2:2:1:	Si[5]-4:C-3:	C[5]-4:C[5]-4:O-2:O-1:	O-2:O-2:O-1:	O(Si[5]C[5]2O)(COO)	Si[5](C[5]C[5]Si2)2(OC)(O)	C(OSi[5])2(O)	O(Si[5]C[5]2O)(COO)	Si[5](C[5]C[5]Si2)2(OC)(O){4|H<1>}	C(OSi[5])2(O)	127.2360	0.000	1	127.2360	0.000	1	127.2360	0.000	1	127.2360	0.000	1	122.3075	48.580	2	120.0060	23.423	4
893	562	951	0:SP3_SP-NON_SP3	O	Si[5]	H	4:1:	3:3:2:2:	2:	Si[5]-4:H-1:	C[5,6a]-3:C[5,6a]-3:O-2:O-2:	O-2:	O(Si[5]C[5,6a]2O)(H)	Si[5](C[5,6a]C[5,6a]C[6a])2(OH)2	H(OSi[5])	O(Si[5]C[5,6a]2O)(H)	Si[5](C[5,6a]C[5,6a]C[6a])2(OH)2{6|C<3>}	H(OSi[5])	109.4835	0.056	2	109.4835	0.003	2	109.4835	0.003	2	109.4835	0.003	2	110.6570	5.477	4	110.6570	5.477	4
893	562	951	0:SP3_SP-NON_SP3	O	Si[5]	H	4:1:	3:3:3:2:	2:	Si[5]-4:H-1:	N[5]-3:N[5]-3:N-3:O-2:	O-2:	O(Si[5]N[5]2N)(H)	Si[5](N[5]C[5]C)2(NB[5a]H)(OH)	H(OSi[5])	O(Si[5]N[5]2N)(H)	Si[5](N[5]C[5]C)2(NB[5a]H)(OH){2|H<1>}	H(OSi[5])	114.1670	0.000	1	114.1670	0.000	1	114.1670	0.000	1	114.1670	0.000	1	110.6570	5.477	4	110.6570	5.477	4
893	562	951	0:SP3_SP-NON_SP3	O	Si[5]	H	4:1:	4:3:3:2:	2:	Si[5]-4:H-1:	C[6,6]-4:C[5]-3:C[5]-3:O-2:	O-2:	O(Si[5]C[6,6]C[5]2)(H)	Si[5](C[6,6]C[3x6]2H)(C[5]C[6a]C[5])2(OH)	H(OSi[5])	O(Si[5]C[6,6]C[5]2)(H)	Si[5](C[6,6]C[3x6]2H)(C[5]C[6a]C[5])2(OH){2|H<1>,4|C<4>,6|C<3>}	H(OSi[5])	109.4940	0.000	1	109.4940	0.000	1	109.4940	0.000	1	109.4940	0.000	1	110.6570	5.477	4	110.6570	5.477	4
893	562	956	0:SP3_SP3_SP3	O	Si[5]	N	4:3:	3:3:2:2:	2:4:4:	Si[5]-4:N-3:	C[5]-3:C[5]-3:O-2:O-2:	O-2:C-4:C-4:	O(Si[5]C[5]2O)(NCC)	Si[5](C[5]C[6a]C[5])2(ON)2	N(OSi[5])(CH3)2	O(Si[5]C[5]2O)(NCC)	Si[5](C[5]C[6a]C[5])2(ON)2{6|C<3>}	N(OSi[5])(CH3)2	105.1275	1.053	2	105.1275	1.109	2	105.1275	1.109	2	105.1275	1.109	2	105.1275	1.109	2	105.1275	1.109	2
893	578	956	0:SP3_SP2_SPD6	O	Ga[5,6]	N	6:3:	3:3:2:2:3:2:	2:1:1:	Ga[5,6]-6:N-3:	N[5,6]-3:N[5,6]-3:O[6]-2:O[6]-2:O-3:O-2:	O-2:O-1:O-1:	O(Ga[5,6]N[5,6]2O[6]2O)(NOO)	Ga[5,6](N[5,6]C[5,6,6a]C[6])2(O[6]C[6,6a])(O[6]C[6,6])(OCH)(ON)	N(OGa[5,6])(O)2	O(Ga[5,6]N[5,6]2O[6]2O)(NOO)	Ga[5,6](N[5,6]C[5,6,6a]C[6])2(O[6]C[6,6a])(O[6]C[6,6])(OCH)(ON){2|H<1>,7|C<3>}	N(OGa[5,6])(O)2	118.8555	0.514	2	118.8555	0.264	2	118.8555	0.264	2	118.8555	0.264	2	118.8555	0.264	2	118.8555	0.264	2
893	598	598	0:SP2_SP2_SP2	O	Si[4]	Si[4]	3:3:	3:3:2:	3:3:2:	Si[4]-3:Si[4]-3:	N[4]-3:N[4]-3:O-2:	N[4]-3:N[4]-3:O-2:	O(Si[4]N[4]2)2	Si[4](N[4]C[4]C)2(OSi[4])	Si[4](N[4]C[4]C)2(OSi[4])	O(Si[4]N[4]2)2	Si[4](N[4]C[4]C)2(OSi[4]){1|C<3>}	Si[4](N[4]C[4]C)2(OSi[4]){1|C<3>}	159.8560	0.000	1	159.8560	0.000	1	159.8560	0.000	1	159.8560	0.000	1	159.8560	0.000	1	159.8560	0.000	1
893	606	606	0:SP3_SP3_SP3	O	Ge[5]	Ge[5]	4:4:	3:3:2:1:	3:3:2:1:	Ge[5]-4:Ge[5]-4:	N[5]-3:N[5]-3:O-2:S-1:	N[5]-3:N[5]-3:O-2:S-1:	O(Ge[5]N[5]2S)2	Ge[5](N[5]C[5]C)2(OGe[5])(S)	Ge[5](N[5]C[5]C)2(OGe[5])(S)	O(Ge[5]N[5]2S)2	Ge[5](N[5]C[5]C)2(OGe[5])(S){2|C<3>}	Ge[5](N[5]C[5]C)2(OGe[5])(S){2|C<3>}	178.6580	0.000	1	178.6580	0.000	1	178.6580	0.000	1	179.2335	0.662	2	179.2335	0.662	2	179.2335	0.662	2
893	606	606	0:SP3_SP3_SP3	O	Ge[5]	Ge[5]	4:4:	3:3:2:1:	3:3:2:1:	Ge[5]-4:Ge[5]-4:	N[5]-3:N[5]-3:O-2:Se-1:	N[5]-3:N[5]-3:O-2:Se-1:	O(Ge[5]N[5]2Se)2	Ge[5](N[5]C[5]C)2(OGe[5])(Se)	Ge[5](N[5]C[5]C)2(OGe[5])(Se)	O(Ge[5]N[5]2Se)2	Ge[5](N[5]C[5]C)2(OGe[5])(Se){2|C<3>}	Ge[5](N[5]C[5]C)2(OGe[5])(Se){2|C<3>}	179.8090	0.000	1	179.8090	0.000	1	179.8090	0.000	1	179.2335	0.662	2	179.2335	0.662	2	179.2335	0.662	2
893	606	610	0:SP3_SP3_SP3	O	Ge[5]	B	4:4:	3:3:2:1:	3:3:3:2:	Ge[5]-4:B-4:	N[5]-3:N[5]-3:O-2:Cl-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(Ge[5]N[5]2Cl)(BC[6a]3)	Ge[5](N[5]C[5]C)2(OB)(Cl)	B(C[6a]C[6a]2)3(OGe[5])	O(Ge[5]N[5]2Cl)(BC[6a]3)	Ge[5](N[5]C[5]C)2(OB)(Cl){2|C<3>}	B(C[6a]C[6a]2)3(OGe[5])	134.5780	0.000	1	134.5780	0.000	1	134.5780	0.000	1	134.5780	0.000	1	132.4282	23.531	9	132.4282	23.531	9
893	606	610	0:SP3_SP3_SP3	O	Ge[5]	B	4:4:	3:3:2:2:	3:3:3:2:	Ge[5]-4:B-4:	N[5]-3:N[5]-3:C-2:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(Ge[5]N[5]2C)(BC[6a]3)	Ge[5](N[5]C[5]C)2(CC)(OB)	B(C[6a]C[6a]2)3(OGe[5])	O(Ge[5]N[5]2C)(BC[6a]3)	Ge[5](N[5]C[5]C)2(CC)(OB){2|C<3>}	B(C[6a]C[6a]2)3(OGe[5])	131.4620	0.000	1	131.4620	0.000	1	131.4620	0.000	1	132.6582	42.118	5	132.4282	23.531	9	132.4282	23.531	9
893	606	610	0:SP3_SP3_SP3	O	Ge[5]	B	4:4:	3:3:2:2:	3:3:3:2:	Ge[5]-4:B-4:	N[5]-3:N[5]-3:O-2:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(Ge[5]N[5]2O)(BC[6a]3)	Ge[5](N[5]C[5]C)2(OB)(OC)	B(C[6a]C[6a]2)3(OGe[5])	O(Ge[5]N[5]2O)(BC[6a]3)	Ge[5](N[5]C[5]C)2(OB)(OC){2|C<3>}	B(C[6a]C[6a]2)3(OGe[5])	128.4525	0.480	2	128.4525	0.231	2	129.2790	2.165	3	132.6582	42.118	5	132.4282	23.531	9	132.4282	23.531	9
893	606	610	0:SP3_SP3_SP3	O	Ge[5]	B	4:4:	3:3:2:2:	3:3:3:2:	Ge[5]-4:B-4:	N[5]-3:N[5]-3:O-2:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(Ge[5]N[5]2O)(BC[6a]3)	Ge[5](N[5]C[5]C)2(OSi)(OB)	B(C[6a]C[6a]2)3(OGe[5])	O(Ge[5]N[5]2O)(BC[6a]3)	Ge[5](N[5]C[5]C)2(OSi)(OB){2|C<3>}	B(C[6a]C[6a]2)3(OGe[5])	130.9320	0.000	1	130.9320	0.000	1	129.2790	2.165	3	132.6582	42.118	5	132.4282	23.531	9	132.4282	23.531	9
893	606	610	0:SP3_SP3_SP3	O	Ge[5]	B	4:4:	3:3:2:2:	3:3:3:2:	Ge[5]-4:B-4:	N[5]-3:N[5]-3:S-2:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(Ge[5]N[5]2S)(BC[6a]3)	Ge[5](N[5]C[5]C)2(SC[6a])(OB)	B(C[6a]C[6a]2)3(OGe[5])	O(Ge[5]N[5]2S)(BC[6a]3)	Ge[5](N[5]C[5]C)2(SC[6a])(OB){2|C<3>}	B(C[6a]C[6a]2)3(OGe[5])	143.9920	0.000	1	143.9920	0.000	1	143.9920	0.000	1	132.6582	42.118	5	132.4282	23.531	9	132.4282	23.531	9
893	606	610	0:SP3_SP3_SP3	O	Ge[5]	B	4:4:	3:3:3:2:	3:3:3:2:	Ge[5]-4:B-4:	C[6a]-3:N[5]-3:N[5]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(Ge[5]C[6a]N[5]2)(BC[6a]3)	Ge[5](C[6a]C[6a]2)(N[5]C[5]C)2(OB)	B(C[6a]C[6a]2)3(OGe[5])	O(Ge[5]C[6a]N[5]2)(BC[6a]3)	Ge[5](C[6a]C[6a]2)(N[5]C[5]C)2(OB){2|H<1>,4|C<3>}	B(C[6a]C[6a]2)3(OGe[5])	131.2640	0.000	1	131.2640	0.000	1	131.2640	0.000	1	130.1260	2.590	2	132.4282	23.531	9	132.4282	23.531	9
893	606	610	0:SP3_SP3_SP3	O	Ge[5]	B	4:4:	3:3:3:2:	3:3:3:2:	Ge[5]-4:B-4:	N[5a]-3:N[5]-3:N[5]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(Ge[5]N[5a]N[5]2)(BC[6a]3)	Ge[5](N[5a]C[5a]2)(N[5]C[5]C)2(OB)	B(C[6a]C[6a]2)3(OGe[5])	O(Ge[5]N[5a]N[5]2)(BC[6a]3)	Ge[5](N[5a]C[5a]2)(N[5]C[5]C)2(OB){2|H<1>,4|C<3>}	B(C[6a]C[6a]2)3(OGe[5])	128.9880	0.000	1	128.9880	0.000	1	128.9880	0.000	1	130.1260	2.590	2	132.4282	23.531	9	132.4282	23.531	9
893	606	610	0:SP3_SP3_SP3	O	Ge[5]	B	4:4:	3:3:4:2:	3:3:3:2:	Ge[5]-4:B-4:	N[5]-3:N[5]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(Ge[5]N[5]2C)(BC[6a]3)	Ge[5](N[5]C[5]C)2(CH3)(OB)	B(C[6a]C[6a]2)3(OGe[5])	O(Ge[5]N[5]2C)(BC[6a]3)	Ge[5](N[5]C[5]C)2(CH3)(OB){2|C<3>}	B(C[6a]C[6a]2)3(OGe[5])	133.7330	0.000	1	133.7330	0.000	1	133.7330	0.000	1	133.7330	0.000	1	132.4282	23.531	9	132.4282	23.531	9
893	606	856	0:SP3_SP3_SP3	O	Ge[5]	N[6]	4:3:	4:4:2:2:	4:4:2:	Ge[5]-4:N[6]-3:	C[5]-4:C[5]-4:O-2:O-2:	C[6]-4:C[6]-4:O-2:	O(Ge[5]C[5]2O)(N[6]C[6]2)	Ge[5](C[5]C[5]Si2)2(ON[6])2	N[6](C[6]C[6]CC)2(OGe[5])	O(Ge[5]C[5]2O)(N[6]C[6]2)	Ge[5](C[5]C[5]Si2)2(ON[6])2{4|H<1>}	N[6](C[6]C[6]CC)2(OGe[5]){1|C<4>,4|H<1>}	127.0615	0.069	2	127.0615	0.005	2	127.0615	0.005	2	127.0615	0.005	2	127.0615	0.005	2	127.0615	0.005	2
893	606	880	0:SP3_SP3_SP3	O	Ge[5]	Si	4:4:	3:3:2:1:	2:4:4:4:	Ge[5]-4:Si-4:	N[5]-3:N[5]-3:O-2:S-1:	O-2:C-4:C-4:C-4:	O(Ge[5]N[5]2S)(SiC3)	Ge[5](N[5]C[5]C)2(OSi)(S)	Si(OGe[5])(CH3)3	O(Ge[5]N[5]2S)(SiC3)	Ge[5](N[5]C[5]C)2(OSi)(S){2|C<3>}	Si(OGe[5])(CH3)3	132.2600	0.000	1	132.2600	0.000	1	132.2600	0.000	1	132.2600	0.000	1	140.9672	25.724	5	140.9672	25.724	5
893	606	880	0:SP3_SP3_SP3	O	Ge[5]	Si	4:4:	3:3:2:1:	3:3:3:2:	Ge[5]-4:Si-4:	N[5]-3:N[5]-3:O-2:S-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(Ge[5]N[5]2S)(SiC[6a]3)	Ge[5](N[5]C[5]C)2(OSi)(S)	Si(C[6a]C[6a]2)3(OGe[5])	O(Ge[5]N[5]2S)(SiC[6a]3)	Ge[5](N[5]C[5]C)2(OSi)(S){2|C<3>}	Si(C[6a]C[6a]2)3(OGe[5])	142.3870	0.000	1	142.3870	0.000	1	142.3870	0.000	1	142.0690	0.202	2	140.9672	25.724	5	140.9672	25.724	5
893	606	880	0:SP3_SP3_SP3	O	Ge[5]	Si	4:4:	3:3:2:1:	3:3:3:2:	Ge[5]-4:Si-4:	N[5]-3:N[5]-3:O-2:Se-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(Ge[5]N[5]2Se)(SiC[6a]3)	Ge[5](N[5]C[5]C)2(OSi)(Se)	Si(C[6a]C[6a]2)3(OGe[5])	O(Ge[5]N[5]2Se)(SiC[6a]3)	Ge[5](N[5]C[5]C)2(OSi)(Se){2|C<3>}	Si(C[6a]C[6a]2)3(OGe[5])	141.7510	0.000	1	141.7510	0.000	1	141.7510	0.000	1	142.0690	0.202	2	140.9672	25.724	5	140.9672	25.724	5
893	606	880	0:SP3_SP3_SP3	O	Ge[5]	Si	4:4:	3:3:2:2:	3:3:3:2:	Ge[5]-4:Si-4:	N[5]-3:N[5]-3:O-2:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(Ge[5]N[5]2O)(SiC[6a]3)	Ge[5](N[5]C[5]C)2(OSi)(OB)	Si(C[6a]C[6a]2)3(OGe[5])	O(Ge[5]N[5]2O)(SiC[6a]3)	Ge[5](N[5]C[5]C)2(OSi)(OB){2|C<3>}	Si(C[6a]C[6a]2)3(OGe[5])	145.5040	0.000	1	145.5040	0.000	1	145.5040	0.000	1	145.5040	0.000	1	140.9672	25.724	5	140.9672	25.724	5
893	606	880	0:SP3_SP3_SP3	O	Ge[5]	Si	4:4:	3:3:3:2:	2:4:4:4:	Ge[5]-4:Si-4:	N[5]-3:N[5]-3:N-3:O-2:	O-2:C-4:C-4:C-4:	O(Ge[5]N[5]2N)(SiC3)	Ge[5](N[5]C[5]C)2(NSiB)(OSi)	Si(OGe[5])(CH3)3	O(Ge[5]N[5]2N)(SiC3)	Ge[5](N[5]C[5]C)2(NSiB)(OSi){2|C<3>}	Si(OGe[5])(CH3)3	142.9340	0.000	1	142.9340	0.000	1	142.9340	0.000	1	142.9340	0.000	1	140.9672	25.724	5	140.9672	25.724	5
893	610	643	0:SP2_SP2_SP3	O	B	C[6a]	3:4:	2:2:2:2:	3:3:2:	C[6a]-3:B-4:	O-2:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(BO3)	B(OC[6a])3(OC[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OB)	O(C[6a]C[6a]2)(BO3)	B(OC[6a])3(OC[6])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OB){1|C<3>,2|H<1>}	121.6843	1.339	3	121.6843	1.792	3	119.1434	4.048	55	119.1434	4.048	55	120.8976	11.653	87	120.8976	11.653	87
893	610	643	0:SP2_SP2_SP3	O	B	C[6a]	3:4:	2:2:2:2:	3:3:2:	C[6a]-3:B-4:	O-2:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(BO3)	B(OC[6a])3(OC[6])	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OB)	O(C[6a]C[6a]2)(BO3)	B(OC[6a])3(OC[6])	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OB){1|C<3>,2|H<1>}	123.4483	1.360	3	123.4483	1.850	3	119.1434	4.048	55	119.1434	4.048	55	120.8976	11.653	87	120.8976	11.653	87
893	610	643	0:SP2_SP2_SP3	O	B	C[6a]	3:4:	2:2:2:2:	3:3:2:	C[6a]-3:B-4:	O-2:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(BO3)	B(OC[6a])4	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB)	O(C[6a]C[6a]2)(BO3)	B(OC[6a])4	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB){1|H<1>,4|C<3>}	117.5298	1.295	14	117.5298	1.676	14	119.1434	4.048	55	119.1434	4.048	55	120.8976	11.653	87	120.8976	11.653	87
893	610	643	0:SP2_SP2_SP3	O	B	C[6a]	3:4:	2:2:2:2:	3:3:2:	C[6a]-3:B-4:	O-2:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(BO3)	B(OC[6a])4	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OB)	O(C[6a]C[6a]2)(BO3)	B(OC[6a])4	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OB){2|H<1>,3|C<3>}	118.8771	1.229	31	118.8771	1.511	31	119.1434	4.048	55	119.1434	4.048	55	120.8976	11.653	87	120.8976	11.653	87
893	610	643	0:SP2_SP2_SP3	O	B	C[6a]	3:4:	2:2:2:2:	3:3:2:	C[6a]-3:B-4:	O-2:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(BO3)	B(OC[6a])4	C[6a](C[6a]C[6a]H)2(OB)	O(C[6a]C[6a]2)(BO3)	B(OC[6a])4	C[6a](C[6a]C[6a]H)2(OB){1|C<3>,2|H<1>}	121.7203	1.154	4	121.7203	1.332	4	119.1434	4.048	55	119.1434	4.048	55	120.8976	11.653	87	120.8976	11.653	87
893	610	643	0:SP2_SP2_SP3	O	B	C[6a]	3:4:	3:2:2:2:	3:2:2:	C[6a]-3:B-4:	N[6]-3:O-2:O-2:O-2:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(BN[6]OO)	B(N[6]C[6]2)(OC[6a])3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OB)	O(C[6a]C[6a]N[6a])(BN[6]OO)	B(N[6]C[6]2)(OC[6a])3	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OB){1|C<3>,2|H<1>}	125.2770	1.217	3	125.2770	1.480	3	125.2770	1.480	3	125.2770	1.480	3	120.8976	11.653	87	120.8976	11.653	87
893	610	643	0:SP2_SP2_SP3	O	B	C[6a]	3:4:	3:2:2:2:	3:3:2:	C[6a]-3:B-4:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(BC[6a]OO)	B(C[6a]C[6a]2)(OC[6a])2(OP)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB)	O(C[6a]C[6a]2)(BC[6a]OO)	B(C[6a]C[6a]2)(OC[6a])2(OP)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OB){1|H<1>,4|C<3>}	116.9680	5.439	2	116.9680	29.583	2	116.9680	29.583	2	122.1049	7.871	19	120.8976	11.653	87	120.8976	11.653	87
893	610	643	0:SP2_SP2_SP3	O	B	C[6a]	3:4:	3:2:2:2:	3:3:2:	C[6a]-3:B-4:	N[6]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(BN[6]OO)	B(N[6]C[6]2)(OC[6a])3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Si)(OB)	O(C[6a]C[6a]2)(BN[6]OO)	B(N[6]C[6]2)(OC[6a])3	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]Si)(OB){1|C<3>,2|H<1>}	124.3253	0.622	3	124.3253	0.387	3	123.1506	1.957	15	122.1049	7.871	19	120.8976	11.653	87	120.8976	11.653	87
893	610	643	0:SP2_SP2_SP3	O	B	C[6a]	3:4:	3:2:2:2:	3:3:2:	C[6a]-3:B-4:	N[6]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(BN[6]OO)	B(N[6]C[6]2)(OC[6a])3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OB)	O(C[6a]C[6a]2)(BN[6]OO)	B(N[6]C[6]2)(OC[6a])3	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OB){1|C<3>,2|H<1>}	121.0470	0.724	3	121.0470	0.524	3	123.1506	1.957	15	122.1049	7.871	19	120.8976	11.653	87	120.8976	11.653	87
893	610	643	0:SP2_SP2_SP3	O	B	C[6a]	3:4:	3:2:2:2:	3:3:2:	C[6a]-3:B-4:	N[6]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(BN[6]OO)	B(N[6]C[6]2)(OC[6a])3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]2)(OB)	O(C[6a]C[6a]2)(BN[6]OO)	B(N[6]C[6]2)(OC[6a])3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]2)(OB){2|H<1>,3|C<3>}	123.3323	1.050	3	123.3323	1.102	3	123.1506	1.957	15	122.1049	7.871	19	120.8976	11.653	87	120.8976	11.653	87
893	610	643	0:SP2_SP2_SP3	O	B	C[6a]	3:4:	3:2:2:2:	3:3:2:	C[6a]-3:B-4:	N[6]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(BN[6]OO)	B(N[6]C[6]2)(OC[6a])3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OB)	O(C[6a]C[6a]2)(BN[6]OO)	B(N[6]C[6]2)(OC[6a])3	C[6a](C[6a]C[6a]Si)(C[6a]C[6a]H)(OB){1|C<3>,2|H<1>}	123.5242	1.002	6	123.5242	1.004	6	123.1506	1.957	15	122.1049	7.871	19	120.8976	11.653	87	120.8976	11.653	87
893	610	643	0:SP2_SP2_SP3	O	B	C[6a]	3:4:	3:2:2:2:	3:3:2:	C[6a]-3:B-4:	O[5]-3:O-2:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(BO[5]OO)	B(O[5]C[5]2)(OC[6a])3	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OB)	O(C[6a]C[6a]2)(BO[5]OO)	B(O[5]C[5]2)(OC[6a])3	C[6a](C[6a]C[5a,6a]C)(C[6a]C[6a]H)(OB){1|H<1>,2|C<3>}	119.3995	0.938	2	119.3995	0.880	2	119.3995	0.880	2	122.1049	7.871	19	120.8976	11.653	87	120.8976	11.653	87
893	610	643	0:SP2_SP2_SP3	O	B	C[6a]	3:4:	3:3:2:2:	3:3:2:	C[6a]-3:B-4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(BC[6a]2O)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)(OC[6a])(OP)	C[6a](C[6a]C[6a]F)2(OB)	O(C[6a]C[6a]2)(BC[6a]2O)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)(OC[6a])(OP)	C[6a](C[6a]C[6a]F)2(OB){1|C<3>,2|F<1>}	126.6470	0.000	1	126.6470	0.000	1	126.6470	0.000	1	126.6470	0.000	1	120.8976	11.653	87	120.8976	11.653	87
893	610	643	0:SP2_SP2_SP3	O	B	C[6a]	3:4:	3:3:3:2:	3:3:2:	C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a,6a]-3:O-2:	O(C[6a]C[6a,6a]2)(BC[6a]3)	B(C[6a]C[6a]2)3(OC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OB)	O(C[6a]C[6a,6a]2)(BC[6a]3)	B(C[6a]C[6a]2)3(OC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OB){2|H<1>,5|C<3>}	128.4670	0.000	1	128.4670	0.000	1	128.4670	0.000	1	126.9706	2.437	9	120.8976	11.653	87	120.8976	11.653	87
893	610	643	0:SP2_SP2_SP3	O	B	C[6a]	3:4:	3:3:3:2:	3:3:2:	C[6a]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(BC[6a]3)	B(C[6a]C[6a]2)3(OC[6a])	C[6a](C[6a]C[6a]H)2(OB)	O(C[6a]C[6a]2)(BC[6a]3)	B(C[6a]C[6a]2)3(OC[6a])	C[6a](C[6a]C[6a]H)2(OB){1|C<3>,2|H<1>}	126.7835	1.557	8	126.7835	2.426	8	126.7835	2.426	8	126.9706	2.437	9	120.8976	11.653	87	120.8976	11.653	87
893	610	727	0:SP2_SP2_SP3	O	B	C[5a]	3:4:	4:4:2:2:	3:2:2:	C[5a]-3:B-4:	C[6]-4:C[6]-4:O-2:O-2:	C[5,5a]-3:O[5a]-2:O-2:	O(C[5a]C[5,5a]O[5a])(BC[6]2O)	B(C[6]C[6]2H)2(OC[5a])2	C[5a](C[5,5a]C[5,5a]N[5,5a])(O[5a]B[5a])(OB)	O(C[5a]C[5,5a]O[5a])(BC[6]2O)	B(C[6]C[6]2H)2(OC[5a])2	C[5a](C[5,5a]C[5,5a]N[5,5a])(O[5a]B[5a])(OB){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	131.3235	0.248	2	131.3235	0.062	2	131.3235	0.062	2	131.3235	0.062	2	131.3235	0.062	2	131.3235	0.062	2
893	610	762	0:SP2_SP2_SP3	O	B	C[6]	3:4:	2:2:2:2:	3:3:2:	C[6]-3:B-4:	O-2:O-2:O-2:O-2:	C[6]-3:C[6]-3:O-2:	O(C[6]C[6]2)(BO3)	B(OC[6a])3(OC[6])	C[6](C[6]C[6]H)2(OB)	O(C[6]C[6]2)(BO3)	B(OC[6a])3(OC[6])	C[6](C[6]C[6]H)2(OB){1|O<2>,2|C<4>}	122.8405	1.008	2	122.8405	1.015	2	122.8405	1.015	2	122.8405	1.015	2	127.9092	20.850	12	127.9092	20.850	12
893	610	762	0:SP2_SP2_SP3	O	B	C[6]	3:4:	3:2:1:1:	3:3:2:	C[6]-3:B-4:	N[5a]-3:O-2:F-1:F-1:	C[6,6a]-3:C[5,6]-3:O-2:	O(C[6]C[6,6a]C[5,6])(BN[5a]FF)	B(N[5a]C[5a]2)(OC[6])(F)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(OB)	O(C[6]C[6,6a]C[5,6])(BN[5a]FF)	B(N[5a]C[5a]2)(OC[6])(F)2	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]C[5])(OB){1|N<3>,1|O<2>,2|H<1>,4|C<3>}	122.9490	0.844	2	122.9490	0.713	2	122.9490	0.713	2	122.9490	0.713	2	127.9092	20.850	12	127.9092	20.850	12
893	610	762	0:SP2_SP2_SP3	O	B	C[6]	3:4:	3:3:2:4:	3:2:2:	C[6]-3:B-4:	C[6a]-3:C[6a]-3:O-2:C-4:	P[6]-3:O[6]-2:O-2:	O(C[6]O[6]P[6])(BC[6a]2C)	B(C[6a]C[6a]2)2(OC[6])(CCHH)	C[6](P[6]C[6a]C[6])(O[6]B[6])(OB)	O(C[6]O[6]P[6])(BC[6a]2C)	B(C[6a]C[6a]2)2(OC[6])(CCHH)	C[6](P[6]C[6a]C[6])(O[6]B[6])(OB){1|C<4>,2|H<1>,4|C<3>}	127.5370	0.000	1	127.5370	0.000	1	127.5370	0.000	1	127.5370	0.000	1	127.9092	20.850	12	127.9092	20.850	12
893	610	762	0:SP2_SP2_SP3	O	B	C[6]	3:4:	3:3:3:2:	3:3:2:	C[6]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6]-3:O-2:	O(C[6]C[6,6a]C[6])(BC[6a]3)	B(C[6a]C[6a]2)3(OC[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(OB)	O(C[6]C[6,6a]C[6])(BC[6a]3)	B(C[6a]C[6a]2)3(OC[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(OB){1|H<1>,4|C<3>}	137.9030	0.000	1	137.9030	0.000	1	137.9030	0.000	1	137.9030	0.000	1	127.9092	20.850	12	127.9092	20.850	12
893	610	762	0:SP2_SP2_SP3	O	B	C[6]	3:4:	3:3:3:2:	4:2:2:	C[6]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6]-4:O[6]-2:O-2:	O(C[6]C[6]O[6])(BC[6a]3)	B(C[6a]C[6a]2)3(OC[6])	C[6](C[6]C[6]HH)(O[6]C[6])(OB)	O(C[6]C[6]O[6])(BC[6a]3)	B(C[6a]C[6a]2)3(OC[6])	C[6](C[6]C[6]HH)(O[6]C[6])(OB){1|C<4>,4|H<1>}	127.8460	0.000	1	127.8460	0.000	1	129.3263	1.791	3	129.3263	1.791	3	127.9092	20.850	12	127.9092	20.850	12
893	610	762	0:SP2_SP2_SP3	O	B	C[6]	3:4:	3:3:3:2:	4:2:2:	C[6]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6]-4:O[6]-2:O-2:	O(C[6]C[6]O[6])(BC[6a]3)	B(C[6a]C[6a]2)3(OC[6])	C[6](C[6]O[6]CH)(O[6]C[6])(OB)	O(C[6]C[6]O[6])(BC[6a]3)	B(C[6a]C[6a]2)3(OC[6])	C[6](C[6]O[6]CH)(O[6]C[6])(OB){1|C<3>,1|C<4>,1|H<1>}	130.0665	0.544	2	130.0665	0.296	2	129.3263	1.791	3	129.3263	1.791	3	127.9092	20.850	12	127.9092	20.850	12
893	610	762	0:SP2_SP2_SP3	O	B	C[6]	3:4:	3:3:3:2:	4:3:2:	C[6]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6]-4:C[6]-3:O-2:	O(C[6]C[6]2)(BC[6a]3)	B(C[6a]C[6a]2)3(OC[6])	C[6](C[6]C[6]HH)(C[6]C[6]I)(OB)	O(C[6]C[6]2)(BC[6a]3)	B(C[6a]C[6a]2)3(OC[6])	C[6](C[6]C[6]HH)(C[6]C[6]I)(OB){1|O<1>,3|C<4>}	129.9707	1.526	3	129.9707	2.329	3	129.9707	2.329	3	129.9707	2.329	3	127.9092	20.850	12	127.9092	20.850	12
893	610	770	0:SP2_SP2_SP3	O	B	B	4:3:	3:3:2:2:	3:3:2:	B-4:B-3:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(BC[6a]2O)(BC[6a]2)	B(C[6a]C[6a]2)2(OB)(OC)	B(C[6a]C[6a]2)2(OB)	O(BC[6a]2O)(BC[6a]2)	B(C[6a]C[6a]2)2(OB)(OC)	B(C[6a]C[6a]2)2(OB)	139.5160	0.000	1	139.5160	0.000	1	139.5160	0.000	1	139.5160	0.000	1	131.5235	127.760	2	131.5235	127.760	2
893	610	770	0:SP2_SP2_SP3	O	B	B	4:3:	4:2:1:1:	4:4:2:	B-4:B-3:	N-4:O-2:H-1:H-1:	C-4:N-4:O-2:	O(BHHN)(BCN)	B(NC3)(OB)(H)2	B(CH3)(NC3)(OB)	O(BHHN)(BCN)	B(NC3)(OB)(H)2	B(CH3)(NC3)(OB)	123.5310	0.000	1	123.5310	0.000	1	123.5310	0.000	1	123.5310	0.000	1	131.5235	127.760	2	131.5235	127.760	2
893	610	818	0:SP2_SP2_SP3	O	B	C[5]	3:4:	2:1:1:1:	3:3:2:	C[5]-3:B-4:	O-2:F-1:F-1:F-1:	C[5,6a]-3:C[5]-3:O-2:	O(C[5]C[5,6a]C[5])(BF3)	B(OC[5])(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(OB)	O(C[5]C[5,6a]C[5])(BF3)	B(OC[5])(F)3	C[5](C[5,6a]C[5,6a]C[6a])(C[5]C[5]P)(OB){1|H<1>,4|C<3>}	128.4630	2.372	2	128.4630	5.625	2	128.4630	5.625	2	128.4630	5.625	2	128.0740	12.290	21	128.0740	12.290	21
893	610	818	0:SP2_SP2_SP3	O	B	C[5]	3:4:	3:2:2:2:	3:3:2:	C[5]-3:B-4:	C[6a]-3:O-2:O-2:O-2:	N[5,6]-3:P[5]-3:O-2:	O(C[5]N[5,6]P[5])(BC[6a]OO)	B(C[6a]C[6a]2)(OC[5])3	C[5](N[5,6]C[5,6]C[6])(P[5]P[5]Mo)(OB)	O(C[5]N[5,6]P[5])(BC[6a]OO)	B(C[6a]C[6a]2)(OC[5])3	C[5](N[5,6]C[5,6]C[6])(P[5]P[5]Mo)(OB){1|H<1>,2|C<3>}	126.5343	2.046	3	126.5343	4.184	3	126.5343	4.184	3	126.5343	4.184	3	128.0740	12.290	21	128.0740	12.290	21
893	610	818	0:SP2_SP2_SP3	O	B	C[5]	3:4:	3:3:2:4:	4:4:2:	C[5]-3:B-4:	C[6a]-3:C[6a]-3:O-2:C-4:	B[5]-4:C[5]-4:O-2:	O(C[5]B[5]C[5])(BC[6a]2C)	B(C[6a]C[6a]2)2(OC[5])(CCHH)	C[5](B[5]C[6a]2P[5])(C[5]C[5]HH)(OB)	O(C[5]B[5]C[5])(BC[6a]2C)	B(C[6a]C[6a]2)2(OC[5])(CCHH)	C[5](B[5]C[6a]2P[5])(C[5]C[5]HH)(OB){1|C<4>,2|H<1>,5|C<3>}	131.9022	1.721	5	131.9022	2.963	5	131.9022	2.963	5	131.9022	2.963	5	128.0740	12.290	21	128.0740	12.290	21
893	610	818	0:SP2_SP2_SP3	O	B	C[5]	3:4:	3:3:3:2:	2:2:2:	C[5]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O[5]-2:O[5]-2:O-2:	O(C[5]O[5]2)(BC[6a]3)	B(C[6a]C[6a]2)3(OC[5])	C[5](O[5]C[5])2(OB)	O(C[5]O[5]2)(BC[6a]3)	B(C[6a]C[6a]2)3(OC[5])	C[5](O[5]C[5])2(OB){4|H<1>}	122.4795	0.627	2	122.4795	0.393	2	122.4795	0.393	2	122.4795	0.393	2	128.0740	12.290	21	128.0740	12.290	21
893	610	818	0:SP2_SP2_SP3	O	B	C[5]	3:4:	3:3:3:2:	3:2:2:	C[5]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[5]-3:O[5]-2:O-2:	O(C[5]C[5]O[5])(BC[6a]3)	B(C[6a]C[6a]2)3(OC[5])	C[5](C[5]C[5]C)(O[5]C[5])(OB)	O(C[5]C[5]O[5])(BC[6a]3)	B(C[6a]C[6a]2)3(OC[5])	C[5](C[5]C[5]C)(O[5]C[5])(OB){1|Au<2>,1|C<4>,1|H<1>}	128.5990	0.000	1	127.6437	2.117	3	127.6437	2.117	3	126.9672	3.242	4	128.0740	12.290	21	128.0740	12.290	21
893	610	818	0:SP2_SP2_SP3	O	B	C[5]	3:4:	3:3:3:2:	3:2:2:	C[5]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[5]-3:O[5]-2:O-2:	O(C[5]C[5]O[5])(BC[6a]3)	B(C[6a]C[6a]2)3(OC[5])	C[5](C[5]C[5]C)(O[5]C[5])(OB)	O(C[5]C[5]O[5])(BC[6a]3)	B(C[6a]C[6a]2)3(OC[5])	C[5](C[5]C[5]C)(O[5]C[5])(OB){1|H<1>,2|C<4>}	127.1660	1.693	2	127.6437	2.117	3	127.6437	2.117	3	126.9672	3.242	4	128.0740	12.290	21	128.0740	12.290	21
893	610	818	0:SP2_SP2_SP3	O	B	C[5]	3:4:	3:3:3:2:	3:2:2:	C[5]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	N[5]-3:O[5]-2:O-2:	O(C[5]N[5]O[5])(BC[6a]3)	B(C[6a]C[6a]2)3(OC[5])	C[5](N[5]C[5]H)(O[5]C[5])(OB)	O(C[5]N[5]O[5])(BC[6a]3)	B(C[6a]C[6a]2)3(OC[5])	C[5](N[5]C[5]H)(O[5]C[5])(OB){1|C<4>,1|H<1>}	124.9380	0.000	1	124.9380	0.000	1	124.9380	0.000	1	126.9672	3.242	4	128.0740	12.290	21	128.0740	12.290	21
893	610	818	0:SP2_SP2_SP3	O	B	C[5]	3:4:	3:3:3:2:	3:3:2:	C[5]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[5,6a]-3:C[5]-3:O-2:	O(C[5]C[5,6a]C[5])(BC[6a]3)	B(C[6a]C[6a]2)3(OC[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(OB)	O(C[5]C[5,6a]C[5])(BC[6a]3)	B(C[6a]C[6a]2)3(OC[5])	C[5](C[5,6a]C[5,6a,6a]C[6a])(C[5]C[5,6a]O)(OB){1|H<1>,3|C<3>}	132.0455	2.719	2	132.0455	7.392	2	132.0455	7.392	2	132.0455	7.392	2	128.0740	12.290	21	128.0740	12.290	21
893	610	818	0:SP2_SP2_SP3	O	B	C[5]	3:4:	3:3:3:2:	4:2:2:	C[5]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[5]-4:N[5]-2:O-2:	O(C[5]C[5]N[5])(BC[6a]3)	B(C[6a]C[6a]2)3(OC[5])	C[5](C[5]C[5]HH)(N[5]N[5])(OB)	O(C[5]C[5]N[5])(BC[6a]3)	B(C[6a]C[6a]2)3(OC[5])	C[5](C[5]C[5]HH)(N[5]N[5])(OB){1|C<3>,2|H<1>}	127.0160	0.000	1	127.0160	0.000	1	127.0160	0.000	1	125.5320	1.668	3	128.0740	12.290	21	128.0740	12.290	21
893	610	818	0:SP2_SP2_SP3	O	B	C[5]	3:4:	3:3:3:2:	4:2:2:	C[5]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[5]-4:O[5]-2:O-2:	O(C[5]C[5]O[5])(BC[6a]3)	B(C[6a]C[6a]2)3(OC[5])	C[5](C[5]C[5]HH)(O[5]C[5])(OB)	O(C[5]C[5]O[5])(BC[6a]3)	B(C[6a]C[6a]2)3(OC[5])	C[5](C[5]C[5]HH)(O[5]C[5])(OB){4|H<1>}	124.7900	0.180	2	124.7900	0.032	2	124.7900	0.032	2	125.5320	1.668	3	128.0740	12.290	21	128.0740	12.290	21
893	610	854	0:SP3_SP3_SP3	O	B	N[6]	4:4:	3:3:2:1:	4:4:2:1:	N[6]-4:B-4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6]-4:C[6]-4:O-2:H-1:	O(N[6]C[6]2H)(BC[6a]2H)	B(C[6a]C[6a]2)2(ON[6])(H)	N[6](C[6]C[6]CC)2(OB)(H)	O(N[6]C[6]2H)(BC[6a]2H)	B(C[6a]C[6a]2)2(ON[6])(H)	N[6](C[6]C[6]CC)2(OB)(H){1|C<4>,4|H<1>}	114.7630	0.000	1	114.7630	0.000	1	114.7630	0.000	1	114.7630	0.000	1	115.8487	5.496	3	115.8487	5.496	3
893	610	854	0:SP3_SP3_SP3	O	B	N[6]	4:4:	3:3:2:2:	4:4:2:1:	N[6]-4:B-4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6]-4:C[6]-4:O-2:H-1:	O(N[6]C[6]2H)(BC[6a]2O)	B(C[6a]C[6a]2)2(ON[6])(OC)	N[6](C[6]C[6]CC)2(OB)(H)	O(N[6]C[6]2H)(BC[6a]2O)	B(C[6a]C[6a]2)2(ON[6])(OC)	N[6](C[6]C[6]CC)2(OB)(H){1|C<4>,4|H<1>}	114.2440	0.000	1	114.2440	0.000	1	114.2440	0.000	1	114.2440	0.000	1	115.8487	5.496	3	115.8487	5.496	3
893	610	854	0:SP3_SP3_SP3	O	B	N[6]	4:4:	3:3:2:3:	4:4:2:1:	N[6]-4:B-4:	C[6a]-3:C[6a]-3:O-2:C-3:	C[6]-4:C[6]-4:O-2:H-1:	O(N[6]C[6]2H)(BC[6a]2C)	B(C[6a]C[6a]2)2(ON[6])(CCH)	N[6](C[6]C[6]CC)2(OB)(H)	O(N[6]C[6]2H)(BC[6a]2C)	B(C[6a]C[6a]2)2(ON[6])(CCH)	N[6](C[6]C[6]CC)2(OB)(H){1|C<4>,4|H<1>}	118.5390	0.000	1	118.5390	0.000	1	118.5390	0.000	1	118.5390	0.000	1	115.8487	5.496	3	115.8487	5.496	3
893	610	856	0:SP3_SP2_SP3	O	B	N[6,6]	3:4:	3:3:3:2:	3:4:2:	N[6,6]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[5,6,6]-3:C[3x6]-4:O-2:	O(N[6,6]C[5,6,6]C[3x6])(BC[6a]3)	B(C[6a]C[6a]2)3(ON[6,6])	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(OB)	O(N[6,6]C[5,6,6]C[3x6])(BC[6a]3)	B(C[6a]C[6a]2)3(ON[6,6])	N[6,6](C[5,6,6]C[5,3x6]C[5])(C[3x6]C[6,6,6a]2H)(OB){1|H<1>,1|S<2>,5|C<3>}	118.1905	0.319	2	118.1905	0.102	2	118.1905	0.102	2	118.1905	0.102	2	118.1905	0.102	2	115.0754	6.581	9
893	610	856	0:SP3_SP2_SP3	O	B	N[6]	3:4:	2:1:1:1:	3:3:2:	N[6]-3:B-4:	O-2:F-1:F-1:F-1:	C[6,6a]-3:C[6]-3:O-2:	O(N[6]C[6,6a]C[6])(BF3)	B(ON[6])(F)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OB)	O(N[6]C[6,6a]C[6])(BF3)	B(ON[6])(F)3	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OB){2|H<1>,3|C<3>}	113.0610	0.000	1	113.0610	0.000	1	113.0610	0.000	1	113.8680	1.302	2	114.1854	4.599	7	115.0754	6.581	9
893	610	856	0:SP3_SP2_SP3	O	B	N[6]	3:4:	2:1:1:1:	3:3:2:	N[6]-3:B-4:	O-2:F-1:F-1:F-1:	C[6]-3:C[6]-3:O-2:	O(N[6]C[6]2)(BF3)	B(ON[6])(F)3	N[6](C[6]C[6]H)2(OB)	O(N[6]C[6]2)(BF3)	B(ON[6])(F)3	N[6](C[6]C[6]H)2(OB){1|C<3>,2|H<1>}	114.6750	0.000	1	114.6750	0.000	1	114.6750	0.000	1	113.8680	1.302	2	114.1854	4.599	7	115.0754	6.581	9
893	610	856	0:SP3_SP2_SP3	O	B	N[6]	3:4:	2:4:1:1:	3:3:2:	N[6]-3:B-4:	O-2:C-4:F-1:F-1:	C[6]-3:C[6]-3:O-2:	O(N[6]C[6]2)(BCFF)	B(ON[6])(CCFF)(F)2	N[6](C[6]C[6]H)2(OB)	O(N[6]C[6]2)(BCFF)	B(ON[6])(CCFF)(F)2	N[6](C[6]C[6]H)2(OB){1|H<1>,2|C<3>}	111.7980	0.000	1	111.7980	0.000	1	112.3690	0.652	2	112.3690	0.652	2	114.1854	4.599	7	115.0754	6.581	9
893	610	856	0:SP3_SP2_SP3	O	B	N[6]	3:4:	2:4:1:1:	3:3:2:	N[6]-3:B-4:	O-2:C-4:F-1:F-1:	C[6]-3:C[6]-3:O-2:	O(N[6]C[6]2)(BCFF)	B(ON[6])(CF3)(F)2	N[6](C[6]C[6]H)2(OB)	O(N[6]C[6]2)(BCFF)	B(ON[6])(CF3)(F)2	N[6](C[6]C[6]H)2(OB){1|H<1>,2|C<3>}	112.9400	0.000	1	112.9400	0.000	1	112.3690	0.652	2	112.3690	0.652	2	114.1854	4.599	7	115.0754	6.581	9
893	610	856	0:SP3_SP2_SP3	O	B	N[6]	3:4:	3:2:2:2:	3:3:2:	N[6]-3:B-4:	C[6a]-3:O-2:O-2:O-2:	C[6]-3:C[6]-3:O-2:	O(N[6]C[6]2)(BC[6a]OO)	B(C[6a]C[6a]2)(ON[6])(OC)2	N[6](C[6]C[6]H)2(OB)	O(N[6]C[6]2)(BC[6a]OO)	B(C[6a]C[6a]2)(ON[6])(OC)2	N[6](C[6]C[6]H)2(OB){1|C<3>,2|H<1>}	114.1575	0.383	2	114.1575	0.146	2	114.1575	0.146	2	114.1575	0.146	2	114.1854	4.599	7	115.0754	6.581	9
893	610	856	0:SP3_SP2_SP3	O	B	N[6]	3:4:	3:3:3:2:	3:3:2:	N[6]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6]-3:C[6]-3:O-2:	O(N[6]C[6]2)(BC[6a]3)	B(C[6a]C[6a]2)3(ON[6])	N[6](C[6]C[6]C)2(OB)	O(N[6]C[6]2)(BC[6a]3)	B(C[6a]C[6a]2)3(ON[6])	N[6](C[6]C[6]C)2(OB){1|C<3>,2|H<1>}	118.5090	0.000	1	118.5090	0.000	1	118.5090	0.000	1	118.5090	0.000	1	114.1854	4.599	7	115.0754	6.581	9
893	610	887	0:SP3_SP3_SP3	O	B	S	4:3:	3:3:3:2:	4:2:1:	B-4:S-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	P-4:O-2:O-1:	O(BC[6a]3)(SOP)	B(C[6a]C[6a]2)3(OS)	S(PC3)(OB)(O)	O(BC[6a]3)(SOP)	B(C[6a]C[6a]2)3(OS)	S(PC3)(OB)(O)	118.1620	0.000	1	118.1620	0.000	1	119.6840	4.633	2	119.6840	4.633	2	119.6840	4.633	2	119.6840	4.633	2
893	610	887	0:SP3_SP3_SP3	O	B	S	4:3:	3:3:3:2:	4:2:1:	B-4:S-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	P-4:O-2:O-1:	O(BC[6a]3)(SOP)	B(C[6a]C[6a]2)3(OS)	S(PC[6]3)(OB)(O)	O(BC[6a]3)(SOP)	B(C[6a]C[6a]2)3(OS)	S(PC[6]3)(OB)(O)	121.2060	0.000	1	121.2060	0.000	1	119.6840	4.633	2	119.6840	4.633	2	119.6840	4.633	2	119.6840	4.633	2
893	610	890	0:SP3_SP3_SP3	O	B	As	4:4:	3:3:3:2:	3:3:3:2:	As-4:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(AsC[6a]3)(BC[6a]3)	B(C[6a]C[6a]2)3(OAs)	As(C[6a]C[6a]2)3(OB)	O(AsC[6a]3)(BC[6a]3)	B(C[6a]C[6a]2)3(OAs)	As(C[6a]C[6a]2)3(OB)	134.0340	0.000	1	134.0340	0.000	1	134.0340	0.000	1	134.0340	0.000	1	134.0340	0.000	1	134.0340	0.000	1
893	610	899	0:SP3_SP-NON_SP3	O	B	C	4:1:	3:2:2:2:	2:	B-4:C-1:	C[6]-3:O-2:O-2:O-2:	O-2:	O(BC[6]OO)(C)	B(C[6]C[6]2)(OC)(ON)2	C(OB)	O(BC[6]OO)(C)	B(C[6]C[6]2)(OC)(ON)2	C(OB)	117.5990	0.000	1	117.5990	0.000	1	117.5990	0.000	1	117.5990	0.000	1	117.5990	0.000	1	117.5990	0.000	1
893	610	902	0:SP2_SP2_SP3	O	B	C[3]	3:4:	3:3:3:2:	4:2:2:	C[3]-3:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	P[3,5]-4:P[3]-2:O-2:	O(C[3]P[3,5]P[3])(BC[6a]3)	B(C[6a]C[6a]2)3(OC[3])	C[3](P[3,5]N[5]2P[3])(P[3]P[3,5])(OB)	O(C[3]P[3,5]P[3])(BC[6a]3)	B(C[6a]C[6a]2)3(OC[3])	C[3](P[3,5]N[5]2P[3])(P[3]P[3,5])(OB){2|C<3>,2|C<4>}	125.0220	0.000	1	125.0220	0.000	1	125.0220	0.000	1	125.0220	0.000	1	125.0220	0.000	1	125.0220	0.000	1
893	610	907	0:SP3_SP3_SP3	O	B	Ge[4]	4:4:	2:1:1:1:	3:3:3:2:	Ge[4]-4:B-4:	O-2:F-1:F-1:F-1:	N[4]-3:N[4]-3:N-3:O-2:	O(Ge[4]N[4]2N)(BF3)	B(OGe[4])(F)3	Ge[4](N[4]C[4]C)2(NSi2)(OB)	O(Ge[4]N[4]2N)(BF3)	B(OGe[4])(F)3	Ge[4](N[4]C[4]C)2(NSi2)(OB){1|C<3>}	129.4490	2.943	2	129.4490	8.661	2	129.4490	8.661	2	129.4490	8.661	2	129.4490	8.661	2	129.4490	8.661	2
893	610	909	0:SP2_SP2_SP3	O	B	S	4:2:	3:3:4:2:	2:1:	B-4:S-2:	C[6a]-3:C[6a]-3:C-4:O-2:	O-2:O-1:	O(BC[6a]2C)(SO)	B(C[6a]C[6a]2)2(CCHH)(OS)	S(OB)(O)	O(BC[6a]2C)(SO)	B(C[6a]C[6a]2)2(CCHH)(OS)	S(OB)(O)	127.4320	1.713	2	127.4320	2.933	2	127.4320	2.933	2	127.4320	2.933	2	127.4320	2.933	2	127.4320	2.933	2
893	610	930	0:SP2_SP2_SP3	O	B	C	3:4:	2:1:1:1:	3:2:1:	C-3:B-4:	O-2:F-1:F-1:F-1:	C[5a]-3:O-2:H-1:	O(CC[5a]H)(BF3)	B(OC)(F)3	C(C[5a]C[5a]N[5a])(OB)(H)	O(CC[5a]H)(BF3)	B(OC)(F)3	C(C[5a]C[5a]N[5a])(OB)(H)	120.5450	0.000	1	120.5450	0.000	1	120.5450	0.000	1	120.5450	0.000	1	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	3:4:	2:2:1:1:	3:3:2:	C-3:B-4:	O-2:O-2:F-1:F-1:	C[6a]-3:C[5]-3:O-2:	O(CC[6a]C[5])(BFFO)	B(OC)2(F)2	C(C[6a]C[6a]2)(C[5]C[5]2)(OB)	O(CC[6a]C[5])(BFFO)	B(OC)2(F)2	C(C[6a]C[6a]2)(C[5]C[5]2)(OB)	123.8615	0.012	2	123.8615	0.000	2	123.8615	0.000	2	123.8615	0.000	2	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	3:4:	4:4:4:2:	3:3:2:	C-3:B-4:	C-4:C-4:C-4:O-2:	C[6a]-3:C-3:O-2:	O(CC[6a]C)(BC3)	B(CCHH)3(OC)	C(C[6a]C[6a]2)(CC[6a]O)(OB)	O(CC[6a]C)(BC3)	B(CCHH)3(OC)	C(C[6a]C[6a]2)(CC[6a]O)(OB)	127.4610	0.000	1	127.4610	0.000	1	127.4610	0.000	1	127.4610	0.000	1	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	2:1:1:1:	3:2:2:	B-4:C-3:	O-2:F-1:F-1:F-1:	C-3:O-2:O-2:	O(BF3)(CCO)	B(OC)(F)3	C(CCH)(OB)(OC)	O(BF3)(CCO)	B(OC)(F)3	C(CCH)(OB)(OC)	127.1230	0.000	1	127.1230	0.000	1	127.1230	0.000	1	127.1230	0.000	1	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	2:1:1:1:	3:3:2:	B-4:C-3:	O-2:F-1:F-1:F-1:	C-3:C-3:O-2:	O(BF3)(CCC)	B(OC)(F)3	C(CCH)2(OB)	O(BF3)(CCC)	B(OC)(F)3	C(CCH)2(OB)	127.2230	0.000	1	127.2230	0.000	1	127.2230	0.000	1	127.2230	0.000	1	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	2:1:1:1:	4:2:2:	B-4:C-3:	O-2:F-1:F-1:F-1:	C-4:O-2:O-2:	O(BF3)(CCO)	B(OC)(F)3	C(CH3)(OB)(OI)	O(BF3)(CCO)	B(OC)(F)3	C(CH3)(OB)(OI)	126.3370	0.000	1	126.3370	0.000	1	126.3370	0.000	1	126.3370	0.000	1	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	2:1:1:1:	4:3:2:	B-4:C-3:	O-2:F-1:F-1:F-1:	C-4:C-3:O-2:	O(BF3)(CCC)	B(OC)(F)3	C(CH3)(CCH)(OB)	O(BF3)(CCC)	B(OC)(F)3	C(CH3)(CCH)(OB)	127.3560	0.000	1	127.3560	0.000	1	127.3560	0.000	1	127.3560	0.000	1	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	2:2:2:2:	2:1:1:	B-4:C-3:	O-2:O-2:O-2:O-2:	O-2:H-1:O-1:	O(BO3)(CHO)	B(OC)4	C(OB)(H)(O)	O(BO3)(CHO)	B(OC)4	C(OB)(H)(O)	121.2120	1.329	3	121.2120	1.766	3	121.2120	1.766	3	121.2120	1.766	3	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	2:2:2:2:	2:2:1:	B-4:C-3:	O-2:O-2:O-2:O-2:	O-2:O-2:H-1:	O(BO3)(CHO)	B(OC)4	C(OPd)(OB)(H)	O(BO3)(CHO)	B(OC)4	C(OPd)(OB)(H)	123.7720	0.000	1	123.7720	0.000	1	123.7720	0.000	1	123.7720	0.000	1	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:2:2:2:	3:2:1:	B-4:C-3:	C[6a]-3:O-2:O-2:O-2:	C[6a]-3:O-2:O-1:	O(BC[6a]OO)(CC[6a]O)	B(C[6a]C[6a]2)(ON[6])(OC)2	C(C[6a]C[6a]2)(OB)(O)	O(BC[6a]OO)(CC[6a]O)	B(C[6a]C[6a]2)(ON[6])(OC)2	C(C[6a]C[6a]2)(OB)(O)	125.8765	0.730	4	125.8765	0.532	4	125.8765	0.532	4	125.8765	0.532	4	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:2:1:	2:1:1:	B-4:C-3:	C[6a]-3:C[6a]-3:O-2:H-1:	O-2:H-1:O-1:	O(BC[6a]2H)(CHO)	B(C[6a]C[6a]2)2(OC)(H)	C(OB)(H)(O)	O(BC[6a]2H)(CHO)	B(C[6a]C[6a]2)2(OC)(H)	C(OB)(H)(O)	120.4920	0.000	1	120.4920	0.000	1	120.4920	0.000	1	120.4920	0.000	1	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:2:1:	2:2:1:	B-4:C-3:	C[6a]-3:C[6a]-3:O-2:H-1:	O-2:O-2:H-1:	O(BC[6a]2H)(CHO)	B(C[6a]C[6a]2)2(OC)(H)	C(OZr)(OB)(H)	O(BC[6a]2H)(CHO)	B(C[6a]C[6a]2)2(OC)(H)	C(OZr)(OB)(H)	120.6860	0.000	1	120.6860	0.000	1	120.6860	0.000	1	120.6860	0.000	1	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:2:2:	4:2:1:	B-4:C-3:	C[6a]-3:C[6a]-3:O-2:O-2:	P-4:O-2:O-1:	O(BC[6a]2O)(COP)	B(C[6a]C[6a]2)2(OB)(OC)	C(PC3)(OB)(O)	O(BC[6a]2O)(COP)	B(C[6a]C[6a]2)2(OB)(OC)	C(PC3)(OB)(O)	120.8710	0.000	1	120.8710	0.000	1	119.7860	2.354	2	119.7860	2.354	2	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:2:2:	4:2:1:	B-4:C-3:	C[6a]-3:C[6a]-3:O-2:O-2:	P-4:O-2:O-1:	O(BC[6a]2O)(COP)	B(C[6a]C[6a]2)2(OC)(OS)	C(PC3)(OB)(O)	O(BC[6a]2O)(COP)	B(C[6a]C[6a]2)2(OC)(OS)	C(PC3)(OB)(O)	118.7010	0.000	1	118.7010	0.000	1	119.7860	2.354	2	119.7860	2.354	2	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	2:1:1:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O-2:H-1:O-1:	O(BC[6a]3)(CHO)	B(C[6a]C[6a]2)3(OC)	C(OB)(H)(O)	O(BC[6a]3)(CHO)	B(C[6a]C[6a]2)3(OC)	C(OB)(H)(O)	123.6820	0.000	1	123.6820	0.000	1	123.6820	0.000	1	123.6820	0.000	1	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	2:2:1:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O-2:O-2:H-1:	O(BC[6a]3)(CHO)	B(C[6a]C[6a]2)3(OC)	C(OB)2(H)	O(BC[6a]3)(CHO)	B(C[6a]C[6a]2)3(OC)	C(OB)2(H)	121.8235	3.678	2	121.8235	13.525	2	123.7103	16.951	6	123.7103	16.951	6	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	2:2:1:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O-2:O-2:H-1:	O(BC[6a]3)(CHO)	B(C[6a]C[6a]2)3(OC)	C(OMg)(OB)(H)	O(BC[6a]3)(CHO)	B(C[6a]C[6a]2)3(OC)	C(OMg)(OB)(H)	118.0320	0.000	1	118.0320	0.000	1	123.7103	16.951	6	123.7103	16.951	6	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	2:2:1:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O-2:O-2:H-1:	O(BC[6a]3)(CHO)	B(C[6a]C[6a]2)3(OC)	C(ONi)(OB)(H)	O(BC[6a]3)(CHO)	B(C[6a]C[6a]2)3(OC)	C(ONi)(OB)(H)	128.0130	0.000	1	128.0130	0.000	1	123.7103	16.951	6	123.7103	16.951	6	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	2:2:1:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O-2:O-2:H-1:	O(BC[6a]3)(CHO)	B(C[6a]C[6a]2)3(OC)	C(ORe)(OB)(H)	O(BC[6a]3)(CHO)	B(C[6a]C[6a]2)3(OC)	C(ORe)(OB)(H)	126.5050	0.000	1	126.5050	0.000	1	123.7103	16.951	6	123.7103	16.951	6	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	2:2:1:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O-2:O-2:H-1:	O(BC[6a]3)(CHO)	B(C[6a]C[6a]2)3(OC)	C(OSi)(OB)(H)	O(BC[6a]3)(CHO)	B(C[6a]C[6a]2)3(OC)	C(OSi)(OB)(H)	126.0650	0.000	1	126.0650	0.000	1	123.7103	16.951	6	123.7103	16.951	6	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	2:2:2:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O-2:O-2:P-2:	O(BC[6a]3)(COP)	B(C[6a]C[6a]2)3(OC)	C(OSi)(OB)(PC)	O(BC[6a]3)(COP)	B(C[6a]C[6a]2)3(OC)	C(OSi)(OB)(PC)	129.9150	0.000	1	129.9150	0.000	1	129.9150	0.000	1	129.9150	0.000	1	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	3:2:1:	B-4:C-3:	C[6a]-3:C[6a]-3:C-3:O-2:	C[6a]-3:O-2:H-1:	O(BC[6a]2C)(CC[6a]H)	B(C[6a]C[6a]2)2(CC[6a]C)(OC)	C(C[6a]C[6a]2)(OB)(H)	O(BC[6a]2C)(CC[6a]H)	B(C[6a]C[6a]2)2(CC[6a]C)(OC)	C(C[6a]C[6a]2)(OB)(H)	123.4650	0.000	1	123.4650	0.000	1	123.4650	0.000	1	123.5804	9.195	14	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	3:2:1:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[5]-3:O-2:O-1:	O(BC[6a]3)(CC[5]O)	B(C[6a]C[6a]2)3(OC)	C(C[5]N[5]2)(OB)(O)	O(BC[6a]3)(CC[5]O)	B(C[6a]C[6a]2)3(OC)	C(C[5]N[5]2)(OB)(O)	128.3895	2.976	2	128.3895	8.858	2	128.3895	8.858	2	123.5804	9.195	14	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	3:2:1:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:H-1:	O(BC[6a]3)(CC[6a]H)	B(C[6a]C[6a]2)3(OC)	C(C[6a]C[6a]2)(OB)(H)	O(BC[6a]3)(CC[6a]H)	B(C[6a]C[6a]2)3(OC)	C(C[6a]C[6a]2)(OB)(H)	125.2350	0.000	1	125.2350	0.000	1	125.2350	0.000	1	123.5804	9.195	14	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	3:2:1:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-1:	O(BC[6a]3)(CC[6a]O)	B(C[6a]C[6a]2)3(OC)	C(C[6a]C[6a]2)(OB)(O)	O(BC[6a]3)(CC[6a]O)	B(C[6a]C[6a]2)3(OC)	C(C[6a]C[6a]2)(OB)(O)	123.8373	2.847	3	123.8373	8.105	3	123.8373	8.105	3	123.5804	9.195	14	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	3:2:1:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	N-3:O-2:H-1:	O(BC[6a]3)(CHN)	B(C[6a]C[6a]2)3(OC)	C(NCC)(OB)(H)	O(BC[6a]3)(CHN)	B(C[6a]C[6a]2)3(OC)	C(NCC)(OB)(H)	119.0240	0.000	1	119.0240	0.000	1	119.0240	0.000	1	123.5804	9.195	14	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	3:2:1:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	N-3:O-2:O-1:	O(BC[6a]3)(CNO)	B(C[6a]C[6a]2)3(OC)	C(NCC)(OB)(O)	O(BC[6a]3)(CNO)	B(C[6a]C[6a]2)3(OC)	C(NCC)(OB)(O)	123.2480	1.556	2	123.2480	2.420	2	123.6763	1.760	3	123.5804	9.195	14	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	3:2:1:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	N-3:O-2:O-1:	O(BC[6a]3)(CNO)	B(C[6a]C[6a]2)3(OC)	C(NC[6a]P)(OB)(O)	O(BC[6a]3)(CNO)	B(C[6a]C[6a]2)3(OC)	C(NC[6a]P)(OB)(O)	124.5330	0.000	1	124.5330	0.000	1	123.6763	1.760	3	123.5804	9.195	14	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	3:2:1:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	N[5a]-3:O-2:O-1:	O(BC[6a]3)(CN[5a]O)	B(C[6a]C[6a]2)3(OC)	C(N[5a]C[5a,6a]2)(OB)(O)	O(BC[6a]3)(CN[5a]O)	B(C[6a]C[6a]2)3(OC)	C(N[5a]C[5a,6a]2)(OB)(O)	121.8950	0.000	1	121.8950	0.000	1	121.8950	0.000	1	123.5804	9.195	14	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	3:2:1:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	N[6]-3:O-2:O-1:	O(BC[6a]3)(CN[6]O)	B(C[6a]C[6a]2)3(OC)	C(N[6]C[6]2)(OB)(O)	O(BC[6a]3)(CN[6]O)	B(C[6a]C[6a]2)3(OC)	C(N[6]C[6]2)(OB)(O)	120.9590	0.000	1	120.9590	0.000	1	120.9590	0.000	1	123.5804	9.195	14	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	3:2:1:	B-4:C-3:	C[6a]-3:C[6a]-3:N[6]-3:O-2:	C[6a]-3:O-2:O-1:	O(BC[6a]2N[6])(CC[6a]O)	B(C[6a]C[6a]2)2(N[6]C[6]2)(OC)	C(C[6a]C[6a]2)(OB)(O)	O(BC[6a]2N[6])(CC[6a]O)	B(C[6a]C[6a]2)2(N[6]C[6]2)(OC)	C(C[6a]C[6a]2)(OB)(O)	120.2270	0.000	1	120.2270	0.000	1	120.2270	0.000	1	123.5804	9.195	14	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	3:2:2:	B-4:C-3:	C[6a]-3:C[6a]-3:C-3:O-2:	C-3:C-2:O-2:	O(BC[6a]2C)(CCC)	B(C[6a]C[6a]2)2(CCH)(OC)	C(CHH)(CC)(OB)	O(BC[6a]2C)(CCC)	B(C[6a]C[6a]2)2(CCH)(OC)	C(CHH)(CC)(OB)	128.2060	4.777	2	128.2060	22.822	2	128.2060	22.822	2	128.6644	8.935	9	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	3:2:2:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6]-3:O-2:	C[5]-3:O-2:O-2:	O(BC[6a]2C[6])(CC[5]O)	B(C[6a]C[6a]2)2(C[6]C[6]2)(OC)	C(C[5]C[5]P[5])(OB)(OC)	O(BC[6a]2C[6])(CC[5]O)	B(C[6a]C[6a]2)2(C[6]C[6]2)(OC)	C(C[5]C[5]P[5])(OB)(OC)	129.6450	0.000	1	129.6450	0.000	1	129.6450	0.000	1	128.6644	8.935	9	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	3:2:2:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C-3:O-2:O-2:	O(BC[6a]3)(CCO)	B(C[6a]C[6a]2)3(OC)	C(CHN)(OB)(OC)	O(BC[6a]3)(CCO)	B(C[6a]C[6a]2)3(OC)	C(CHN)(OB)(OC)	126.2770	0.000	1	126.2770	0.000	1	126.2770	0.000	1	128.6644	8.935	9	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	3:2:2:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[5]-3:O-2:O-2:	O(BC[6a]3)(CC[5]O)	B(C[6a]C[6a]2)3(OC)	C(C[5]C[5]P[5])(OB)(OC)	O(BC[6a]3)(CC[5]O)	B(C[6a]C[6a]2)3(OC)	C(C[5]C[5]P[5])(OB)(OC)	129.7900	0.000	1	129.7900	0.000	1	129.7900	0.000	1	128.6644	8.935	9	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	3:2:2:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6]-3:O-2:O-2:	O(BC[6a]3)(CC[6]O)	B(C[6a]C[6a]2)3(OC)	C(C[6]C[3,6]P[6])(OB)(OC)	O(BC[6a]3)(CC[6]O)	B(C[6a]C[6a]2)3(OC)	C(C[6]C[3,6]P[6])(OB)(OC)	133.7670	0.000	1	133.7670	0.000	1	133.7670	0.000	1	128.6644	8.935	9	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	3:2:2:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-2:	O(BC[6a]3)(CC[6a]O)	B(C[6a]C[6a]2)3(OC)	C(C[6a]C[6a]2)(OFe)(OB)	O(BC[6a]3)(CC[6a]O)	B(C[6a]C[6a]2)3(OC)	C(C[6a]C[6a]2)(OFe)(OB)	125.5980	0.000	1	125.5980	0.000	1	125.5980	0.000	1	128.6644	8.935	9	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	3:2:2:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	N-3:O-2:O-2:	O(BC[6a]3)(CNO)	B(C[6a]C[6a]2)3(OC)	C(NC[6a]C)(OSi)(OB)	O(BC[6a]3)(CNO)	B(C[6a]C[6a]2)3(OC)	C(NC[6a]C)(OSi)(OB)	129.7490	0.000	1	129.7490	0.000	1	129.7490	0.000	1	128.6644	8.935	9	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	3:2:2:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	P-3:O-2:O-2:	O(BC[6a]3)(COP)	B(C[6a]C[6a]2)3(OC)	C(PSi2)(OSi)(OB)	O(BC[6a]3)(COP)	B(C[6a]C[6a]2)3(OC)	C(PSi2)(OSi)(OB)	126.7420	0.000	1	126.7420	0.000	1	126.7420	0.000	1	128.6644	8.935	9	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	3:3:2:	B-4:C-3:	C[6a]-3:C-3:N-3:O-2:	C-3:N-3:O-2:	O(BC[6a]CN)(CCN)	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]C)(OC)	C(CC[6a]C)(NC[6a]B)(OB)	O(BC[6a]CN)(CCN)	B(C[6a]C[6a]2)(CC[6a]C)(NC[6a]C)(OC)	C(CC[6a]C)(NC[6a]B)(OB)	120.0370	0.000	1	120.0370	0.000	1	120.0370	0.000	1	128.4194	41.427	8	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	3:3:2:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:O-2:	O(BC[6a]3)(CC[6a]C)	B(C[6a]C[6a]2)3(OC)	C(C[6a]C[6a]2)(CCH)(OB)	O(BC[6a]3)(CC[6a]C)	B(C[6a]C[6a]2)3(OC)	C(C[6a]C[6a]2)(CCH)(OB)	126.7355	0.885	4	126.7355	0.782	4	126.2980	1.544	5	128.4194	41.427	8	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	3:3:2:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C-3:O-2:	O(BC[6a]3)(CC[6a]C)	B(C[6a]C[6a]2)3(OC)	C(C[6a]C[6a]2)(CHH)(OB)	O(BC[6a]3)(CC[6a]C)	B(C[6a]C[6a]2)3(OC)	C(C[6a]C[6a]2)(CHH)(OB)	124.5480	0.000	1	124.5480	0.000	1	126.2980	1.544	5	128.4194	41.427	8	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	3:3:2:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-3:O-2:	O(BC[6a]3)(CC[6a]N)	B(C[6a]C[6a]2)3(OC)	C(C[6a]C[6a]2)(NC[6a]Ni)(OB)	O(BC[6a]3)(CC[6a]N)	B(C[6a]C[6a]2)3(OC)	C(C[6a]C[6a]2)(NC[6a]Ni)(OB)	135.5950	0.000	1	135.5950	0.000	1	137.9140	10.756	2	128.4194	41.427	8	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	3:3:2:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N-3:O-2:	O(BC[6a]3)(CC[6a]N)	B(C[6a]C[6a]2)3(OC)	C(C[6a]C[6a]2)(NNiC)(OB)	O(BC[6a]3)(CC[6a]N)	B(C[6a]C[6a]2)3(OC)	C(C[6a]C[6a]2)(NNiC)(OB)	140.2330	0.000	1	140.2330	0.000	1	137.9140	10.756	2	128.4194	41.427	8	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	4:2:1:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C-4:O-2:H-1:	O(BC[6a]3)(CCH)	B(C[6a]C[6a]2)3(OC)	C(CCHH)(OB)(H)	O(BC[6a]3)(CCH)	B(C[6a]C[6a]2)3(OC)	C(CCHH)(OB)(H)	128.3720	0.000	1	128.3720	0.000	1	128.3720	0.000	1	124.0994	14.218	13	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	4:2:1:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C-4:O-2:O-1:	O(BC[6a]3)(CCO)	B(C[6a]C[6a]2)3(OC)	C(CCHH)(OB)(O)	O(BC[6a]3)(CCO)	B(C[6a]C[6a]2)3(OC)	C(CCHH)(OB)(O)	122.5703	1.852	4	122.5703	3.431	4	124.2126	16.060	5	124.0994	14.218	13	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	4:2:1:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C-4:O-2:O-1:	O(BC[6a]3)(CCO)	B(C[6a]C[6a]2)3(OC)	C(CH3)(OB)(O)	O(BC[6a]3)(CCO)	B(C[6a]C[6a]2)3(OC)	C(CH3)(OB)(O)	130.7820	0.000	1	130.7820	0.000	1	124.2126	16.060	5	124.0994	14.218	13	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	4:2:1:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[5]-4:O-2:H-1:	O(BC[6a]3)(CC[5]H)	B(C[6a]C[6a]2)3(OC)	C(C[5]C[5]2Fe)(OB)(H)	O(BC[6a]3)(CC[5]H)	B(C[6a]C[6a]2)3(OC)	C(C[5]C[5]2Fe)(OB)(H)	127.1760	0.000	1	127.1760	0.000	1	127.1760	0.000	1	124.0994	14.218	13	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	4:2:1:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	N-4:O-2:O-1:	O(BC[6a]3)(CNO)	B(C[6a]C[6a]2)3(OC)	C(NC3)(OB)(O)	O(BC[6a]3)(CNO)	B(C[6a]C[6a]2)3(OC)	C(NC3)(OB)(O)	121.5330	0.000	1	121.5330	0.000	1	121.5330	0.000	1	124.0994	14.218	13	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	4:2:1:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	P-4:O-2:O-1:	O(BC[6a]3)(COP)	B(C[6a]C[6a]2)3(OC)	C(PCCN)(OB)(O)	O(BC[6a]3)(COP)	B(C[6a]C[6a]2)3(OC)	C(PCCN)(OB)(O)	121.5960	0.000	1	121.5960	0.000	1	120.2047	2.505	3	124.0994	14.218	13	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	4:2:1:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	P-4:O-2:O-1:	O(BC[6a]3)(COP)	B(C[6a]C[6a]2)3(OC)	C(PC[6a]2C)(OB)(O)	O(BC[6a]3)(COP)	B(C[6a]C[6a]2)3(OC)	C(PC[6a]2C)(OB)(O)	120.5350	0.000	1	120.5350	0.000	1	120.2047	2.505	3	124.0994	14.218	13	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	4:2:1:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	P-4:O-2:O-1:	O(BC[6a]3)(COP)	B(C[6a]C[6a]2)3(OC)	C(PC[6a]C[6]2)(OB)(O)	O(BC[6a]3)(COP)	B(C[6a]C[6a]2)3(OC)	C(PC[6a]C[6]2)(OB)(O)	118.4830	0.000	1	118.4830	0.000	1	120.2047	2.505	3	124.0994	14.218	13	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	4:2:1:	B-4:C-3:	N[5]-3:N[5]-3:N[5]-3:O-2:	C-4:O-2:O-1:	O(BN[5]3)(CCO)	B(N[5]C[5]2)3(OC)	C(CH3)(OB)(O)	O(BN[5]3)(CCO)	B(N[5]C[5]2)3(OC)	C(CH3)(OB)(O)	127.2670	1.191	2	127.2670	1.418	2	127.2670	1.418	2	124.0994	14.218	13	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:3:2:	4:2:2:	B-4:C-3:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C-4:O-2:O-2:	O(BC[6a]3)(CCO)	B(C[6a]C[6a]2)3(OC)	C(CCHH)(OB)(OC)	O(BC[6a]3)(CCO)	B(C[6a]C[6a]2)3(OC)	C(CCHH)(OB)(OC)	128.6700	5.926	2	128.6700	35.112	2	128.6700	35.112	2	128.6700	35.112	2	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:4:2:	3:2:1:	B-4:C-3:	C[6a]-3:C[6a]-3:C-4:O-2:	C-3:O-2:H-1:	O(BC[6a]2C)(CCH)	B(C[6a]C[6a]2)2(CCHH)(OC)	C(CCH)(OB)(H)	O(BC[6a]2C)(CCH)	B(C[6a]C[6a]2)2(CCHH)(OC)	C(CCH)(OB)(H)	123.2040	0.000	1	123.2040	0.000	1	123.2040	0.000	1	122.7520	0.409	2	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:4:2:	3:2:1:	B-4:C-3:	C[6a]-3:C[6a]-3:N-4:O-2:	C[6a]-3:O-2:O-1:	O(BC[6a]2N)(CC[6a]O)	B(C[6a]C[6a]2)2(NCHH)(OC)	C(C[6a]C[6a]2)(OB)(O)	O(BC[6a]2N)(CC[6a]O)	B(C[6a]C[6a]2)2(NCHH)(OC)	C(C[6a]C[6a]2)(OB)(O)	122.3000	0.000	1	122.3000	0.000	1	122.3000	0.000	1	122.7520	0.409	2	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:4:2:	3:3:2:	B-4:C-3:	C[6a]-3:C[6a]-3:C[5]-4:O-2:	C[6a]-3:C-3:O-2:	O(BC[6a]2C[5])(CC[6a]C)	B(C[6a]C[6a]2)2(C[5]C[5]2H)(OC)	C(C[6a]C[6a]2)(CCH)(OB)	O(BC[6a]2C[5])(CC[6a]C)	B(C[6a]C[6a]2)2(C[5]C[5]2H)(OC)	C(C[6a]C[6a]2)(CCH)(OB)	125.2370	0.000	1	125.2370	0.000	1	125.2370	0.000	1	125.2370	0.000	1	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:4:2:	4:2:1:	B-4:C-3:	C[6a]-3:C[6a]-3:N-4:O-2:	C-4:O-2:O-1:	O(BC[6a]2N)(CCO)	B(C[6a]C[6a]2)2(NCHH)(OC)	C(CCHH)(OB)(O)	O(BC[6a]2N)(CCO)	B(C[6a]C[6a]2)2(NCHH)(OC)	C(CCHH)(OB)(O)	122.6193	2.371	3	122.6193	5.621	3	122.6193	5.621	3	122.6193	5.621	3	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:3:4:2:	4:2:2:	B-4:C-3:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:C-2:O-2:	O(BC[6a]2C)(CCC)	B(C[6a]C[6a]2)2(CCHH)(OC)	C(CH3)(CC)(OB)	O(BC[6a]2C)(CCC)	B(C[6a]C[6a]2)2(CCHH)(OC)	C(CH3)(CC)(OB)	122.4140	0.000	1	122.4140	0.000	1	122.4140	0.000	1	122.4140	0.000	1	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	3:4:4:2:	3:2:1:	B-4:C-3:	N[6]-3:C-4:C-4:O-2:	C[6a]-3:O-2:O-1:	O(BN[6]CC)(CC[6a]O)	B(N[6]C[6]2)(CCHH)2(OC)	C(C[6a]C[6a]2)(OB)(O)	O(BN[6]CC)(CC[6a]O)	B(N[6]C[6]2)(CCHH)2(OC)	C(C[6a]C[6a]2)(OB)(O)	122.0190	1.003	2	122.0190	1.005	2	122.0190	1.005	2	122.0190	1.005	2	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	4:2:1:1:	2:2:1:	B-4:C-3:	N-4:O-2:H-1:H-1:	O-2:O-2:H-1:	O(BHHN)(CHO)	B(NC3)(OC)(H)2	C(OAl)(OB)(H)	O(BHHN)(CHO)	B(NC3)(OC)(H)2	C(OAl)(OB)(H)	119.6350	0.000	1	119.6350	0.000	1	119.6350	0.000	1	119.6350	0.000	1	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	4:2:1:1:	4:2:1:	B-4:C-3:	N-4:O-2:H-1:H-1:	C-4:O-2:O-1:	O(BHHN)(CCO)	B(NH3)(OC)(H)2	C(CClHH)(OB)(O)	O(BHHN)(CCO)	B(NH3)(OC)(H)2	C(CClHH)(OB)(O)	118.1990	0.000	1	118.1990	0.000	1	118.1990	0.000	1	118.1990	0.000	1	124.7150	16.630	86	124.7150	16.630	86
893	610	930	0:SP2_SP2_SP3	O	B	C	4:3:	4:4:4:2:	4:2:1:	B-4:C-3:	C-4:C-4:C-4:O-2:	B-4:O-2:O-1:	O(BC3)(CBO)	B(CCHH)3(OC)	C(BC[6a]C[5]2)(OB)(O)	O(BC3)(CBO)	B(CCHH)3(OC)	C(BC[6a]C[5]2)(OB)(O)	125.2250	0.000	1	125.2250	0.000	1	125.2250	0.000	1	125.2250	0.000	1	124.7150	16.630	86	124.7150	16.630	86
893	610	941	0:SP2_SP2_SP3	O	B	N	4:2:	3:2:1:1:	2:1:	B-4:N-2:	C[5]-3:O-2:H-1:H-1:	O-2:O-1:	O(BC[5]HH)(NO)	B(C[5]N[5]2)(ON)(H)2	N(OB)(O)	O(BC[5]HH)(NO)	B(C[5]N[5]2)(ON)(H)2	N(OB)(O)	108.1520	0.000	1	108.1520	0.000	1	108.1520	0.000	1	108.1520	0.000	1	112.7131	6.935	14	112.7131	6.935	14
893	610	941	0:SP2_SP2_SP3	O	B	N	4:2:	3:3:3:2:	2:2:	B-4:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	N-2:O-2:	O(BC[6a]3)(NN)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(ON)	N(NP)(OB)	O(BC[6a]3)(NN)	B(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)2(ON)	N(NP)(OB)	109.4010	0.000	1	109.4010	0.000	1	112.6784	5.176	8	112.6784	5.176	8	112.7131	6.935	14	112.7131	6.935	14
893	610	941	0:SP2_SP2_SP3	O	B	N	4:2:	3:3:3:2:	2:2:	B-4:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	N-2:O-2:	O(BC[6a]3)(NN)	B(C[6a]C[6a]2)3(ON)	N(NC[5])(OB)	O(BC[6a]3)(NN)	B(C[6a]C[6a]2)3(ON)	N(NC[5])(OB)	114.7740	0.508	2	114.7740	0.258	2	112.6784	5.176	8	112.6784	5.176	8	112.7131	6.935	14	112.7131	6.935	14
893	610	941	0:SP2_SP2_SP3	O	B	N	4:2:	3:3:3:2:	2:2:	B-4:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	N-2:O-2:	O(BC[6a]3)(NN)	B(C[6a]C[6a]2)3(ON)	N(NP)(OB)	O(BC[6a]3)(NN)	B(C[6a]C[6a]2)3(ON)	N(NP)(OB)	112.4956	2.017	5	112.4956	4.070	5	112.6784	5.176	8	112.6784	5.176	8	112.7131	6.935	14	112.7131	6.935	14
893	610	941	0:SP2_SP2_SP3	O	B	N	4:2:	3:3:3:2:	3:2:	B-4:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C-3:O-2:	O(BC[6a]3)(NC)	B(C[6a]C[6a]2)3(ON)	N(CC[6a]P)(OB)	O(BC[6a]3)(NC)	B(C[6a]C[6a]2)3(ON)	N(CC[6a]P)(OB)	113.9895	2.974	4	113.9895	8.843	4	113.9895	8.843	4	113.6808	7.108	5	112.7131	6.935	14	112.7131	6.935	14
893	610	941	0:SP2_SP2_SP3	O	B	N	4:2:	3:3:3:2:	3:2:	B-4:N-2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[5]-3:O-2:	O(BC[6a]3)(NC[5])	B(C[6a]C[6a]2)3(ON)	N(C[5]N[5]2)(OB)	O(BC[6a]3)(NC[5])	B(C[6a]C[6a]2)3(ON)	N(C[5]N[5]2)(OB)	112.4460	0.000	1	112.4460	0.000	1	112.4460	0.000	1	113.6808	7.108	5	112.7131	6.935	14	112.7131	6.935	14
893	610	945	0:SP3_SP3_SP3	O	B	P	4:3:	3:3:3:2:	3:3:2:	B-4:P-3:	C[6a]-3:C[6a]-3:N[6]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(BC[6a]2N[6])(PC[6a]2)	B(C[6a]C[6a]2)2(N[6]C[6]2)(OP)	P(C[6a]C[6a]2)2(OB)	O(BC[6a]2N[6])(PC[6a]2)	B(C[6a]C[6a]2)2(N[6]C[6]2)(OP)	P(C[6a]C[6a]2)2(OB)	127.4060	0.000	1	127.4060	0.000	1	127.4060	0.000	1	127.4060	0.000	1	127.4060	0.000	1	127.4060	0.000	1
893	610	951	0:SP3_SP-NON_SP3	O	B	H	4:1:	3:2:2:2:	2:	B-4:H-1:	C[6a]-3:O-2:O-2:O-2:	O-2:	O(BC[6a]OO)(H)	B(C[6a]C[6a]2)(OH)(ON)2	H(OB)	O(BC[6a]OO)(H)	B(C[6a]C[6a]2)(OH)(ON)2	H(OB)	110.8210	0.000	1	110.8210	0.000	1	111.6075	0.580	4	111.6075	0.580	4	110.6773	15.331	23	110.6773	15.331	23
893	610	951	0:SP3_SP-NON_SP3	O	B	H	4:1:	3:2:2:2:	2:	B-4:H-1:	C[6a]-3:O-2:O-2:O-2:	O-2:	O(BC[6a]OO)(H)	B(C[6a]C[6a]2)(OH)3	H(OB)	O(BC[6a]OO)(H)	B(C[6a]C[6a]2)(OH)3	H(OB)	111.8697	0.677	3	111.8697	0.458	3	111.6075	0.580	4	111.6075	0.580	4	110.6773	15.331	23	110.6773	15.331	23
893	610	951	0:SP3_SP-NON_SP3	O	B	H	4:1:	3:3:3:2:	2:	B-4:H-1:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O-2:	O(BC[6a]3)(H)	B(C[6a]C[6a]2)3(OH)	H(OB)	O(BC[6a]3)(H)	B(C[6a]C[6a]2)3(OH)	H(OB)	110.1945	4.442	17	110.1945	19.730	17	110.1945	19.730	17	110.1945	19.730	17	110.6773	15.331	23	110.6773	15.331	23
893	610	951	0:SP3_SP-NON_SP3	O	B	H	4:1:	3:3:4:2:	2:	B-4:H-1:	C[6a]-3:C[6a]-3:C-4:O-2:	O-2:	O(BC[6a]2C)(H)	B(C[6a]C[6a]2)2(CCHH)(OH)	H(OB)	O(BC[6a]2C)(H)	B(C[6a]C[6a]2)2(CCHH)(OH)	H(OB)	114.0120	0.000	1	114.0120	0.000	1	114.0120	0.000	1	112.9200	2.385	2	110.6773	15.331	23	110.6773	15.331	23
893	610	951	0:SP3_SP-NON_SP3	O	B	H	4:1:	3:3:4:2:	2:	B-4:H-1:	C[6a]-3:C[6a]-3:N-4:O-2:	O-2:	O(BC[6a]2N)(H)	B(C[6a]C[6a]2)2(NCHH)(OH)	H(OB)	O(BC[6a]2N)(H)	B(C[6a]C[6a]2)2(NCHH)(OH)	H(OB)	111.8280	0.000	1	111.8280	0.000	1	111.8280	0.000	1	112.9200	2.385	2	110.6773	15.331	23	110.6773	15.331	23
893	610	952	0:SP3_SP3_SP3	O	B	S	4:4:	3:2:1:1:	4:2:1:1:	B-4:S-4:	C[5]-3:O-2:Cl-1:Cl-1:	C-4:O-2:O-1:O-1:	O(BC[5]Cl2)(SCOO)	B(C[5]N[5]2)(OS)(Cl)2	S(CF3)(OB)(O)2	O(BC[5]Cl2)(SCOO)	B(C[5]N[5]2)(OS)(Cl)2	S(CF3)(OB)(O)2	129.2600	0.000	1	129.2600	0.000	1	129.2600	0.000	1	127.9850	3.251	2	129.0280	20.466	11	129.0280	20.466	11
893	610	952	0:SP3_SP3_SP3	O	B	S	4:4:	3:2:1:1:	4:2:1:1:	B-4:S-4:	C[5]-3:O-2:H-1:H-1:	C-4:O-2:O-1:O-1:	O(BC[5]HH)(SCOO)	B(C[5]C[5]N[5])(OS)(H)2	S(CF3)(OB)(O)2	O(BC[5]HH)(SCOO)	B(C[5]C[5]N[5])(OS)(H)2	S(CF3)(OB)(O)2	126.7100	0.000	1	126.7100	0.000	1	126.7100	0.000	1	127.9850	3.251	2	129.0280	20.466	11	129.0280	20.466	11
893	610	952	0:SP3_SP3_SP3	O	B	S	4:4:	3:3:2:1:	4:2:1:1:	B-4:S-4:	C[5]-3:C[5]-3:O-2:H-1:	C-4:O-2:O-1:O-1:	O(BC[5]2H)(SCOO)	B(C[5]C[5]N[5])(C[5]N[5]2)(OS)(H)	S(CF3)(OB)(O)2	O(BC[5]2H)(SCOO)	B(C[5]C[5]N[5])(C[5]N[5]2)(OS)(H)	S(CF3)(OB)(O)2	120.0230	0.000	1	120.0230	0.000	1	120.0230	0.000	1	120.0230	0.000	1	129.0280	20.466	11	129.0280	20.466	11
893	610	952	0:SP3_SP3_SP3	O	B	S	4:4:	3:3:2:2:	4:2:1:1:	B-4:S-4:	C[6a]-3:C[6a]-3:O-2:O-2:	C-4:O-2:O-1:O-1:	O(BC[6a]2O)(SCOO)	B(C[6a]C[6a]2)2(OC)(OS)	S(CF3)(OB)(O)2	O(BC[6a]2O)(SCOO)	B(C[6a]C[6a]2)2(OC)(OS)	S(CF3)(OB)(O)2	135.6090	0.000	1	135.6090	0.000	1	135.6090	0.000	1	135.6090	0.000	1	129.0280	20.466	11	129.0280	20.466	11
893	610	952	0:SP3_SP3_SP3	O	B	S	4:4:	3:3:3:2:	3:2:2:1:	S-4:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:O-2:O-2:O-1:	O(SC[6a]OO)(BC[6a]3)	B(C[6a]C[6a]2)3(OS)	S(C[6a]C[6a]2)(OPd)(OB)(O)	O(SC[6a]OO)(BC[6a]3)	B(C[6a]C[6a]2)3(OS)	S(C[6a]C[6a]2)(OPd)(OB)(O)	126.6605	1.985	2	126.6605	3.940	2	126.6605	3.940	2	126.6605	3.940	2	129.0280	20.466	11	129.0280	20.466	11
893	610	952	0:SP3_SP3_SP3	O	B	S	4:4:	3:3:3:2:	4:2:1:1:	B-4:S-4:	C[6a]-3:C[6a]-3:C-3:O-2:	C-4:O-2:O-1:O-1:	O(BC[6a]2C)(SCOO)	B(C[6a]C[6a]2)2(CCH)(OS)	S(CF3)(OB)(O)2	O(BC[6a]2C)(SCOO)	B(C[6a]C[6a]2)2(CCH)(OS)	S(CF3)(OB)(O)2	128.7850	0.000	1	128.7850	0.000	1	128.7850	0.000	1	128.9255	0.039	2	129.0280	20.466	11	129.0280	20.466	11
893	610	952	0:SP3_SP3_SP3	O	B	S	4:4:	3:3:3:2:	4:2:1:1:	B-4:S-4:	O[5]-3:C-3:C-3:O-2:	C-4:O-2:O-1:O-1:	O(BO[5]CC)(SCOO)	B(O[5]C[5]2)(CC[6a]C)2(OS)	S(CF3)(OB)(O)2	O(BO[5]CC)(SCOO)	B(O[5]C[5]2)(CC[6a]C)2(OS)	S(CF3)(OB)(O)2	129.0660	0.000	1	129.0660	0.000	1	129.0660	0.000	1	128.9255	0.039	2	129.0280	20.466	11	129.0280	20.466	11
893	610	952	0:SP3_SP3_SP3	O	B	S	4:4:	3:3:4:2:	4:2:1:1:	B-4:S-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C-4:O-2:O-1:O-1:	O(BC[6a]2C)(SCOO)	B(C[6a]C[6a]2)2(CCHP)(OS)	S(CF3)(OB)(O)2	O(BC[6a]2C)(SCOO)	B(C[6a]C[6a]2)2(CCHP)(OS)	S(CF3)(OB)(O)2	136.5840	0.000	1	136.5840	0.000	1	136.5840	0.000	1	136.5840	0.000	1	129.0280	20.466	11	129.0280	20.466	11
893	610	952	0:SP3_SP3_SP3	O	B	S	4:4:	3:4:4:2:	4:2:1:1:	B-4:S-4:	C[5]-3:C-4:C-4:O-2:	C-4:O-2:O-1:O-1:	O(BC[5]CC)(SCOO)	B(C[5]C[5]N[5])(CCHH)2(OS)	S(CF3)(OB)(O)2	O(BC[5]CC)(SCOO)	B(C[5]C[5]N[5])(CCHH)2(OS)	S(CF3)(OB)(O)2	130.5830	0.000	1	130.5830	0.000	1	130.5830	0.000	1	130.5830	0.000	1	129.0280	20.466	11	129.0280	20.466	11
893	610	952	0:SP3_SP3_SP3	O	B	S	4:4:	4:2:1:1:	4:2:1:1:	B-4:S-4:	N-4:O-2:H-1:H-1:	C-4:O-2:O-1:O-1:	O(BHHN)(SCOO)	B(NC3)(OS)(H)2	S(CC[5,5,6]HH)(OB)(O)2	O(BHHN)(SCOO)	B(NC3)(OS)(H)2	S(CC[5,5,6]HH)(OB)(O)2	129.3670	0.000	1	129.3670	0.000	1	129.3670	0.000	1	129.3670	0.000	1	129.0280	20.466	11	129.0280	20.466	11
893	610	983	0:SP3_SP1_SP3	O	B	C	4:2:	3:3:3:2:	2:2:	B-4:C-2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C-2:O-2:	O(BC[6a]3)(CC)	B(C[6a]C[6a]2)3(OC)	C(CP)(OB)	O(BC[6a]3)(CC)	B(C[6a]C[6a]2)3(OC)	C(CP)(OB)	122.4420	0.000	1	122.4420	0.000	1	122.4420	0.000	1	122.4420	0.000	1	122.4420	0.000	1	122.4420	0.000	1
893	610	992	0:SP3_SP3_SP3	O	B	P	4:4:	2:1:1:1:	4:4:2:1:	P-4:B-4:	O-2:F-1:F-1:F-1:	C-4:C-4:O-2:H-1:	O(PCCH)(BF3)	B(OP)(F)3	P(CC3)(CH3)(OB)(H)	O(PCCH)(BF3)	B(OP)(F)3	P(CC3)(CH3)(OB)(H)	125.9900	0.000	1	125.9900	0.000	1	125.9900	0.000	1	125.9900	0.000	1	137.5301	125.719	29	137.5301	125.719	29
893	610	992	0:SP3_SP3_SP3	O	B	P	4:4:	3:2:2:2:	4:4:4:2:	B-4:P-4:	C[6a]-3:O-2:O-2:O-2:	C-4:C-4:C-4:O-2:	O(BC[6a]OO)(PC3)	B(C[6a]C[6a]2)(OC[6a])2(OP)	P(CCHH)3(OB)	O(BC[6a]OO)(PC3)	B(C[6a]C[6a]2)(OC[6a])2(OP)	P(CCHH)3(OB)	133.3840	0.000	1	133.3840	0.000	1	133.3840	0.000	1	133.3840	0.000	1	137.5301	125.719	29	137.5301	125.719	29
893	610	992	0:SP3_SP3_SP3	O	B	P	4:4:	3:3:2:1:	3:3:2:1:	B-4:P-4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:H-1:	O(BC[6a]2H)(PC[6a]2H)	B(C[6a]C[6a]2)2(OP)(H)	P(C[6a]C[6a]2)2(OB)(H)	O(BC[6a]2H)(PC[6a]2H)	B(C[6a]C[6a]2)2(OP)(H)	P(C[6a]C[6a]2)2(OB)(H)	117.5290	0.000	1	117.5290	0.000	1	117.5290	0.000	1	121.2700	27.990	2	137.5301	125.719	29	137.5301	125.719	29
893	610	992	0:SP3_SP3_SP3	O	B	P	4:4:	3:3:2:1:	3:3:2:1:	B-4:P-4:	C[6a]-3:N[6]-3:O-2:H-1:	C[6a]-3:C[6a]-3:O-2:O-1:	O(BC[6a]N[6]H)(PC[6a]2O)	B(C[6a]C[6a]2)(N[6]C[6]2)(OP)(H)	P(C[6a]C[6a]2)2(OB)(O)	O(BC[6a]N[6]H)(PC[6a]2O)	B(C[6a]C[6a]2)(N[6]C[6]2)(OP)(H)	P(C[6a]C[6a]2)2(OB)(O)	125.0110	0.000	1	125.0110	0.000	1	125.0110	0.000	1	121.2700	27.990	2	137.5301	125.719	29	137.5301	125.719	29
893	610	992	0:SP3_SP3_SP3	O	B	P	4:4:	3:3:2:1:	3:4:4:2:	B-4:P-4:	C[6a]-3:C[6a]-3:O-2:H-1:	C[6a]-3:C-4:C-4:O-2:	O(BC[6a]2H)(PC[6a]CC)	B(C[6a]C[6a]2)2(OP)(H)	P(C[6a]C[6a]2)(CC3)2(OB)	O(BC[6a]2H)(PC[6a]CC)	B(C[6a]C[6a]2)2(OP)(H)	P(C[6a]C[6a]2)(CC3)2(OB)	137.9390	0.610	2	137.9390	0.372	2	137.9390	0.372	2	137.9390	0.372	2	137.5301	125.719	29	137.5301	125.719	29
893	610	992	0:SP3_SP3_SP3	O	B	P	4:4:	3:3:2:2:	3:2:2:2:	B-4:P-4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[5a]-3:O-2:O-2:O-2:	O(BC[6a]2O)(PC[5a]OO)	B(C[6a]C[6a]2)2(OP)2	P(C[5a]C[5a]N[5a])(OB)(OC)2	O(BC[6a]2O)(PC[5a]OO)	B(C[6a]C[6a]2)2(OP)2	P(C[5a]C[5a]N[5a])(OB)(OC)2	135.4490	1.235	2	135.4490	1.524	2	134.4350	2.548	4	134.4350	2.548	4	137.5301	125.719	29	137.5301	125.719	29
893	610	992	0:SP3_SP3_SP3	O	B	P	4:4:	3:3:2:2:	3:2:2:2:	B-4:P-4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[5a]-3:O-2:O-2:O-2:	O(BC[6a]2O)(PC[5a]OO)	B(C[6a]C[6a]2)2(OP)2	P(C[5a]C[5a]N[5a])(OB)2(OC)	O(BC[6a]2O)(PC[5a]OO)	B(C[6a]C[6a]2)2(OP)2	P(C[5a]C[5a]N[5a])(OB)2(OC)	133.4210	1.417	2	133.4210	2.008	2	134.4350	2.548	4	134.4350	2.548	4	137.5301	125.719	29	137.5301	125.719	29
893	610	992	0:SP3_SP3_SP3	O	B	P	4:4:	3:3:2:2:	3:3:3:2:	B-4:P-4:	C[6a]-3:C[6a]-3:O-2:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(BC[6a]2O)(PC[6a]3)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)(OC[6a])(OP)	P(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(OB)	O(BC[6a]2O)(PC[6a]3)	B(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)(OC[6a])(OP)	P(C[6a]C[4,6a]C[6a])(C[6a]C[6a]2)2(OB)	147.8300	0.000	1	147.8300	0.000	1	147.8300	0.000	1	147.8300	0.000	1	137.5301	125.719	29	137.5301	125.719	29
893	610	992	0:SP3_SP3_SP3	O	B	P	4:4:	3:3:3:2:	2:2:2:2:	B-4:P-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	N-2:O-2:O-2:O-2:	O(BC[6a]3)(PNOO)	B(C[6a]C[6a]2)3(OP)	P(NC[6])(OB)(OC)2	O(BC[6a]3)(PNOO)	B(C[6a]C[6a]2)3(OP)	P(NC[6])(OB)(OC)2	133.4750	0.000	1	133.4750	0.000	1	133.4750	0.000	1	133.4750	0.000	1	137.5301	125.719	29	137.5301	125.719	29
893	610	992	0:SP3_SP3_SP3	O	B	P	4:4:	3:3:3:2:	3:2:2:2:	B-4:P-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	N-3:O-2:O-2:O-2:	O(BC[6a]3)(PNOO)	B(C[6a]C[6a]2)3(OP)	P(NC[6a]H)(OB)(OC)2	O(BC[6a]3)(PNOO)	B(C[6a]C[6a]2)3(OP)	P(NC[6a]H)(OB)(OC)2	143.2353	2.126	4	143.2353	4.519	4	143.2353	4.519	4	142.4217	4.400	6	137.5301	125.719	29	137.5301	125.719	29
893	610	992	0:SP3_SP3_SP3	O	B	P	4:4:	3:3:3:2:	3:2:2:2:	B-4:P-4:	C[6a]-3:C[6a]-3:N[5a]-3:O-2:	C[5a]-3:O-2:O-2:O-2:	O(BC[6a]2N[5a])(PC[5a]OO)	B(C[6a]C[6a]2)2(N[5a]N[5a]2)(OP)	P(C[5a]C[5a]N[5a])(OB)2(OC)	O(BC[6a]2N[5a])(PC[5a]OO)	B(C[6a]C[6a]2)2(N[5a]N[5a]2)(OP)	P(C[5a]C[5a]N[5a])(OB)2(OC)	140.7945	0.705	2	140.7945	0.497	2	140.7945	0.497	2	142.4217	4.400	6	137.5301	125.719	29	137.5301	125.719	29
893	610	992	0:SP3_SP3_SP3	O	B	P	4:4:	3:3:3:2:	3:3:2:1:	P-4:B-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6]-3:O-2:O-1:	O(PC[6a]N[6]O)(BC[6a]3)	B(C[6a]C[6a]2)3(OP)	P(C[6a]C[6a]2)(N[6]C[6]2)(OB)(O)	O(PC[6a]N[6]O)(BC[6a]3)	B(C[6a]C[6a]2)3(OP)	P(C[6a]C[6a]2)(N[6]C[6]2)(OB)(O)	129.7510	0.000	1	129.7510	0.000	1	129.7510	0.000	1	129.7510	0.000	1	137.5301	125.719	29	137.5301	125.719	29
893	610	992	0:SP3_SP3_SP3	O	B	P	4:4:	3:3:3:2:	3:3:3:2:	B-4:P-4:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	C[5a]-3:C[6a]-3:C[6a]-3:O-2:	O(BC[5a]C[6a]2)(PC[5a]C[6a]2)	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(OP)	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(OB)	O(BC[5a]C[6a]2)(PC[5a]C[6a]2)	B(C[5a]C[5a]2)(C[6a]C[6a]2)2(OP)	P(C[5a]C[5a]2)(C[6a]C[6a]2)2(OB)	130.9628	1.470	5	130.9628	2.161	5	130.9628	2.161	5	138.9103	380.708	6	137.5301	125.719	29	137.5301	125.719	29
893	610	992	0:SP3_SP3_SP3	O	B	P	4:4:	3:3:3:2:	3:3:3:2:	B-4:P-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	O(BC[6a]3)(PC[6a]3)	B(C[6a]C[6a]2)3(OP)	P(C[6a]C[6a]2)3(OB)	O(BC[6a]3)(PC[6a]3)	B(C[6a]C[6a]2)3(OP)	P(C[6a]C[6a]2)3(OB)	178.6480	0.000	1	178.6480	0.000	1	178.6480	0.000	1	138.9103	380.708	6	137.5301	125.719	29	137.5301	125.719	29
893	610	992	0:SP3_SP3_SP3	O	B	P	4:4:	3:3:3:2:	3:4:4:2:	B-4:P-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	N[5]-3:C-4:C-4:O-2:	O(BC[6a]3)(PN[5]CC)	B(C[6a]C[6a]2)3(OP)	P(N[5]C[5]2)(CC3)2(OB)	O(BC[6a]3)(PN[5]CC)	B(C[6a]C[6a]2)3(OP)	P(N[5]C[5]2)(CC3)2(OB)	154.4260	0.000	1	154.4260	0.000	1	154.4260	0.000	1	154.4260	0.000	1	137.5301	125.719	29	137.5301	125.719	29
893	610	992	0:SP3_SP3_SP3	O	B	P	4:4:	3:3:3:2:	4:4:2:1:	B-4:P-4:	C[6a]-3:C[6a]-3:C[6a]-3:O-2:	C-4:C-4:O-2:H-1:	O(BC[6a]3)(PCCH)	B(C[6a]C[6a]2)3(OP)	P(CC3)2(OB)(H)	O(BC[6a]3)(PCCH)	B(C[6a]C[6a]2)3(OP)	P(CC3)2(OB)(H)	139.5610	0.000	1	139.5610	0.000	1	139.5610	0.000	1	139.5610	0.000	1	137.5301	125.719	29	137.5301	125.719	29
893	610	992	0:SP3_SP3_SP3	O	B	P	4:4:	3:3:3:2:	4:4:4:2:	B-4:P-4:	C[6a]-3:C[6a]-3:N-3:O-2:	C-4:C-4:C-4:O-2:	O(BC[6a]2N)(PC3)	B(C[6a]C[6a]2)2(NC[6a]S)(OP)	P(CCHH)3(OB)	O(BC[6a]2N)(PC3)	B(C[6a]C[6a]2)2(NC[6a]S)(OP)	P(CCHH)3(OB)	149.9500	0.000	1	149.9500	0.000	1	149.9500	0.000	1	149.9500	0.000	1	137.5301	125.719	29	137.5301	125.719	29
893	610	992	0:SP3_SP3_SP3	O	B	P	4:4:	3:3:4:2:	3:3:4:2:	B-4:P-4:	C[6a]-3:C[6a]-3:C-4:O-2:	C[6a]-3:C[6a]-3:C-4:O-2:	O(BC[6a]2C)(PC[6a]2C)	B(C[6a]C[6a]2)2(CCHH)(OP)	P(C[6a]C[6a]2)2(CCHH)(OB)	O(BC[6a]2C)(PC[6a]2C)	B(C[6a]C[6a]2)2(CCHH)(OP)	P(C[6a]C[6a]2)2(CCHH)(OB)	129.8560	0.000	1	129.8560	0.000	1	129.8560	0.000	1	129.8560	0.000	1	137.5301	125.719	29	137.5301	125.719	29
893	610	996	0:SP3_SP3_SP3	O	B	Si[4]	4:4:	2:1:1:1:	3:3:3:2:	Si[4]-4:B-4:	O-2:F-1:F-1:F-1:	N[4]-3:N[4]-3:N-3:O-2:	O(Si[4]N[4]2N)(BF3)	B(OSi[4])(F)3	Si[4](N[4]C[4]C)2(NSi2)(OB)	O(Si[4]N[4]2N)(BF3)	B(OSi[4])(F)3	Si[4](N[4]C[4]C)2(NSi2)(OB){1|C<3>}	138.1245	3.454	2	138.1245	11.932	2	138.1245	11.932	2	138.1245	11.932	2	138.1245	11.932	2	138.1245	11.932	2
893	613	613	0:SP2_SP2_SP2	O	Ge[5a]	Ge[5a]	3:3:	3:3:2:	3:3:2:	Ge[5a]-3:Ge[5a]-3:	N[5a]-3:N[5a]-3:O-2:	N[5a]-3:N[5a]-3:O-2:	O(Ge[5a]N[5a]2)2	Ge[5a](N[5a]C[5a]C)2(OGe[5a])	Ge[5a](N[5a]C[5a]C)2(OGe[5a])	O(Ge[5a]N[5a]2)2	Ge[5a](N[5a]C[5a]C)2(OGe[5a]){2|C<3>}	Ge[5a](N[5a]C[5a]C)2(OGe[5a]){2|C<3>}	154.6700	0.331	2	154.6700	0.110	2	154.6700	0.110	2	154.6700	0.110	2	154.6700	0.110	2	154.6700	0.110	2
893	618	643	0:SP2_SP2_SP2	O	B[6]	C[6a]	3:3:	2:2:2:	3:3:2:	C[6a]-3:B[6]-3:	O[6]-2:O[6]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(B[6]O[6]2)	B[6](O[6]C[6])2(OC[6a])	C[6a](C[6a]C[6a]H)2(OB[6])	O(C[6a]C[6a]2)(B[6]O[6]2)	B[6](O[6]C[6])2(OC[6a]){5|C<4>}	C[6a](C[6a]C[6a]H)2(OB[6]){1|C<3>,2|H<1>}	122.3710	0.000	1	122.3710	0.000	1	122.3710	0.000	1	122.3710	0.000	1	128.1660	67.164	2	128.1660	67.164	2
893	618	643	0:SP2_SP2_SP2	O	B[6]	C[6a]	3:3:	3:3:2:	3:3:2:	B[6]-3:C[6a]-3:	C[6]-3:N[6]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(B[6]C[6]N[6])(C[6a]C[6a]2)	B[6](C[6]B[5a]N[6])(N[6]C[6a]C[6])(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OB[6])	O(B[6]C[6]N[6])(C[6a]C[6a]2)	B[6](C[6]B[5a]N[6])(N[6]C[6a]C[6])(OC[6a]){1|C<4>,2|H<1>,3|C<3>,3|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OB[6]){1|C<3>,2|H<1>}	133.9610	0.000	1	133.9610	0.000	1	133.9610	0.000	1	133.9610	0.000	1	128.1660	67.164	2	128.1660	67.164	2
893	618	770	0:SP2_SP2_SP2	O	B[6]	B	3:3:	3:4:2:	3:3:2:	B[6]-3:B-3:	N[6]-3:C[6]-4:O-2:	C[6a]-3:C[6a]-3:O-2:	O(B[6]C[6]N[6])(BC[6a]2)	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(OB)	B(C[6a]C[6a]2)2(OB[6])	O(B[6]C[6]N[6])(BC[6a]2)	B[6](N[6]C[6a]C[6])(C[6]N[6]CH)(OB){1|C<4>,2|H<1>,3|C<3>}	B(C[6a]C[6a]2)2(OB[6])	127.3600	0.000	1	127.3600	0.000	1	127.3600	0.000	1	127.3600	0.000	1	127.3600	0.000	1	127.3600	0.000	1
893	618	874	0:SP2_SP2_SP3	O	B[6]	B[6]	4:3:	3:2:2:	3:2:2:2:	B[6]-4:B[6]-3:	O[6]-3:O[6]-2:O-2:	O[6]-3:O[6]-2:O-2:O-2:	O(B[6]O[6]2O)(B[6]O[6]2)	B[6](O[6]B[6,6]Mg)(O[6]B[6,6])(OB[6])	B[6](O[6]B[6]Mg)(O[6]B[6])(OB[6])2	O(B[6]O[6]2O)(B[6]O[6]2)	B[6](O[6]B[6,6]Mg)(O[6]B[6,6])(OB[6]){1|Mg<9>,5|O<3>}	B[6](O[6]B[6]Mg)(O[6]B[6])(OB[6])2{3|O<2>}	127.8790	0.000	1	127.8790	0.000	1	131.2050	9.123	3	131.2050	9.123	3	131.2050	9.123	3	131.2050	9.123	3
893	618	874	0:SP2_SP2_SP3	O	B[6]	B[6]	4:3:	3:2:2:	3:2:2:2:	B[6]-4:B[6]-3:	O[6]-3:O[6]-2:O-2:	O[6]-3:O[6]-2:O-2:O-2:	O(B[6]O[6]2O)(B[6]O[6]2)	B[6](O[6]B[6,6]Mg)(O[6]B[6])(OB[6])	B[6](O[6]B[6]Mg)(O[6]B[6])(OB[6])(OB)	O(B[6]O[6]2O)(B[6]O[6]2)	B[6](O[6]B[6,6]Mg)(O[6]B[6])(OB[6]){1|Mg<7>,2|O<2>,3|O<3>}	B[6](O[6]B[6]Mg)(O[6]B[6])(OB[6])(OB){3|O<2>}	133.7770	0.000	1	133.7770	0.000	1	131.2050	9.123	3	131.2050	9.123	3	131.2050	9.123	3	131.2050	9.123	3
893	618	874	0:SP2_SP2_SP3	O	B[6]	B[6]	4:3:	3:2:2:	3:2:2:2:	B[6]-4:B[6]-3:	O[6]-3:O[6]-2:O-2:	O[6]-3:O[6]-2:O-2:O-2:	O(B[6]O[6]2O)(B[6]O[6]2)	B[6](O[6]B[6]Mg)(O[6]B[6])(OB[6])	B[6](O[6]B[6]Mg)(O[6]B[6])(OB[6])2	O(B[6]O[6]2O)(B[6]O[6]2)	B[6](O[6]B[6]Mg)(O[6]B[6])(OB[6]){4|O<2>}	B[6](O[6]B[6]Mg)(O[6]B[6])(OB[6])2{3|O<2>}	131.9590	0.000	1	131.9590	0.000	1	131.2050	9.123	3	131.2050	9.123	3	131.2050	9.123	3	131.2050	9.123	3
893	618	880	0:SP2_SP2_SP3	O	B[6]	Si	3:4:	4:2:2:	2:4:4:4:	B[6]-3:Si-4:	C[6]-4:O[6]-2:O-2:	O-2:C-4:C-4:C-4:	O(B[6]C[6]O[6])(SiC3)	B[6](C[6]C[6a]2O[6])(O[6]C[6])(OSi)	Si(OB[6])(CH3)3	O(B[6]C[6]O[6])(SiC3)	B[6](C[6]C[6a]2O[6])(O[6]C[6])(OSi){3|C<4>,4|C<3>}	Si(OB[6])(CH3)3	136.4180	0.000	1	136.4180	0.000	1	136.4180	0.000	1	136.4180	0.000	1	136.4180	0.000	1	136.4180	0.000	1
893	618	951	0:SP2_SP-NON_SP2	O	B[6]	H	3:1:	2:2:2:	2:	B[6]-3:H-1:	O[6]-2:O[6]-2:O-2:	O-2:	O(B[6]O[6]2)(H)	B[6](O[6]B[6,6])2(OH)	H(OB[6])	O(B[6]O[6]2)(H)	B[6](O[6]B[6,6])2(OH){1|O<3>,4|O<2>}	H(OB[6])	109.4615	0.025	2	111.2324	8.122	11	110.7663	6.780	20	110.7663	6.780	20	110.4021	5.274	35	110.4021	5.274	35
893	618	951	0:SP2_SP-NON_SP2	O	B[6]	H	3:1:	2:2:2:	2:	B[6]-3:H-1:	O[6]-2:O[6]-2:O-2:	O-2:	O(B[6]O[6]2)(H)	B[6](O[6]B[6,6])2(OH)	H(OB[6])	O(B[6]O[6]2)(H)	B[6](O[6]B[6,6])2(OH){2|O<2>,3|O<3>}	H(OB[6])	113.5710	3.763	3	111.2324	8.122	11	110.7663	6.780	20	110.7663	6.780	20	110.4021	5.274	35	110.4021	5.274	35
893	618	951	0:SP2_SP-NON_SP2	O	B[6]	H	3:1:	2:2:2:	2:	B[6]-3:H-1:	O[6]-2:O[6]-2:O-2:	O-2:	O(B[6]O[6]2)(H)	B[6](O[6]B[6,6])2(OH)	H(OB[6])	O(B[6]O[6]2)(H)	B[6](O[6]B[6,6])2(OH){2|O<3>,3|O<2>}	H(OB[6])	109.4970	0.021	2	111.2324	8.122	11	110.7663	6.780	20	110.7663	6.780	20	110.4021	5.274	35	110.4021	5.274	35
893	618	951	0:SP2_SP-NON_SP2	O	B[6]	H	3:1:	2:2:2:	2:	B[6]-3:H-1:	O[6]-2:O[6]-2:O-2:	O-2:	O(B[6]O[6]2)(H)	B[6](O[6]B[6,6])2(OH)	H(OB[6])	O(B[6]O[6]2)(H)	B[6](O[6]B[6,6])2(OH){5|O<2>}	H(OB[6])	111.2315	2.840	4	111.2324	8.122	11	110.7663	6.780	20	110.7663	6.780	20	110.4021	5.274	35	110.4021	5.274	35
893	618	951	0:SP2_SP-NON_SP2	O	B[6]	H	3:1:	2:2:2:	2:	B[6]-3:H-1:	O[6]-2:O[6]-2:O-2:	O-2:	O(B[6]O[6]2)(H)	B[6](O[6]B[6,6a])(O[6]B[6,6])(OH)	H(OB[6])	O(B[6]O[6]2)(H)	B[6](O[6]B[6,6a])(O[6]B[6,6])(OH){5|O<2>}	H(OB[6])	109.4850	0.025	2	109.4850	0.001	2	110.7663	6.780	20	110.7663	6.780	20	110.4021	5.274	35	110.4021	5.274	35
893	618	951	0:SP2_SP-NON_SP2	O	B[6]	H	3:1:	2:2:2:	2:	B[6]-3:H-1:	O[6]-2:O[6]-2:O-2:	O-2:	O(B[6]O[6]2)(H)	B[6](O[6]B[6,6a])2(OH)	H(OB[6])	O(B[6]O[6]2)(H)	B[6](O[6]B[6,6a])2(OH){5|O<2>}	H(OB[6])	109.4950	0.047	3	109.4950	0.002	3	110.7663	6.780	20	110.7663	6.780	20	110.4021	5.274	35	110.4021	5.274	35
893	618	951	0:SP2_SP-NON_SP2	O	B[6]	H	3:1:	2:2:2:	2:	B[6]-3:H-1:	O[6]-2:O[6]-2:O-2:	O-2:	O(B[6]O[6]2)(H)	B[6](O[6]B[6])2(OH)	H(OB[6])	O(B[6]O[6]2)(H)	B[6](O[6]B[6])2(OH){1|O<3>,2|C<3>,2|O<2>}	H(OB[6])	116.2520	0.000	1	111.0787	12.230	4	110.7663	6.780	20	110.7663	6.780	20	110.4021	5.274	35	110.4021	5.274	35
893	618	951	0:SP2_SP-NON_SP2	O	B[6]	H	3:1:	2:2:2:	2:	B[6]-3:H-1:	O[6]-2:O[6]-2:O-2:	O-2:	O(B[6]O[6]2)(H)	B[6](O[6]B[6])2(OH)	H(OB[6])	O(B[6]O[6]2)(H)	B[6](O[6]B[6])2(OH){1|O<3>,3|O<2>}	H(OB[6])	109.0550	0.684	2	111.0787	12.230	4	110.7663	6.780	20	110.7663	6.780	20	110.4021	5.274	35	110.4021	5.274	35
893	618	951	0:SP2_SP-NON_SP2	O	B[6]	H	3:1:	2:2:2:	2:	B[6]-3:H-1:	O[6]-2:O[6]-2:O-2:	O-2:	O(B[6]O[6]2)(H)	B[6](O[6]B[6])2(OH)	H(OB[6])	O(B[6]O[6]2)(H)	B[6](O[6]B[6])2(OH){2|O<2>,3|O<3>}	H(OB[6])	109.9530	0.000	1	111.0787	12.230	4	110.7663	6.780	20	110.7663	6.780	20	110.4021	5.274	35	110.4021	5.274	35
893	618	951	0:SP2_SP-NON_SP2	O	B[6]	H	3:1:	3:3:2:	2:	B[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:	O-2:	O(B[6]C[6,6a]2)(H)	B[6](C[6,6a]C[6,6a]C[6a])2(OH)	H(OB[6])	O(B[6]C[6,6a]2)(H)	B[6](C[6,6a]C[6,6a]C[6a])2(OH){1|B<3>,1|F<1>,1|H<1>,4|C<3>}	H(OB[6])	109.4125	0.021	2	109.4432	0.003	6	109.4432	0.003	6	109.4499	0.002	8	110.4021	5.274	35	110.4021	5.274	35
893	618	951	0:SP2_SP-NON_SP2	O	B[6]	H	3:1:	3:3:2:	2:	B[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:	O-2:	O(B[6]C[6,6a]2)(H)	B[6](C[6,6a]C[6,6a]C[6a])2(OH)	H(OB[6])	O(B[6]C[6,6a]2)(H)	B[6](C[6,6a]C[6,6a]C[6a])2(OH){1|B<3>,2|H<1>,4|C<3>}	H(OB[6])	109.4150	0.028	2	109.4432	0.003	6	109.4432	0.003	6	109.4499	0.002	8	110.4021	5.274	35	110.4021	5.274	35
893	618	951	0:SP2_SP-NON_SP2	O	B[6]	H	3:1:	3:3:2:	2:	B[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:	O-2:	O(B[6]C[6,6a]2)(H)	B[6](C[6,6a]C[6,6a]C[6a])2(OH)	H(OB[6])	O(B[6]C[6,6a]2)(H)	B[6](C[6,6a]C[6,6a]C[6a])2(OH){1|Br<1>,1|B<3>,1|H<1>,4|C<3>}	H(OB[6])	109.5310	0.000	1	109.4432	0.003	6	109.4432	0.003	6	109.4499	0.002	8	110.4021	5.274	35	110.4021	5.274	35
893	618	951	0:SP2_SP-NON_SP2	O	B[6]	H	3:1:	3:3:2:	2:	B[6]-3:H-1:	C[6,6a]-3:C[6,6a]-3:O-2:	O-2:	O(B[6]C[6,6a]2)(H)	B[6](C[6,6a]C[6,6a]C[6a])2(OH)	H(OB[6])	O(B[6]C[6,6a]2)(H)	B[6](C[6,6a]C[6,6a]C[6a])2(OH){1|C<4>,2|F<1>,4|C<3>}	H(OB[6])	109.4730	0.000	1	109.4432	0.003	6	109.4432	0.003	6	109.4499	0.002	8	110.4021	5.274	35	110.4021	5.274	35
893	618	951	0:SP2_SP-NON_SP2	O	B[6]	H	3:1:	3:3:2:	2:	B[6]-3:H-1:	C[6,6a]-3:N[5,6]-3:O-2:	O-2:	O(B[6]C[6,6a]N[5,6])(H)	B[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]N[5])(OH)	H(OB[6])	O(B[6]C[6,6a]N[5,6])(H)	B[6](C[6,6a]C[6,6a]C[6a])(N[5,6]C[5,6,6]N[5])(OH){1|B<3>,1|H<1>,2|C<4>,4|C<3>}	H(OB[6])	109.4840	0.000	1	109.4840	0.000	1	109.4840	0.000	1	109.4499	0.002	8	110.4021	5.274	35	110.4021	5.274	35
893	618	951	0:SP2_SP-NON_SP2	O	B[6]	H	3:1:	3:3:2:	2:	B[6]-3:H-1:	C[6,6a]-3:N[6]-3:O-2:	O-2:	O(B[6]C[6,6a]N[6])(H)	B[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(OH)	H(OB[6])	O(B[6]C[6,6a]N[6])(H)	B[6](C[6,6a]C[6,6a]C[6a])(N[6]C[6a]C[6])(OH){1|H<1>,1|N<3>,1|S<1>,4|C<3>}	H(OB[6])	109.4560	0.000	1	109.4560	0.000	1	109.4560	0.000	1	109.4499	0.002	8	110.4021	5.274	35	110.4021	5.274	35
893	618	951	0:SP2_SP-NON_SP2	O	B[6]	H	3:1:	4:2:2:	2:	B[6]-3:H-1:	C[6,6]-4:O[6]-2:O-2:	O-2:	O(B[6]C[6,6]O[6])(H)	B[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(OH)	H(OB[6])	O(B[6]C[6,6]O[6])(H)	B[6](C[6,6]C[6,6]C[6]H)(O[6]C[6])(OH){1|C<3>,3|C<4>,4|H<1>}	H(OB[6])	116.3450	0.000	1	116.3450	0.000	1	116.3450	0.000	1	116.3450	0.000	1	110.4021	5.274	35	110.4021	5.274	35
893	618	951	0:SP2_SP-NON_SP2	O	B[6]	H	3:1:	4:4:2:	2:	B[6]-3:H-1:	C[5,6]-4:C[5,6]-4:O-2:	O-2:	O(B[6]C[5,6]2)(H)	B[6](C[5,6]C[5,6]C[5]Fe)2(OH)	H(OB[6])	O(B[6]C[5,6]2)(H)	B[6](C[5,6]C[5,6]C[5]Fe)2(OH){1|B<3>,2|H<1>,4|C<4>}	H(OB[6])	109.4675	0.028	6	109.4675	0.001	6	109.4675	0.001	6	109.4675	0.001	6	110.4021	5.274	35	110.4021	5.274	35
893	638	930	0:SP2_SP-NON_SP2	O	I[5]	C	3:3:	3:2:2:	2:4:1:	I[5]-3:C-3:	C[5,6a]-3:O[5]-2:O-2:	O-2:C-4:O-1:	O(I[5]C[5,6a]O[5])(CCO)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OC)	C(OI[5])(CF3)(O)	O(I[5]C[5,6a]O[5])(CCO)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]B[5])(OC){1|H<1>,1|O<2>,2|C<3>}	C(OI[5])(CF3)(O)	110.4757	0.158	3	110.4757	0.025	3	111.4898	4.130	4	111.4898	4.130	4	111.4898	4.130	4	111.4898	4.130	4
893	638	930	0:SP2_SP-NON_SP2	O	I[5]	C	3:3:	3:2:2:	2:4:1:	I[5]-3:C-3:	C[5,6a]-3:O[5]-2:O-2:	O-2:C-4:O-1:	O(I[5]C[5,6a]O[5])(CCO)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC)	C(OI[5])(CF3)(O)	O(I[5]C[5,6a]O[5])(CCO)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OC){1|H<1>,2|C<3>,2|C<4>}	C(OI[5])(CF3)(O)	114.5320	0.000	1	114.5320	0.000	1	111.4898	4.130	4	111.4898	4.130	4	111.4898	4.130	4	111.4898	4.130	4
893	638	951	0:SP3_SP-NON_SP-NON	O	I[5]	H	3:1:	3:2:2:	2:	I[5]-3:H-1:	C[5,6a]-3:O[5]-2:O-2:	O-2:	O(I[5]C[5,6a]O[5])(H)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH)	H(OI[5])	O(I[5]C[5,6a]O[5])(H)	I[5](C[5,6a]C[5,6a]C[6a])(O[5]C[5])(OH){1|C<4>,1|N<3>,2|C<3>}	H(OI[5])	109.4800	0.000	1	109.4800	0.000	1	109.4800	0.000	1	109.4800	0.000	1	109.4800	0.000	1	109.4800	0.000	1
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	2:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a])	C[6a](C[6a]C[6a]F)2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a]){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]F)2(OC[6a]){1|C<3>,2|F<1>}	116.9957	1.695	6	116.9957	2.872	6	118.4497	5.658	49	118.4497	5.658	49	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	2:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	119.0780	0.000	1	118.6526	5.780	43	118.4497	5.658	49	118.4497	5.658	49	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	2:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	118.7750	0.000	1	118.6526	5.780	43	118.4497	5.658	49	118.4497	5.658	49	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	2:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|O<2>}	116.5922	0.599	12	118.6526	5.780	43	118.4497	5.658	49	118.4497	5.658	49	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	2:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a]){1|Cl<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|O<2>,2|C<3>}	118.6945	0.292	2	118.6526	5.780	43	118.4497	5.658	49	118.4497	5.658	49	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	2:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a]){1|Cl<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	120.5350	0.000	1	118.6526	5.780	43	118.4497	5.658	49	118.4497	5.658	49	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	2:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a]){1|Cl<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|O<2>}	122.2053	1.401	4	118.6526	5.780	43	118.4497	5.658	49	118.4497	5.658	49	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	2:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a]){1|Cl<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|O<2>,2|C<3>}	117.4788	1.674	8	118.6526	5.780	43	118.4497	5.658	49	118.4497	5.658	49	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	2:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a])2(OC[6a]){1|N<2>,1|N<3>,1|O<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	119.8947	2.409	14	118.6526	5.780	43	118.4497	5.658	49	118.4497	5.658	49	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	2:3:2:	2:3:2:	C[6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:O-2:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]N[6a])2	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a]){1|C<4>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a]){1|C<4>,2|C<3>}	117.4750	0.000	1	117.4750	0.000	1	117.4750	0.000	1	117.4750	0.000	1	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	2:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[5a,6a])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	116.0770	0.000	1	116.0770	0.000	1	118.1392	1.583	18	118.0831	2.289	39	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	2:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]C)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	117.4480	0.000	1	117.4480	0.000	1	118.1392	1.583	18	118.0831	2.289	39	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	2:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	118.2037	0.726	4	118.2037	0.527	4	118.1392	1.583	18	118.0831	2.289	39	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	2:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	119.2800	0.000	1	119.2800	0.000	1	118.1392	1.583	18	118.0831	2.289	39	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	2:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]N)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]N)2(OC[6a]){1|C<3>,2|H<1>}	115.8310	0.000	1	115.8310	0.000	1	118.1392	1.583	18	118.0831	2.289	39	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	2:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(OC[6a]){2|C<3>}	C[6a](C[6a]C[6a]C)2(OC[6a]){1|C<3>,2|H<1>}	118.8710	0.000	1	118.8710	0.000	1	118.1392	1.583	18	118.0831	2.289	39	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	2:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(OC[6a])	C[6a](C[6a]C[6a]F)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(OC[6a]){2|C<3>}	C[6a](C[6a]C[6a]F)2(OC[6a]){1|C<3>,2|F<1>}	116.7600	0.000	1	116.7600	0.000	1	118.1392	1.583	18	118.0831	2.289	39	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	2:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(OC[6a]){2|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	118.6780	1.146	8	118.6780	1.312	8	118.1392	1.583	18	118.0831	2.289	39	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	2:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5,6a])(N[6a]C[6a]2)(OC[6a]){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	121.3030	0.000	1	121.3030	0.000	1	117.9624	3.039	20	118.0831	2.289	39	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	2:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	117.6090	0.000	1	117.6090	0.000	1	117.9624	3.039	20	118.0831	2.289	39	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	2:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a]){1|N<3>,1|O<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	119.0795	3.516	2	118.3068	3.801	6	117.9624	3.039	20	118.0831	2.289	39	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	2:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	117.9720	0.000	1	118.3068	3.801	6	117.9624	3.039	20	118.0831	2.289	39	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	2:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	117.9033	1.556	3	118.3068	3.801	6	117.9624	3.039	20	118.0831	2.289	39	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	2:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a]){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	120.4770	0.000	1	118.2607	2.606	7	117.9624	3.039	20	118.0831	2.289	39	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	2:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a]){1|C<3>,1|N<3>,1|O<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	116.4460	0.892	2	118.2607	2.606	7	117.9624	3.039	20	118.0831	2.289	39	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	2:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a]){1|C<3>,1|O<1>,1|S<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	117.8900	0.062	2	118.2607	2.606	7	117.9624	3.039	20	118.0831	2.289	39	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	2:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]C)(OC[6a]){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	119.3380	0.860	2	118.2607	2.606	7	117.9624	3.039	20	118.0831	2.289	39	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	2:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	116.5160	0.000	1	116.5342	0.073	5	117.9624	3.039	20	118.0831	2.289	39	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	2:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	116.6900	0.371	2	116.5342	0.073	5	117.9624	3.039	20	118.0831	2.289	39	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	2:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[6a]-2:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](N[6a]C[6a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	116.3875	0.248	2	116.5342	0.073	5	117.9624	3.039	20	118.0831	2.289	39	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	2:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	O[6a]-2:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]O[6a])(C[6a]C[6a]2)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]O[6a])(C[6a]C[6a]2)	C[6a](O[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a]){1|O<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	119.4870	0.000	1	119.4870	0.000	1	119.4870	0.000	1	118.0831	2.289	39	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	O(C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	118.1500	0.000	1	118.1500	0.000	1	117.8430	0.188	2	117.8430	0.188	2	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6a])	O(C[6a]C[6a]N[6a])2	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	117.5360	0.000	1	117.5360	0.000	1	117.8430	0.188	2	117.8430	0.188	2	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	117.4580	0.000	1	117.4580	0.000	1	117.9137	0.502	3	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]C[6a])(OC[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	117.5530	0.000	1	117.5530	0.000	1	117.9137	0.502	3	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OC[6a])	C[6a](C[6a]C[6a]C)2(OC[6a])	O(C[6a]C[6a,6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(N[6a]N[6a])(OC[6a]){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(OC[6a]){1|C<3>,2|H<1>}	118.7300	0.000	1	118.7300	0.000	1	117.9137	0.502	3	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,2|N<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	119.5540	0.000	1	119.5540	0.000	1	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,1|C<4>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	118.8690	0.000	1	118.8690	0.000	1	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	119.7530	0.478	5	118.3984	1.970	13	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|O<2>}	117.0378	0.532	6	118.3984	1.970	13	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	119.2660	0.000	1	118.3984	1.970	13	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|Cl<1>,1|C<3>,1|H<1>}	118.9210	0.000	1	118.3984	1.970	13	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]Cl)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Cl)2(OC[6a]){1|C<3>,2|H<1>}	116.5340	0.000	1	116.5340	0.000	1	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	120.6225	2.396	4	120.4574	4.441	5	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	119.7970	0.000	1	120.4574	4.441	5	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	117.2075	0.435	2	117.2075	0.189	2	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	119.1640	0.000	1	119.1640	0.000	1	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|C<4>,1|O<2>}	120.6297	3.863	6	119.2358	6.303	29	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	119.6423	2.773	4	119.2358	6.303	29	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	118.9600	1.706	2	119.2358	6.303	29	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	120.4090	0.000	1	119.2358	6.303	29	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|H<1>,2|C<3>}	119.0290	1.018	2	119.2358	6.303	29	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	118.8530	1.583	3	119.2358	6.303	29	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|H<1>,1|N<2>,1|N<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	117.5260	0.000	1	119.2358	6.303	29	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|N<2>,1|O<2>,1|S<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|C<4>,1|O<2>}	118.0355	1.637	4	119.2358	6.303	29	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|N<2>,1|O<2>,1|S<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	118.4495	3.410	4	119.2358	6.303	29	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){3|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	119.5400	1.093	2	119.2358	6.303	29	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]O)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|Cl<1>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]O)2(OC[6a]){1|C<3>,2|H<1>}	117.1840	0.286	2	117.1840	0.082	2	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	117.6690	0.000	1	117.6690	0.000	1	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]O)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	117.6920	0.000	1	117.6920	0.000	1	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]C[6])(N[6a]C[6a])(OC[6a]){1|C<3>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	120.3210	1.021	2	120.3210	1.043	2	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	116.9060	0.000	1	117.8548	0.534	5	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	117.6290	0.240	2	117.8548	0.534	5	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]Cl)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|O<2>,2|C<3>}	118.5550	0.310	2	117.8548	0.534	5	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	118.5517	0.565	3	119.4486	5.741	44	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	120.3260	1.796	2	119.4486	5.741	44	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|C<4>,1|O<2>}	119.5450	0.841	4	119.4486	5.741	44	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	120.5692	3.338	8	119.4486	5.741	44	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|O<2>}	118.3010	2.350	18	119.4486	5.741	44	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|O<2>,2|C<3>}	121.7695	0.807	4	119.4486	5.741	44	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a]){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|C<4>,1|O<2>}	120.6210	0.451	2	119.4486	5.741	44	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a]){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|O<2>}	119.6533	1.519	3	119.4486	5.741	44	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]O)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]O)2(OC[6a]){1|C<3>,2|H<1>}	117.4700	1.769	8	117.5691	2.563	10	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]O)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a]){1|Cl<1>,1|C<3>}	C[6a](C[6a]C[6a]O)2(OC[6a]){1|C<3>,2|H<1>}	117.9655	0.880	2	117.5691	2.563	10	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:2:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-2:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC[6a])	C[6a](C[6a]C[6a]C)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]N[6a]N)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(OC[6a]){1|C<3>,2|H<1>}	116.4670	0.000	1	116.4670	0.000	1	118.9528	4.887	119	118.9272	4.800	122	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a,6a]C[6a])(C[6a]N[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	O(C[6a]C[6a,6a]C[6a])(C[6a]N[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]C)(OC[6a]){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,2|H<1>}	118.3460	0.000	1	118.3460	0.000	1	118.3460	0.000	1	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,2|H<1>}	117.1760	0.000	1	123.3768	30.706	5	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](N[6a]C[6a])2(OC[6a]){1|Cl<1>,1|N<2>,1|O<2>}	124.9270	4.992	4	123.3768	30.706	5	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a])	C[6a](N[6a]N[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](N[6a]N[6a])2(OC[6a]){1|C<3>}	116.6099	1.803	8	116.6099	3.250	8	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]Br)2(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]Br)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(OC[6a]){1|N<2>,2|O<2>}	117.6293	1.342	3	117.6293	1.800	3	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|F<1>,1|H<1>}	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,2|O<2>}	119.7260	0.000	1	119.5501	3.229	20	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[6a]C[6a])2(OC[6a]){1|H<1>,2|C<3>}	121.8970	2.819	2	119.5501	3.229	20	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,2|O<2>}	119.4135	1.943	8	119.5501	3.229	20	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](N[6a]C[6a])2(OC[6a]){1|Cl<1>,1|N<2>,1|N<3>}	119.9520	1.937	2	119.5501	3.229	20	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](N[6a]C[6a])2(OC[6a]){1|N<2>,2|O<2>}	119.5420	0.000	1	119.5501	3.229	20	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,2|H<1>}	118.0095	0.176	2	119.5501	3.229	20	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,2|O<2>}	119.1773	1.459	4	119.5501	3.229	20	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|F<1>}	C[6a](N[6a]C[6a])2(OC[6a]){1|N<2>,2|O<2>}	115.6311	1.302	8	115.6311	1.696	8	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]F)2(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]F)2(OC[6a]){1|C<3>,1|F<1>,1|O<2>}	C[6a](N[6a]C[6a])2(OC[6a]){1|N<2>,2|O<2>}	118.7540	1.344	2	117.8966	3.724	19	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]F)2(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]F)2(OC[6a]){1|C<3>,2|F<1>}	C[6a](N[6a]C[6a])2(OC[6a]){1|N<2>,2|O<2>}	117.7957	1.993	17	117.8966	3.724	19	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](N[6a]C[6a])2(OC[6a]){1|Cl<1>,1|N<2>,1|N<3>}	121.1740	3.999	2	121.1740	15.995	2	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,2|H<1>}	119.6370	0.000	1	117.6801	1.576	12	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|O<2>,2|C<3>}	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,1|N<2>,1|O<2>}	116.9870	0.406	2	117.6801	1.576	12	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|O<2>,2|C<3>}	C[6a](N[6a]C[6a])2(OC[6a]){1|Cl<1>,1|N<2>,1|O<2>}	116.8038	0.189	4	117.6801	1.576	12	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|O<2>,2|C<3>}	C[6a](N[6a]C[6a])2(OC[6a]){1|N<2>,2|O<2>}	118.2670	1.368	5	117.6801	1.576	12	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]C)(OC[6a]){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,2|O<2>}	118.7350	0.000	1	118.7350	0.000	1	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|Br<1>,1|C<3>,1|O<2>}	C[6a](N[6a]C[6a])2(OC[6a]){1|N<2>,1|N<3>,1|O<2>}	118.8190	0.071	2	119.1734	2.709	83	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,2|H<1>}	117.4110	0.000	1	119.1734	2.709	83	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,1|N<2>,1|O<2>}	119.4595	1.400	11	119.1734	2.709	83	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,2|H<1>}	117.0270	0.000	1	119.1734	2.709	83	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](N[6a]C[6a])2(OC[6a]){1|Cl<1>,1|N<2>,1|N<3>}	119.2835	1.544	8	119.1734	2.709	83	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](N[6a]C[6a])2(OC[6a]){1|Cl<1>,1|N<2>,1|O<2>}	118.3661	1.784	21	119.1734	2.709	83	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](N[6a]C[6a])2(OC[6a]){1|N<2>,2|O<2>}	119.9510	1.571	8	119.1734	2.709	83	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|O<2>,1|S<4>}	C[6a](N[6a]C[6a])2(OC[6a]){1|N<2>,2|O<2>}	118.8745	0.585	2	119.1734	2.709	83	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|C<4>}	C[6a](N[6a]C[6a])2(OC[6a]){1|N<2>,2|O<2>}	119.5403	1.628	4	119.1734	2.709	83	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,2|H<1>}	118.0450	0.384	3	119.1734	2.709	83	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(OC[6a]){1|C<3>,2|O<2>}	120.1205	0.361	2	119.1734	2.709	83	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](N[6a]C[6a])2(OC[6a]){1|N<2>,2|O<2>}	119.3961	1.303	18	119.1734	2.709	83	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|O<2>}	C[6a](N[6a]C[6a])2(OC[6a]){1|N<2>,2|O<2>}	123.1395	1.068	2	119.1734	2.709	83	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](N[6a]N[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](N[6a]N[6a])2(OC[6a]){1|C<3>}	118.3810	1.318	22	118.3810	1.738	22	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-2:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OC[6a])	C[6a](N[6a]C[6a])2(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]N[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>}	C[6a](N[6a]C[6a])2(OC[6a]){1|N<2>,2|O<2>}	117.8683	1.106	15	117.8683	1.223	15	118.6655	4.589	198	118.6639	4.566	199	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(OC[6a])	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(OC[6a]){2|C<3>}	117.3130	0.000	1	117.3130	0.000	1	117.3130	0.000	1	117.6977	9.915	20	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6,6a]H)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|N<2>}	122.0010	1.091	5	122.0010	1.190	5	117.6404	11.703	17	117.6977	9.915	20	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(OC[6a]){2|C<3>}	118.7380	0.000	1	118.7380	0.000	1	117.6404	11.703	17	117.6977	9.915	20	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]O)(OC[6a]){2|C<3>}	115.1636	2.192	8	115.1636	4.807	8	117.6404	11.703	17	117.6977	9.915	20	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(OC[6a]){2|C<3>}	116.9330	0.000	1	116.6117	0.152	3	117.6404	11.703	17	117.6977	9.915	20	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](N[6a]C[6a,6a])(C[6a]N[6a]H)(OC[6a]){2|C<3>}	116.4510	0.386	2	116.6117	0.152	3	117.6404	11.703	17	117.6977	9.915	20	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	2:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	N[6a]-2:N[6a]-3:O-2:	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a])	O(C[6a]C[6a]2)(C[6a]N[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](N[6a]C[5a,6a])(N[6a]C[6a]2)(OC[6a]){1|O<1>,4|C<3>}	118.3775	0.139	2	118.3775	0.019	2	118.3775	0.019	2	117.6977	9.915	20	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	O(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[5a,6a]C[5a,6a]N[5a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|S<2>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>,1|N<2>}	118.9985	2.006	16	118.9985	4.025	16	118.9985	4.025	16	117.5689	8.344	71	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	118.8210	0.000	1	118.8210	0.000	1	118.1760	12.188	5	117.5689	8.344	71	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a])	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]N)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	112.3230	0.000	1	112.3230	0.000	1	118.1760	12.188	5	117.5689	8.344	71	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>,1|N<2>}	120.5690	1.564	2	119.9120	2.518	3	118.1760	12.188	5	117.5689	8.344	71	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]N[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|Cl<1>,1|H<1>,1|N<2>}	118.5980	0.000	1	119.9120	2.518	3	118.1760	12.188	5	117.5689	8.344	71	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|H<1>,2|C<3>}	118.6960	0.000	1	118.6960	0.000	1	117.0507	8.714	50	117.5689	8.344	71	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[5a]N[6a])(N[6a]C[6a,6a])(OC[6a]){4|C<3>}	117.4730	0.000	1	117.4730	0.000	1	117.0507	8.714	50	117.5689	8.344	71	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|Cl<1>,1|H<1>,1|N<2>}	120.5405	0.401	2	120.5405	0.161	2	117.0507	8.714	50	117.5689	8.344	71	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	119.3030	1.782	2	119.3030	3.175	2	117.0507	8.714	50	117.5689	8.344	71	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	120.3030	0.000	1	120.3030	0.000	1	117.0507	8.714	50	117.5689	8.344	71	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	119.6000	0.000	1	119.6000	0.000	1	117.0507	8.714	50	117.5689	8.344	71	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]C)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	119.1950	0.000	1	119.1950	0.000	1	117.0507	8.714	50	117.5689	8.344	71	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	117.7290	0.000	1	117.7290	0.000	1	117.0507	8.714	50	117.5689	8.344	71	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	117.4720	0.000	1	119.1640	5.726	2	117.0507	8.714	50	117.5689	8.344	71	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	120.8560	0.000	1	119.1640	5.726	2	117.0507	8.714	50	117.5689	8.344	71	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|O<2>}	117.9351	2.454	10	117.9351	6.022	10	117.0507	8.714	50	117.5689	8.344	71	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|O<2>}	117.9186	0.788	7	117.9186	0.622	7	117.0507	8.714	50	117.5689	8.344	71	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]N[6a])(OC[6a]){1|C<3>,1|H<1>}	115.9410	0.018	2	115.9410	0.000	2	117.0507	8.714	50	117.5689	8.344	71	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	116.0280	0.000	1	116.0280	0.000	1	117.0507	8.714	50	117.5689	8.344	71	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	109.3240	1.531	4	110.0080	4.097	5	117.0507	8.714	50	117.5689	8.344	71	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	112.7440	0.000	1	110.0080	4.097	5	117.0507	8.714	50	117.5689	8.344	71	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	116.6390	0.000	1	116.6390	0.000	1	117.0507	8.714	50	117.5689	8.344	71	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	118.6140	0.000	1	116.8985	1.059	10	117.0507	8.714	50	117.5689	8.344	71	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|O<2>}	115.9520	0.563	2	116.8985	1.059	10	117.0507	8.714	50	117.5689	8.344	71	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]N[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,1|O<2>}	116.9239	0.864	7	116.8985	1.059	10	117.0507	8.714	50	117.5689	8.344	71	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6a])	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(N[6a]C[6a])(OC[6a]){1|C<3>,2|H<1>}	116.8890	0.000	1	116.8890	0.000	1	117.0507	8.714	50	117.5689	8.344	71	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:2:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:N[6a]-2:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC[6a])	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]N[6a]O)(N[6a]C[6a])(OC[6a]){1|C<3>,1|H<1>}	116.2780	0.000	1	116.2780	0.000	1	117.0507	8.714	50	117.5689	8.344	71	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[5,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5,6a]C[5,6a]C[5])(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>,2|N<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	118.6675	1.345	4	118.6675	1.808	4	118.6675	1.808	4	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	118.5710	0.146	2	118.5710	0.021	2	119.2943	0.931	6	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	119.6560	1.011	4	119.6560	1.022	4	119.2943	0.931	6	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6,6a]C[6a])2	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC[6a]){1|B<4>,1|H<1>,2|C<3>}	C[6a](C[6,6a]C[6,6a]O[6])(C[6a]C[6a]H)(OC[6a]){1|B<4>,1|H<1>,2|C<3>}	122.4525	1.316	2	122.4525	1.732	2	122.4525	1.732	2	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]C[6])(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	120.4340	0.839	2	120.4340	0.703	2	118.3680	13.157	3	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6,6a]C[6,6a]N[6])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	114.2360	0.000	1	114.2360	0.000	1	118.3680	13.157	3	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC[6a]){1|N<2>,2|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	118.3920	0.385	2	117.7815	0.651	4	117.7815	0.651	4	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a,6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a,6a]2)(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])2(OC[6a]){2|H<1>,5|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	117.1710	0.560	2	117.7815	0.651	4	117.7815	0.651	4	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,3|C<3>}	119.1960	0.000	2	119.1960	0.000	2	122.1437	42.735	4	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC[6a])	O(C[6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC[6a]){1|H<1>,6|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]2)(OC[6a]){1|H<1>,6|C<3>}	131.9270	0.000	1	131.9270	0.000	1	122.1437	42.735	4	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a,6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a,6a]C[6a])2	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,4|C<3>}	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,4|C<3>}	118.2560	0.000	1	118.2560	0.000	1	122.1437	42.735	4	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)2(OC[6a])	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[3x6a]C[6a])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(OC[6a]){1|C<3>,2|H<1>}	119.6350	0.829	2	119.6350	0.687	2	118.6427	2.521	38	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	117.1600	0.000	1	117.1600	0.000	1	118.6427	2.521	38	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	116.7015	2.218	2	118.9815	3.512	8	118.6427	2.521	38	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6,6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	119.7415	1.077	6	118.9815	3.512	8	118.6427	2.521	38	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)2(OC[6a])	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)(OC[6a]){5|C<3>}	C[6a](C[6a]C[6a]C)2(OC[6a]){1|C<3>,2|H<1>}	120.2085	0.477	2	120.2085	0.228	2	118.6427	2.521	38	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[3x6a])(C[6a]C[6,6a]H)(OC[6a]){5|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	118.8560	1.000	2	118.8560	1.000	2	118.6427	2.521	38	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	122.1050	0.000	1	122.1050	0.000	1	118.6427	2.521	38	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)2(OC[6a])	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)2(OC[6a]){1|C<3>,2|H<1>}	117.5860	0.899	2	117.5860	0.809	2	118.6427	2.521	38	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]F)2(OC[6a])	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]F)2(OC[6a]){1|C<3>,2|F<1>}	119.1240	0.000	1	119.1240	0.000	1	118.6427	2.521	38	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	118.2815	2.114	2	117.7002	3.359	4	118.6427	2.521	38	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	117.1190	2.063	2	117.7002	3.359	4	118.6427	2.521	38	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|N<3>,3|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	118.7865	0.312	4	118.7920	0.676	9	118.6427	2.521	38	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|S<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	117.3650	0.000	1	118.7920	0.676	9	118.6427	2.521	38	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	120.2000	0.000	1	118.7920	0.676	9	118.6427	2.521	38	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|Se<2>,1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	118.1550	0.000	1	118.7920	0.676	9	118.6427	2.521	38	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	119.1310	0.679	2	118.7920	0.676	9	118.6427	2.521	38	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	115.5975	1.183	2	115.5975	1.399	2	118.6427	2.521	38	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]F)2(OC[6a])	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]F)2(OC[6a]){1|C<3>,2|F<1>}	119.7830	0.000	1	119.7830	0.000	1	118.6427	2.521	38	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]N[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	117.9895	0.325	2	117.9895	0.105	2	118.6427	2.521	38	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a,6a]C[6a])(C[6a]C[6a]2)	C[6a](C[6a,6a]C[6a,6a]O[6a])(C[6a]C[6a]O)(OC[6a]){1|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	118.7230	0.000	1	118.7230	0.000	1	118.6427	2.521	38	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	119.0680	1.316	4	119.0680	1.732	4	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	119.9460	0.000	1	121.4823	1.808	3	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	122.0550	0.000	1	121.4823	1.808	3	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	122.4460	0.000	1	121.4823	1.808	3	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]C)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)2(OC[6a]){1|C<3>,2|H<1>}	116.8950	0.000	1	117.9750	1.627	8	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]C)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(OC[6a]){1|C<3>,2|H<1>}	118.1293	1.295	7	117.9750	1.627	8	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]C)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5,6a]O)(C[6a]C[6a]O)(OC[6a]){1|C<4>,2|C<3>}	C[6a](C[6a]C[6a]C)2(OC[6a]){1|C<3>,1|C<4>,1|O<2>}	113.5180	0.000	1	113.5180	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]2)(OC[6a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	117.4985	0.298	2	117.4985	0.089	2	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	118.0400	1.325	2	118.0400	1.756	2	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	114.6683	2.211	4	114.9159	3.591	8	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	115.1635	1.824	4	114.9159	3.591	8	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]C)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)2(OC[6a]){1|C<3>,2|H<1>}	117.4865	1.539	4	117.4865	2.367	4	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	117.7027	1.993	8	117.7027	3.971	8	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]Pd)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[5a,6a]Pd)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]Pd)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]Pd)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	123.3910	0.686	2	123.3910	0.470	2	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]Pt)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[5a,6a]Pt)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]Pt)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[5a,6a]Pt)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	125.4140	0.000	1	125.4140	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]Pt)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a,6a]Pt)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	124.4383	1.053	3	124.4383	1.108	3	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	112.7950	0.000	1	111.7697	0.817	3	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	111.2570	0.240	2	111.7697	0.817	3	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	116.2040	0.000	1	116.2040	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(OC[6a]){2|H<1>,3|C<3>}	114.2590	0.000	1	114.2590	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	109.1480	0.000	1	112.5427	8.951	3	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC[6a]){1|C<2>,1|H<1>,3|C<3>}	114.2400	0.785	2	112.5427	8.951	3	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6]C[6a])(C[6a]C[6a]H)(OC[6a]){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6a](C[6a]N[6,6]C[6a])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,3|C<4>}	122.9480	0.000	1	122.9480	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]F)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]C)(C[6a]C[6a]F)(OC[6a]){1|C<2>,1|C<3>,1|N<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	116.5090	0.000	1	116.5090	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	115.2340	0.000	1	115.2340	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	115.4460	0.000	1	115.4460	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|F<1>,1|H<1>}	119.0165	0.889	2	119.0165	0.790	2	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]O)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6,6a]H)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]O)2(OC[6a]){1|C<3>,2|H<1>}	117.8060	0.000	1	117.8060	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	116.7910	0.000	1	116.7910	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	121.9235	2.775	2	121.9235	7.703	2	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	118.1650	0.647	4	118.1650	0.418	4	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[5,6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	116.8350	0.316	4	116.8350	0.100	4	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	119.7835	2.406	2	119.7835	5.790	2	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]F)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]F)2(OC[6a]){1|C<3>,2|F<1>}	119.0233	1.136	4	118.8887	1.145	6	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]F)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]F)2(OC[6a]){1|N<2>,2|F<1>}	118.6195	1.279	2	118.8887	1.145	6	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]C[6a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,4|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	117.4220	0.964	4	117.4220	0.929	4	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]2)(OC[6a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	120.3310	0.068	2	120.3310	0.005	2	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	118.6180	0.000	1	118.6180	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	120.7530	0.000	1	120.7530	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]O[6a]O)(OC[6a]){2|C<3>}	118.4595	0.395	2	118.4595	0.156	2	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a]){1|O<2>,2|C<3>}	119.8240	0.000	1	119.8240	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]F)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]F)2(OC[6a]){1|N<2>,2|F<1>}	119.2415	2.010	2	119.2415	4.041	2	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	118.6180	0.000	1	118.6180	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	120.6220	0.235	3	120.0516	0.685	5	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	119.1960	0.434	2	120.0516	0.685	5	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	118.9980	0.000	1	118.9980	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]F)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]I)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]F)2(OC[6a]){1|N<2>,2|F<1>}	119.2430	0.000	1	119.2430	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a,6a]S)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	118.2015	0.603	2	118.2015	0.364	2	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>,2|N<2>}	119.8720	0.000	1	117.9835	23.158	6	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	117.6058	5.280	5	117.9835	23.158	6	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	116.9830	0.000	1	116.9830	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]F)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]F)2(OC[6a]){1|N<2>,2|F<1>}	119.9600	0.000	1	119.9600	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>,2|N<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	121.4735	0.583	2	121.4735	0.340	2	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]N[6a])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	110.4600	0.000	1	110.4600	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Bi)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	114.9590	0.000	1	114.9590	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]C)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	118.6940	0.000	1	118.6940	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	119.3435	1.073	2	119.3435	1.151	2	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]Br)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Br)2(OC[6a]){1|C<3>,2|H<1>}	115.6700	0.000	1	115.6700	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	119.1780	0.000	1	118.5525	0.783	2	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Br)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	117.9270	0.000	1	118.5525	0.783	2	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Br)2(OC[6a])	C[6a](C[6a]C[6a]Br)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Br)2(OC[6a]){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]Br)2(OC[6a]){2|Br<1>,1|C<3>}	120.8550	0.115	2	120.8550	0.013	2	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Br)2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Br)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	117.7175	0.565	2	117.7433	0.963	4	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Br)2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Br)2(OC[6a]){2|Br<1>,1|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	117.7690	1.602	2	117.7433	0.963	4	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]2)(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	119.3170	0.392	2	119.3170	0.153	2	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	119.5990	0.000	1	119.6406	14.847	21	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	114.3420	0.000	1	119.6406	14.847	21	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	120.1184	4.038	17	119.6406	14.847	21	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	117.9310	0.000	1	119.6406	14.847	21	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|O<2>}	118.5690	0.000	1	119.6406	14.847	21	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	115.1683	2.920	3	116.6838	14.871	4	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a]){1|O<2>,2|C<3>}	121.2300	0.000	1	116.6838	14.871	4	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]S)(OC[6a]){1|C<3>,2|H<1>}	118.4790	0.000	1	118.4790	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(OC[6a]){1|C<3>,2|H<1>}	116.6140	0.000	1	116.9370	0.209	2	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|O<2>}	C[6a](C[6a]C[6a]C)2(OC[6a]){1|C<3>,2|O<2>}	117.2600	0.000	1	116.9370	0.209	2	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	119.5940	0.000	1	114.2637	14.084	26	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,1|F<1>,1|H<1>}	117.0120	0.494	2	114.2637	14.084	26	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	117.6785	0.344	4	114.2637	14.084	26	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	117.3500	0.259	2	114.2637	14.084	26	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	112.4602	3.418	17	114.2637	14.084	26	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	118.7020	2.908	2	118.7020	8.454	2	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a]){1|C<3>,1|C<4>}	115.6665	0.250	2	116.5878	15.214	5	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a]){1|C<3>,1|H<1>}	117.3900	0.000	1	116.5878	15.214	5	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a]){1|C<3>,1|N<3>}	122.4890	0.000	1	116.5878	15.214	5	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]N)(OC[6a]){1|C<3>,1|H<1>}	111.7270	0.000	1	116.5878	15.214	5	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	119.6850	0.000	1	118.5891	2.422	38	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	117.6655	0.477	2	118.5891	2.422	38	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	117.4529	0.833	7	118.5891	2.422	38	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	118.5030	0.007	2	118.5891	2.422	38	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	119.7590	0.000	1	118.5891	2.422	38	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	119.9880	0.000	1	118.5891	2.422	38	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	118.3197	1.009	3	118.5891	2.422	38	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	118.2200	0.000	1	118.5891	2.422	38	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	119.5274	1.242	8	118.5891	2.422	38	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	118.7300	0.000	1	118.5891	2.422	38	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	119.2745	1.101	2	118.5891	2.422	38	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	120.6770	1.311	2	118.5891	2.422	38	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){3|C<3>}	116.7380	0.000	1	118.5891	2.422	38	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|N<2>,1|O<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	118.9680	0.000	1	118.5891	2.422	38	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	118.9417	0.471	3	118.5891	2.422	38	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|H<1>,2|C<3>}	112.8840	0.000	1	118.5891	2.422	38	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|N<2>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	118.9990	0.000	1	118.5891	2.422	38	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a]){1|Cl<1>,1|C<3>,1|C<4>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]C)(OC[6a]){1|C<3>,1|C<4>,1|O<2>}	113.8670	0.000	1	113.8670	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	118.9430	1.034	2	118.3726	0.971	5	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a]){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	117.2860	0.000	1	118.3726	0.971	5	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]C[6a]O)(OC[6a]){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	118.3455	0.991	2	118.3726	0.971	5	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C)(C[6a]N[6a]O)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|Cl<1>,1|C<2>,1|C<3>}	115.4880	0.000	1	115.4880	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[3])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]N[3])(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|C<4>,2|H<1>}	113.1860	0.264	2	113.1860	0.070	2	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|F<1>,2|C<4>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	119.6910	0.557	2	119.6910	0.310	2	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[4])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]N[4])(C[6a]C[6a]H)(OC[6a]){1|C<4>,2|C<3>,2|H<1>}	117.2237	1.118	3	117.2237	1.250	3	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|C<4>,2|H<1>}	118.3150	4.941	3	117.5149	11.492	11	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a]){1|C<4>,2|C<3>,2|H<1>}	115.6305	0.800	2	117.5149	11.492	11	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|C<4>,2|H<1>}	124.2640	0.000	1	117.5149	11.492	11	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[5])(C[6a]C[6a]H)(OC[6a]){1|N<3>,2|C<3>,3|H<1>}	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|C<4>,2|H<1>}	116.4388	1.129	5	117.5149	11.492	11	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|C<4>,2|H<1>}	114.3610	0.000	1	121.0480	89.432	2	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]C[6])(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|N<3>,3|H<1>}	C[6a](C[6a]C[6a]N[6])(C[6a]C[6a]H)(OC[6a]){1|C<4>,2|C<3>,2|H<1>}	127.7350	0.000	1	121.0480	89.432	2	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|C<4>}	117.3595	0.165	2	118.0313	1.300	6	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	117.5830	0.000	1	118.0313	1.300	6	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	119.4330	0.000	1	118.0313	1.300	6	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|N<2>,2|H<1>}	119.5170	0.000	1	118.0313	1.300	6	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|N<2>,2|H<1>}	116.9360	0.000	1	118.0313	1.300	6	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]C)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(OC[6a]){1|C<3>,2|H<1>}	119.0810	0.000	1	119.0810	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	117.2530	0.000	1	117.2530	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|F<1>,1|H<1>}	118.2600	0.000	1	118.6403	0.609	7	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	118.3942	0.670	4	118.6403	0.609	7	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|H<1>,2|C<3>}	119.3225	0.995	2	118.6403	0.609	7	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6a]){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6a]){2|Cl<1>,1|C<3>}	122.2540	0.000	1	122.2540	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]Cl)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Cl)(C[6a]C[6a]O)(OC[6a]){1|Cl<1>,1|C<3>,1|O<2>}	C[6a](C[6a]C[6a]Cl)2(OC[6a]){2|Cl<1>,1|C<3>}	116.5500	0.000	1	116.5500	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	119.8859	1.022	7	118.7704	2.218	31	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	118.3072	0.439	4	118.7704	2.218	31	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	118.4727	1.595	20	118.7704	2.218	31	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)2(OC[6a]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	118.3870	0.457	3	118.4037	1.433	6	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)2(OC[6a]){1|N<2>,2|F<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	118.4203	1.836	3	118.4037	1.433	6	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)2(OC[6a])	C[6a](C[6a]C[6a]O)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]F)2(OC[6a]){1|C<3>,2|F<1>}	C[6a](C[6a]C[6a]O)2(OC[6a]){1|C<3>,2|H<1>}	119.7860	2.663	2	119.7860	7.091	2	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]C)(OC[6a]){1|H<1>,2|C<3>}	111.6560	0.000	1	111.6560	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a,6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	119.0178	1.328	4	119.0178	1.762	4	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	116.3580	0.000	1	114.2433	2.651	4	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	114.1670	0.000	1	114.2433	2.651	4	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	113.2240	1.182	2	114.2433	2.651	4	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	118.4184	4.341	14	118.4184	18.842	14	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	117.2774	0.806	16	117.2605	0.734	20	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	117.1930	1.180	4	117.2605	0.734	20	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6a]){1|C<3>,2|H<1>}	121.2830	0.000	1	121.2830	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	119.6697	1.177	3	117.6789	2.033	44	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|C<4>,1|O<2>}	115.6308	0.878	4	117.6789	2.033	44	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	117.1379	1.149	10	117.6789	2.033	44	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	118.5662	0.874	6	117.6789	2.033	44	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|O<2>}	116.8260	0.260	3	117.6789	2.033	44	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	117.9914	1.278	17	117.6789	2.033	44	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){3|C<3>}	117.2310	0.000	1	117.6789	2.033	44	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC[6a]){1|O<2>,2|C<3>}	116.0204	0.844	16	116.0204	0.712	16	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]Br)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Br)2(OC[6a]){1|C<3>,2|H<1>}	118.1120	0.942	2	118.1120	0.887	2	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	118.3012	1.864	5	118.3012	3.473	5	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]C)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(OC[6a]){1|C<3>,2|H<1>}	119.7798	1.245	4	119.7798	1.550	4	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]Cl)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]Cl)2(OC[6a]){1|C<3>,2|H<1>}	117.8820	0.796	2	117.8820	0.634	2	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	115.3350	0.000	1	115.3350	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|Br<1>,1|C<3>,1|H<1>}	121.6260	0.000	1	119.5924	4.053	11	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	116.0590	0.000	1	119.5924	4.053	11	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|C<4>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	118.2930	0.000	1	119.5924	4.053	11	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|H<1>,2|C<3>}	119.9423	1.742	8	119.5924	4.053	11	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	117.8257	1.354	6	116.4929	7.479	32	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|H<1>,2|C<3>}	117.9940	0.966	2	116.4929	7.479	32	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){3|C<3>}	116.9045	0.416	2	116.4929	7.479	32	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	114.1383	2.818	12	116.4929	7.479	32	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	116.7440	0.000	1	116.4929	7.479	32	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	117.5672	1.284	6	116.4929	7.479	32	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	120.0320	2.203	2	116.4929	7.479	32	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|C<2>}	119.1500	0.000	1	116.4929	7.479	32	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]N[6a]Cl)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]Cl)2(OC[6a]){1|C<3>}	118.0210	0.000	1	118.0210	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]N)(C[6a]N[6a]O)(OC[6a]){1|C<3>}	117.3630	0.000	1	117.3630	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a])	C[6a](C[6a]N[6a]O)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]O)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]N[6a]O)2(OC[6a]){1|C<3>,1|H<1>}	115.3245	0.121	2	115.3245	0.015	2	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	117.3870	0.000	1	117.9914	2.720	108	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a]){1|C<3>,2|H<1>}	117.9970	1.656	107	117.9914	2.720	108	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]P)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	118.8950	0.000	1	118.8950	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6a])	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6a]){1|Br<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	117.0485	0.378	2	117.0485	0.143	2	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6a]){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	119.3770	0.000	1	117.9987	2.708	9	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]C[6a]S)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	117.8264	1.670	8	117.9987	2.708	9	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC[6a])	C[6a](C[6a]C[6a]F)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]F)2(OC[6a]){1|C<3>,2|F<1>}	119.1360	0.000	1	119.1360	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	117.8670	0.000	1	118.0245	0.050	2	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC[6a]){1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	118.1820	0.000	1	118.0245	0.050	2	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]C)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]C)2(OC[6a]){1|C<3>,2|H<1>}	118.7225	0.104	2	118.7225	0.011	2	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	118.1630	0.000	1	118.7086	3.388	256	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	120.7090	0.000	1	118.7086	3.388	256	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	118.0025	0.979	4	118.7086	3.388	256	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	119.9884	1.583	13	118.7086	3.388	256	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|O<2>}	120.2035	1.776	4	118.7086	3.388	256	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<2>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){3|C<3>}	118.0320	0.000	1	118.7086	3.388	256	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	120.2600	0.000	1	118.7086	3.388	256	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	117.5536	0.794	5	118.7086	3.388	256	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|N<2>}	117.5767	1.751	3	118.7086	3.388	256	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|F<1>,1|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	119.4710	1.980	2	118.7086	3.388	256	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|N<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	118.7090	0.636	4	118.7086	3.388	256	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	118.9750	1.586	6	118.7086	3.388	256	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	118.8880	1.831	3	118.7086	3.388	256	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|H<1>,1|O<2>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	119.3825	0.606	2	118.7086	3.388	256	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|C<4>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	115.3400	0.000	1	118.7086	3.388	256	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	118.4707	1.831	169	118.7086	3.388	256	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|O<2>}	119.5714	2.390	12	118.7086	3.388	256	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|H<1>,2|C<3>}	119.3740	1.377	5	118.7086	3.388	256	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|O<2>,2|C<3>}	118.9847	1.371	8	118.7086	3.388	256	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){3|C<3>}	117.4540	0.000	1	118.7086	3.388	256	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|Cl<1>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	119.5180	0.000	1	118.7086	3.388	256	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|H<1>,2|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|H<1>,2|C<3>}	117.1275	1.568	2	118.7086	3.388	256	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|Ir<6>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	120.9016	1.718	5	118.7086	3.388	256	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|Pt<4>,1|C<3>,1|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	117.9230	0.000	1	118.7086	3.388	256	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){3|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){3|C<3>}	121.8640	0.000	1	118.7086	3.388	256	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]N)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N)2(OC[6a]){1|C<3>,2|H<1>}	117.8890	0.943	3	117.8890	0.890	3	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]O)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]O)2(OC[6a]){1|C<3>,2|H<1>}	117.0905	0.151	2	118.1721	2.782	25	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]O)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)2(OC[6a]){1|C<3>,2|H<1>}	117.2910	1.038	2	118.1721	2.782	25	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a])	C[6a](C[6a]C[6a]O)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]O)2(OC[6a]){1|C<3>,2|O<2>}	118.3590	1.747	21	118.1721	2.782	25	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Ir)(C[6a]C[6a]H)(OC[6a]){1|O<2>,2|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	117.0090	1.535	4	117.0090	2.357	4	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]N[6a]H)(OC[6a]){1|C<3>,1|H<1>}	115.1620	0.000	1	115.1620	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|O<2>,3|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	117.2805	0.669	4	117.4335	1.141	12	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5])(C[6a]C[6a]H)(OC[6a]){2|H<1>,3|C<3>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	117.5100	1.257	8	117.4335	1.141	12	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(OC[6a])	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]F)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]Cl)(OC[6a]){1|C<4>,1|H<1>,3|C<3>}	C[6a](C[6a]C[5a]C[6a])(C[6a]C[6a]F)(OC[6a]){1|N<3>,2|C<3>,2|H<1>}	110.6590	0.000	1	110.6590	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6a](C[6a]C[6a]N[5a])(C[6a]C[6a]H)(OC[6a]){1|N<2>,2|C<3>,2|H<1>}	121.8180	0.000	1	121.8180	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<4>,1|O<1>,1|O<2>}	120.6640	0.000	1	120.6640	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6a](C[6a]C[6a]Pd)(C[6a]C[6a]H)(OC[6a]){1|H<1>,2|C<3>}	121.8420	0.000	1	121.8420	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Pt)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	114.4400	0.000	1	114.4400	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(OC[6a])	O(C[6a]C[6a]2)2	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	C[6a](C[6a]C[6a]Te)(C[6a]C[6a]H)(OC[6a]){1|C<3>,2|H<1>}	120.5000	0.000	1	120.5000	0.000	1	118.0734	5.946	908	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	C[6a]-3:N[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]N[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)2(OC[6a])	O(C[6a]C[6a]N[6a])(C[6a]C[6a]2)	C[6a](C[6a]C[6a]C)(N[6a]N[6a]H)(OC[6a]){1|C<3>,1|O<1>}	C[6a](C[6a]C[6a]H)2(OC[6a]){1|C<3>,2|H<1>}	118.4460	0.000	1	118.4460	0.000	1	118.4460	0.000	1	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474
893	643	643	0:SP2_SP2_SP2	O	C[6a]	C[6a]	3:3:	3:3:2:	3:3:2:	C[6a]-3:C[6a]-3:	N[5a,6a]-3:C[6a]-3:O-2:	C[6a]-3:C[6a]-3:O-2:	O(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6a])	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a])	O(C[6a]N[5a,6a]C[6a])(C[6a]C[6a]2)	C[6a](N[5a,6a]C[5a,6a]C[5a])(C[6a]C[6a]H)(OC[6a]){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6a](C[6a]C[6a]H)(C[6a]C[6a]N)(OC[6a]){1|C<3>,2|H<1>}	117.8640	0.000	1	117.8640	0.000	1	117.8640	0.000	1	118.1314	5.958	971	118.2446	5.799	1474	118.2446	5.799	1474